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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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/3-oncomiR-1-b1e82e97/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3-oncomiR-1-b1e82e97/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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1327.103343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.103343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.010809 (E_RNA)
where:
Base-Base interactions energy: -919.118
where: short stacking energy: -351.130
Base-Backbone interact. energy: -0.570
local terms energy: -510.322326
where:
bonds (distance) C4'-P energy: -121.954
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -105.445
flat angles P-C4'-P energy: -46.141
tors. eta vs tors. theta energy: -100.487
Dist. restrs. and SS energy: 102.907 (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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1264.602520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.602520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.399881 (E_RNA)
where:
Base-Base interactions energy: -863.323
where: short stacking energy: -380.249
Base-Backbone interact. energy: -0.385
local terms energy: -520.691673
where:
bonds (distance) C4'-P energy: -132.702
bonds (distance) P-C4' energy: -115.825
flat angles C4'-P-C4' energy: -106.061
flat angles P-C4'-P energy: -62.797
tors. eta vs tors. theta energy: -103.306
Dist. restrs. and SS energy: 119.797 (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: 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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1588.800833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.800833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.157211 (E_RNA)
where:
Base-Base interactions energy: -1106.426
where: short stacking energy: -437.987
Base-Backbone interact. energy: -0.907
local terms energy: -533.824390
where:
bonds (distance) C4'-P energy: -129.863
bonds (distance) P-C4' energy: -103.373
flat angles C4'-P-C4' energy: -130.830
flat angles P-C4'-P energy: -62.762
tors. eta vs tors. theta energy: -106.996
Dist. restrs. and SS energy: 52.356 (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: 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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1414.183110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.183110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.416830 (E_RNA)
where:
Base-Base interactions energy: -965.526
where: short stacking energy: -381.957
Base-Backbone interact. energy: -1.188
local terms energy: -527.703174
where:
bonds (distance) C4'-P energy: -121.726
bonds (distance) P-C4' energy: -130.999
flat angles C4'-P-C4' energy: -95.646
flat angles P-C4'-P energy: -65.136
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 80.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1810.417371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.417371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.004888 (E_RNA)
where:
Base-Base interactions energy: -1251.490
where: short stacking energy: -524.310
Base-Backbone interact. energy: -0.941
local terms energy: -593.573094
where:
bonds (distance) C4'-P energy: -113.191
bonds (distance) P-C4' energy: -114.322
flat angles C4'-P-C4' energy: -139.273
flat angles P-C4'-P energy: -76.729
tors. eta vs tors. theta energy: -150.058
Dist. restrs. and SS energy: 35.588 (S_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: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1651.083426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.083426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.603425 (E_RNA)
where:
Base-Base interactions energy: -1166.379
where: short stacking energy: -447.072
Base-Backbone interact. energy: 0.175
local terms energy: -539.398990
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -116.431
flat angles C4'-P-C4' energy: -119.178
flat angles P-C4'-P energy: -86.289
tors. eta vs tors. theta energy: -123.779
Dist. restrs. and SS energy: 54.520 (S_DIST_RNA)
chem. 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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1913.708944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.708944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.343120 (E_RNA)
where:
Base-Base interactions energy: -1306.088
where: short stacking energy: -504.062
Base-Backbone interact. energy: 0.185
local terms energy: -665.439585
where:
bonds (distance) C4'-P energy: -153.174
bonds (distance) P-C4' energy: -141.842
flat angles C4'-P-C4' energy: -150.657
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -127.613
Dist. restrs. and SS energy: 57.634 (S_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: 6
Temperature: 0.950000
Total energy: -1907.057595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.057595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.587337 (E_RNA)
where:
Base-Base interactions energy: -1276.727
where: short stacking energy: -536.000
Base-Backbone interact. energy: -1.109
local terms energy: -668.751751
where:
bonds (distance) C4'-P energy: -152.335
bonds (distance) P-C4' energy: -135.342
flat angles C4'-P-C4' energy: -152.672
flat angles P-C4'-P energy: -86.488
tors. eta vs tors. theta energy: -141.914
Dist. restrs. and SS energy: 39.530 (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: 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: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1959.073470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.073470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.717614 (E_RNA)
where:
Base-Base interactions energy: -1385.005
where: short stacking energy: -587.982
Base-Backbone interact. energy: -1.570
local terms energy: -603.141870
where:
bonds (distance) C4'-P energy: -104.760
bonds (distance) P-C4' energy: -110.107
flat angles C4'-P-C4' energy: -140.726
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -171.386
Dist. restrs. and SS energy: 30.644 (S_DIST_RNA)
chem. 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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1741.525009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.199220 (E_RNA)
where:
Base-Base interactions energy: -1203.993
where: short stacking energy: -489.556
Base-Backbone interact. energy: -2.456
local terms energy: -578.749838
where:
bonds (distance) C4'-P energy: -103.256
bonds (distance) P-C4' energy: -127.991
flat angles C4'-P-C4' energy: -119.253
flat angles P-C4'-P energy: -77.901
tors. eta vs tors. theta energy: -150.349
Dist. restrs. and SS energy: 43.674 (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: 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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -2001.548463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.548463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.353931 (E_RNA)
where:
Base-Base interactions energy: -1387.539
where: short stacking energy: -548.339
Base-Backbone interact. energy: -0.865
local terms energy: -654.949198
where:
bonds (distance) C4'-P energy: -134.279
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -148.776
flat angles P-C4'-P energy: -101.166
tors. eta vs tors. theta energy: -147.502
Dist. restrs. and SS energy: 41.805 (S_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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1948.744008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.744008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.768260 (E_RNA)
where:
Base-Base interactions energy: -1365.217
where: short stacking energy: -524.991
Base-Backbone interact. energy: 0.787
local terms energy: -604.338029
where:
bonds (distance) C4'-P energy: -128.191
bonds (distance) P-C4' energy: -135.089
flat angles C4'-P-C4' energy: -133.802
flat angles P-C4'-P energy: -67.384
tors. eta vs tors. theta energy: -139.872
Dist. restrs. and SS energy: 20.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1943.399313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.399313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.850158 (E_RNA)
where:
Base-Base interactions energy: -1334.747
where: short stacking energy: -527.574
Base-Backbone interact. energy: -1.193
local terms energy: -637.910802
where:
bonds (distance) C4'-P energy: -115.652
bonds (distance) P-C4' energy: -146.892
flat angles C4'-P-C4' energy: -130.374
flat angles P-C4'-P energy: -87.465
tors. eta vs tors. theta energy: -157.527
Dist. restrs. and SS energy: 30.451 (S_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: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1863.183991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.183991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.494170 (E_RNA)
where:
Base-Base interactions energy: -1271.078
where: short stacking energy: -498.430
Base-Backbone interact. energy: -1.237
local terms energy: -619.178679
where:
bonds (distance) C4'-P energy: -133.963
bonds (distance) P-C4' energy: -120.261
flat angles C4'-P-C4' energy: -127.658
flat angles P-C4'-P energy: -85.181
tors. eta vs tors. theta energy: -152.116
Dist. restrs. and SS energy: 28.310 (S_DIST_RNA)
chem. 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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -2060.475976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.475976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.583619 (E_RNA)
where:
Base-Base interactions energy: -1392.426
where: short stacking energy: -541.104
Base-Backbone interact. energy: -4.418
local terms energy: -694.740030
where:
bonds (distance) C4'-P energy: -134.909
bonds (distance) P-C4' energy: -149.834
flat angles C4'-P-C4' energy: -149.044
flat angles P-C4'-P energy: -112.245
tors. eta vs tors. theta energy: -148.707
Dist. restrs. and SS energy: 31.108 (S_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: 8
Temperature: 1.000000
Total energy: -2086.859133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.859133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.721618 (E_RNA)
where:
Base-Base interactions energy: -1436.595
where: short stacking energy: -588.804
Base-Backbone interact. energy: -1.950
local terms energy: -676.176693
where:
bonds (distance) C4'-P energy: -133.904
bonds (distance) P-C4' energy: -126.410
flat angles C4'-P-C4' energy: -150.748
flat angles P-C4'-P energy: -92.175
tors. eta vs tors. theta energy: -172.940
Dist. restrs. and SS energy: 27.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1853.170736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.170736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.322110 (E_RNA)
where:
Base-Base interactions energy: -1260.978
where: short stacking energy: -492.111
Base-Backbone interact. energy: -1.824
local terms energy: -623.519666
where:
bonds (distance) C4'-P energy: -142.100
bonds (distance) P-C4' energy: -140.746
flat angles C4'-P-C4' energy: -119.355
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -136.092
Dist. restrs. and SS energy: 33.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1907.301403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.301403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.818274 (E_RNA)
where:
Base-Base interactions energy: -1315.348
where: short stacking energy: -511.703
Base-Backbone interact. energy: -2.269
local terms energy: -624.201850
where:
bonds (distance) C4'-P energy: -127.358
bonds (distance) P-C4' energy: -123.391
flat angles C4'-P-C4' energy: -142.052
flat angles P-C4'-P energy: -74.456
tors. eta vs tors. theta energy: -156.945
Dist. restrs. and SS energy: 34.517 (S_DIST_RNA)
chem. 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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1585.118146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.118146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.979316 (E_RNA)
where:
Base-Base interactions energy: -1110.255
where: short stacking energy: -448.247
Base-Backbone interact. energy: -2.030
local terms energy: -521.694370
where:
bonds (distance) C4'-P energy: -100.603
bonds (distance) P-C4' energy: -115.356
flat angles C4'-P-C4' energy: -103.534
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -130.621
Dist. restrs. and SS energy: 48.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1513.147660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.147660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.931832 (E_RNA)
where:
Base-Base interactions energy: -1057.105
where: short stacking energy: -405.390
Base-Backbone interact. energy: -1.008
local terms energy: -512.818951
where:
bonds (distance) C4'-P energy: -125.937
bonds (distance) P-C4' energy: -106.888
flat angles C4'-P-C4' energy: -98.948
flat angles P-C4'-P energy: -52.651
tors. eta vs tors. theta energy: -128.396
Dist. restrs. and SS energy: 57.784 (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: 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: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -2208.439129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.439129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.428781 (E_RNA)
where:
Base-Base interactions energy: -1517.508
where: short stacking energy: -626.521
Base-Backbone interact. energy: -1.913
local terms energy: -710.008053
where:
bonds (distance) C4'-P energy: -146.465
bonds (distance) P-C4' energy: -148.591
flat angles C4'-P-C4' energy: -144.573
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -186.543
Dist. restrs. and SS energy: 20.990 (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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -2032.351223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.351223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.371868 (E_RNA)
where:
Base-Base interactions energy: -1412.895
where: short stacking energy: -567.324
Base-Backbone interact. energy: -0.533
local terms energy: -636.943114
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -138.638
flat angles C4'-P-C4' energy: -134.998
flat angles P-C4'-P energy: -84.665
tors. eta vs tors. theta energy: -139.435
Dist. restrs. and SS energy: 18.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -2045.420748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.420748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.891585 (E_RNA)
where:
Base-Base interactions energy: -1427.266
where: short stacking energy: -540.433
Base-Backbone interact. energy: -1.409
local terms energy: -644.216588
where:
bonds (distance) C4'-P energy: -126.827
bonds (distance) P-C4' energy: -118.303
flat angles C4'-P-C4' energy: -144.411
flat angles P-C4'-P energy: -96.332
tors. eta vs tors. theta energy: -158.343
Dist. restrs. and SS energy: 27.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1762.378326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.378326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.218517 (E_RNA)
where:
Base-Base interactions energy: -1233.581
where: short stacking energy: -489.513
Base-Backbone interact. energy: 1.062
local terms energy: -565.699895
where:
bonds (distance) C4'-P energy: -123.747
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -104.993
flat angles P-C4'-P energy: -85.009
tors. eta vs tors. theta energy: -131.778
Dist. restrs. and SS energy: 35.840 (S_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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1678.111485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.111485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.691999 (E_RNA)
where:
Base-Base interactions energy: -1152.417
where: short stacking energy: -452.246
Base-Backbone interact. energy: -1.205
local terms energy: -563.069739
where:
bonds (distance) C4'-P energy: -125.893
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -122.818
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -116.854
Dist. restrs. and SS energy: 38.581 (S_DIST_RNA)
chem. 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: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1500.568991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.568991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.980524 (E_RNA)
where:
Base-Base interactions energy: -1059.846
where: short stacking energy: -410.235
Base-Backbone interact. energy: -1.374
local terms energy: -496.760357
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -94.853
flat angles C4'-P-C4' energy: -115.214
flat angles P-C4'-P energy: -65.834
tors. eta vs tors. theta energy: -115.684
Dist. restrs. and SS energy: 57.412 (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: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2287.147530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.147530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.796026 (E_RNA)
where:
Base-Base interactions energy: -1589.643
where: short stacking energy: -669.302
Base-Backbone interact. energy: -1.362
local terms energy: -714.790810
where:
bonds (distance) C4'-P energy: -138.027
bonds (distance) P-C4' energy: -143.947
flat angles C4'-P-C4' energy: -157.411
flat angles P-C4'-P energy: -95.737
tors. eta vs tors. theta energy: -179.668
Dist. restrs. and SS energy: 18.648 (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: 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: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2083.874925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.874925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.589820 (E_RNA)
where:
Base-Base interactions energy: -1469.658
where: short stacking energy: -568.798
Base-Backbone interact. energy: 4.510
local terms energy: -648.442475
where:
bonds (distance) C4'-P energy: -113.427
bonds (distance) P-C4' energy: -130.843
flat angles C4'-P-C4' energy: -149.360
flat angles P-C4'-P energy: -97.919
tors. eta vs tors. theta energy: -156.893
Dist. restrs. and SS energy: 29.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1966.508829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.508829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.923881 (E_RNA)
where:
Base-Base interactions energy: -1378.117
where: short stacking energy: -536.687
Base-Backbone interact. energy: -2.444
local terms energy: -604.363153
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -137.032
flat angles C4'-P-C4' energy: -130.695
flat angles P-C4'-P energy: -84.296
tors. eta vs tors. theta energy: -143.724
Dist. restrs. and SS energy: 18.415 (S_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: 10
Temperature: 1.100000
Total energy: -1962.549304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.549304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.632037 (E_RNA)
where:
Base-Base interactions energy: -1372.604
where: short stacking energy: -540.257
Base-Backbone interact. energy: -1.796
local terms energy: -615.232397
where:
bonds (distance) C4'-P energy: -108.522
bonds (distance) P-C4' energy: -134.644
flat angles C4'-P-C4' energy: -140.488
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -144.097
Dist. restrs. and SS energy: 27.083 (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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1752.572359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.572359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.153671 (E_RNA)
where:
Base-Base interactions energy: -1235.845
where: short stacking energy: -486.336
Base-Backbone interact. energy: -1.104
local terms energy: -560.204286
where:
bonds (distance) C4'-P energy: -103.589
bonds (distance) P-C4' energy: -130.900
flat angles C4'-P-C4' energy: -135.690
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -132.631
Dist. restrs. and SS energy: 44.581 (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: 10
Temperature: 1.200000
Total energy: -1836.746979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.746979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.846211 (E_RNA)
where:
Base-Base interactions energy: -1281.074
where: short stacking energy: -507.361
Base-Backbone interact. energy: 1.650
local terms energy: -590.421797
where:
bonds (distance) C4'-P energy: -119.995
bonds (distance) P-C4' energy: -124.136
flat angles C4'-P-C4' energy: -110.886
flat angles P-C4'-P energy: -87.576
tors. eta vs tors. theta energy: -147.829
Dist. restrs. and SS energy: 33.099 (S_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: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1598.498440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.498440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.552542 (E_RNA)
where:
Base-Base interactions energy: -1123.327
where: short stacking energy: -444.583
Base-Backbone interact. energy: 0.278
local terms energy: -521.503661
where:
bonds (distance) C4'-P energy: -103.668
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -117.298
flat angles P-C4'-P energy: -79.812
tors. eta vs tors. theta energy: -108.824
Dist. restrs. and SS energy: 46.054 (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: 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: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -2269.888568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.888568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.481716 (E_RNA)
where:
Base-Base interactions energy: -1577.235
where: short stacking energy: -623.470
Base-Backbone interact. energy: -2.468
local terms energy: -707.779684
where:
bonds (distance) C4'-P energy: -138.147
bonds (distance) P-C4' energy: -132.491
flat angles C4'-P-C4' energy: -154.001
flat angles P-C4'-P energy: -109.801
tors. eta vs tors. theta energy: -173.339
Dist. restrs. and SS energy: 17.593 (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: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2207.411015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.411015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.304903 (E_RNA)
where:
Base-Base interactions energy: -1536.668
where: short stacking energy: -617.633
Base-Backbone interact. energy: -1.303
local terms energy: -694.333802
where:
bonds (distance) C4'-P energy: -135.619
bonds (distance) P-C4' energy: -140.894
flat angles C4'-P-C4' energy: -152.628
flat angles P-C4'-P energy: -92.637
tors. eta vs tors. theta energy: -172.556
Dist. restrs. and SS energy: 24.894 (S_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: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2084.172165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.974654 (E_RNA)
where:
Base-Base interactions energy: -1457.694
where: short stacking energy: -587.428
Base-Backbone interact. energy: -1.805
local terms energy: -648.476541
where:
bonds (distance) C4'-P energy: -141.213
bonds (distance) P-C4' energy: -132.637
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -69.273
tors. eta vs tors. theta energy: -175.226
Dist. restrs. and SS energy: 23.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -2011.007894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.007894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.545988 (E_RNA)
where:
Base-Base interactions energy: -1416.811
where: short stacking energy: -547.497
Base-Backbone interact. energy: -0.647
local terms energy: -617.088476
where:
bonds (distance) C4'-P energy: -113.969
bonds (distance) P-C4' energy: -130.818
flat angles C4'-P-C4' energy: -132.000
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -158.229
Dist. restrs. and SS energy: 23.538 (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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1812.539302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.539302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.517175 (E_RNA)
where:
Base-Base interactions energy: -1274.224
where: short stacking energy: -528.156
Base-Backbone interact. energy: -1.996
local terms energy: -572.297652
where:
bonds (distance) C4'-P energy: -128.283
bonds (distance) P-C4' energy: -128.531
flat angles C4'-P-C4' energy: -111.377
flat angles P-C4'-P energy: -62.870
tors. eta vs tors. theta energy: -141.236
Dist. restrs. and SS energy: 35.978 (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: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1780.884930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.884930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.112360 (E_RNA)
where:
Base-Base interactions energy: -1247.786
where: short stacking energy: -493.487
Base-Backbone interact. energy: -0.368
local terms energy: -572.958268
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -121.191
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -93.517
tors. eta vs tors. theta energy: -122.766
Dist. restrs. and SS energy: 40.227 (S_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: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1719.018387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.018387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.363601 (E_RNA)
where:
Base-Base interactions energy: -1240.722
where: short stacking energy: -503.510
Base-Backbone interact. energy: -1.211
local terms energy: -509.430898
where:
bonds (distance) C4'-P energy: -89.425
bonds (distance) P-C4' energy: -120.726
flat angles C4'-P-C4' energy: -97.838
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -140.198
Dist. restrs. and SS energy: 32.345 (S_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: -2262.733720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.733720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.739432 (E_RNA)
where:
Base-Base interactions energy: -1579.085
where: short stacking energy: -611.395
Base-Backbone interact. energy: -1.371
local terms energy: -701.283650
where:
bonds (distance) C4'-P energy: -138.257
bonds (distance) P-C4' energy: -146.566
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -105.114
tors. eta vs tors. theta energy: -161.520
Dist. restrs. and SS energy: 19.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2230.965976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.965976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.925062 (E_RNA)
where:
Base-Base interactions energy: -1555.366
where: short stacking energy: -624.181
Base-Backbone interact. energy: 0.045
local terms energy: -694.604428
where:
bonds (distance) C4'-P energy: -140.535
bonds (distance) P-C4' energy: -142.200
flat angles C4'-P-C4' energy: -146.608
flat angles P-C4'-P energy: -88.594
tors. eta vs tors. theta energy: -176.668
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: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -2188.022465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.022465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.636160 (E_RNA)
where:
Base-Base interactions energy: -1533.025
where: short stacking energy: -596.723
Base-Backbone interact. energy: 0.145
local terms energy: -671.755961
where:
bonds (distance) C4'-P energy: -136.188
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -140.996
flat angles P-C4'-P energy: -83.843
tors. eta vs tors. theta energy: -176.895
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: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2061.784196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.784196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.739740 (E_RNA)
where:
Base-Base interactions energy: -1476.260
where: short stacking energy: -581.924
Base-Backbone interact. energy: -0.052
local terms energy: -619.427848
where:
bonds (distance) C4'-P energy: -104.525
bonds (distance) P-C4' energy: -128.432
flat angles C4'-P-C4' energy: -134.554
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -163.259
Dist. restrs. and SS energy: 33.956 (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: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2088.662194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.662194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.435503 (E_RNA)
where:
Base-Base interactions energy: -1473.662
where: short stacking energy: -563.967
Base-Backbone interact. energy: -1.501
local terms energy: -629.273022
where:
bonds (distance) C4'-P energy: -120.227
bonds (distance) P-C4' energy: -121.956
flat angles C4'-P-C4' energy: -141.579
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -166.229
Dist. restrs. and SS energy: 15.773 (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: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1813.697427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.697427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.512878 (E_RNA)
where:
Base-Base interactions energy: -1277.101
where: short stacking energy: -527.248
Base-Backbone interact. energy: -2.324
local terms energy: -580.087529
where:
bonds (distance) C4'-P energy: -118.296
bonds (distance) P-C4' energy: -128.815
flat angles C4'-P-C4' energy: -115.331
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -144.844
Dist. restrs. and SS energy: 45.815 (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: 12
Temperature: 1.200000
Total energy: -1804.952762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.952762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.491005 (E_RNA)
where:
Base-Base interactions energy: -1264.323
where: short stacking energy: -528.541
Base-Backbone interact. energy: -1.402
local terms energy: -572.766238
where:
bonds (distance) C4'-P energy: -110.319
bonds (distance) P-C4' energy: -110.663
flat angles C4'-P-C4' energy: -119.402
flat angles P-C4'-P energy: -72.499
tors. eta vs tors. theta energy: -159.883
Dist. restrs. and SS energy: 33.538 (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: 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: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1759.186595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.186595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.200484 (E_RNA)
where:
Base-Base interactions energy: -1254.055
where: short stacking energy: -504.135
Base-Backbone interact. energy: -0.590
local terms energy: -543.555522
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -97.072
flat angles C4'-P-C4' energy: -96.795
flat angles P-C4'-P energy: -83.144
tors. eta vs tors. theta energy: -146.280
Dist. restrs. and SS energy: 39.014 (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: 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: -2234.118549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.118549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.089224 (E_RNA)
where:
Base-Base interactions energy: -1582.664
where: short stacking energy: -599.510
Base-Backbone interact. energy: 0.639
local terms energy: -668.064066
where:
bonds (distance) C4'-P energy: -136.090
bonds (distance) P-C4' energy: -140.860
flat angles C4'-P-C4' energy: -139.139
flat angles P-C4'-P energy: -93.916
tors. eta vs tors. theta energy: -158.060
Dist. restrs. and SS energy: 15.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2269.873404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.873404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.975575 (E_RNA)
where:
Base-Base interactions energy: -1572.503
where: short stacking energy: -622.440
Base-Backbone interact. energy: -0.485
local terms energy: -709.987101
where:
bonds (distance) C4'-P energy: -145.249
bonds (distance) P-C4' energy: -146.152
flat angles C4'-P-C4' energy: -150.524
flat angles P-C4'-P energy: -94.437
tors. eta vs tors. theta energy: -173.626
Dist. restrs. and SS energy: 13.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -2202.031501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.031501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.713364 (E_RNA)
where:
Base-Base interactions energy: -1531.123
where: short stacking energy: -631.123
Base-Backbone interact. energy: -1.472
local terms energy: -690.117928
where:
bonds (distance) C4'-P energy: -136.314
bonds (distance) P-C4' energy: -137.742
flat angles C4'-P-C4' energy: -141.848
flat angles P-C4'-P energy: -100.261
tors. eta vs tors. theta energy: -173.953
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2173.723806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.723806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.501548 (E_RNA)
where:
Base-Base interactions energy: -1552.310
where: short stacking energy: -614.677
Base-Backbone interact. energy: -0.509
local terms energy: -644.682213
where:
bonds (distance) C4'-P energy: -122.997
bonds (distance) P-C4' energy: -122.826
flat angles C4'-P-C4' energy: -140.155
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -182.776
Dist. restrs. and SS energy: 23.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2008.387557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.387557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.746470 (E_RNA)
where:
Base-Base interactions energy: -1372.089
where: short stacking energy: -550.063
Base-Backbone interact. energy: -0.751
local terms energy: -672.906403
where:
bonds (distance) C4'-P energy: -125.465
bonds (distance) P-C4' energy: -128.926
flat angles C4'-P-C4' energy: -154.738
flat angles P-C4'-P energy: -92.588
tors. eta vs tors. theta energy: -171.189
Dist. restrs. and SS energy: 37.359 (S_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: 13
Temperature: 1.150000
Total energy: -1889.704610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.704610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.020399 (E_RNA)
where:
Base-Base interactions energy: -1301.580
where: short stacking energy: -523.606
Base-Backbone interact. energy: -3.272
local terms energy: -612.168830
where:
bonds (distance) C4'-P energy: -136.422
bonds (distance) P-C4' energy: -118.571
flat angles C4'-P-C4' energy: -134.051
flat angles P-C4'-P energy: -63.553
tors. eta vs tors. theta energy: -159.572
Dist. restrs. and SS energy: 27.316 (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: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1773.100060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.100060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.463461 (E_RNA)
where:
Base-Base interactions energy: -1215.049
where: short stacking energy: -495.803
Base-Backbone interact. energy: -3.503
local terms energy: -594.911652
where:
bonds (distance) C4'-P energy: -120.864
bonds (distance) P-C4' energy: -131.606
flat angles C4'-P-C4' energy: -124.252
flat angles P-C4'-P energy: -78.211
tors. eta vs tors. theta energy: -139.979
Dist. restrs. and SS energy: 40.363 (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: 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: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1774.104907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.104907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.723435 (E_RNA)
where:
Base-Base interactions energy: -1267.120
where: short stacking energy: -495.700
Base-Backbone interact. energy: -0.698
local terms energy: -540.906226
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -100.454
flat angles C4'-P-C4' energy: -119.870
flat angles P-C4'-P energy: -73.638
tors. eta vs tors. theta energy: -143.065
Dist. restrs. and SS energy: 34.619 (S_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: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2360.689359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.689359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.606800 (E_RNA)
where:
Base-Base interactions energy: -1657.468
where: short stacking energy: -647.480
Base-Backbone interact. energy: -0.987
local terms energy: -710.151813
where:
bonds (distance) C4'-P energy: -141.030
bonds (distance) P-C4' energy: -143.305
flat angles C4'-P-C4' energy: -136.821
flat angles P-C4'-P energy: -102.322
tors. eta vs tors. theta energy: -186.674
Dist. restrs. and SS energy: 7.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2192.522865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.522865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.823946 (E_RNA)
where:
Base-Base interactions energy: -1519.216
where: short stacking energy: -620.283
Base-Backbone interact. energy: -3.897
local terms energy: -684.710661
where:
bonds (distance) C4'-P energy: -129.846
bonds (distance) P-C4' energy: -129.859
flat angles C4'-P-C4' energy: -150.008
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: -178.141
Dist. restrs. and SS energy: 15.301 (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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2222.046245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.046245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.386524 (E_RNA)
where:
Base-Base interactions energy: -1556.398
where: short stacking energy: -628.646
Base-Backbone interact. energy: -1.362
local terms energy: -682.626394
where:
bonds (distance) C4'-P energy: -123.762
bonds (distance) P-C4' energy: -125.628
flat angles C4'-P-C4' energy: -151.186
flat angles P-C4'-P energy: -93.830
tors. eta vs tors. theta energy: -188.221
Dist. restrs. and SS energy: 18.340 (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: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2234.591532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.591532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.125234 (E_RNA)
where:
Base-Base interactions energy: -1567.990
where: short stacking energy: -612.764
Base-Backbone interact. energy: -3.472
local terms energy: -679.663912
where:
bonds (distance) C4'-P energy: -127.800
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -130.255
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -195.256
Dist. restrs. and SS energy: 16.534 (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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2024.383049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.383049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.012174 (E_RNA)
where:
Base-Base interactions energy: -1419.809
where: short stacking energy: -582.803
Base-Backbone interact. energy: 2.040
local terms energy: -640.243440
where:
bonds (distance) C4'-P energy: -114.544
bonds (distance) P-C4' energy: -129.006
flat angles C4'-P-C4' energy: -134.821
flat angles P-C4'-P energy: -90.071
tors. eta vs tors. theta energy: -171.801
Dist. restrs. and SS energy: 33.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1917.173717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.173717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.562571 (E_RNA)
where:
Base-Base interactions energy: -1336.269
where: short stacking energy: -511.245
Base-Backbone interact. energy: -1.965
local terms energy: -605.327828
where:
bonds (distance) C4'-P energy: -130.148
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -126.461
flat angles P-C4'-P energy: -75.755
tors. eta vs tors. theta energy: -157.338
Dist. restrs. and SS energy: 26.389 (S_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: -1738.121968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.121968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.596255 (E_RNA)
where:
Base-Base interactions energy: -1248.869
where: short stacking energy: -503.138
Base-Backbone interact. energy: -2.284
local terms energy: -527.443846
where:
bonds (distance) C4'-P energy: -99.667
bonds (distance) P-C4' energy: -101.153
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -140.697
Dist. restrs. and SS energy: 40.474 (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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1837.361655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.361655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.991730 (E_RNA)
where:
Base-Base interactions energy: -1276.432
where: short stacking energy: -509.192
Base-Backbone interact. energy: -1.844
local terms energy: -593.715935
where:
bonds (distance) C4'-P energy: -101.750
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -127.523
flat angles P-C4'-P energy: -81.419
tors. eta vs tors. theta energy: -160.124
Dist. restrs. and SS energy: 34.630 (S_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: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -2359.250963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.250963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.680698 (E_RNA)
where:
Base-Base interactions energy: -1661.511
where: short stacking energy: -654.153
Base-Backbone interact. energy: -0.643
local terms energy: -706.527050
where:
bonds (distance) C4'-P energy: -134.006
bonds (distance) P-C4' energy: -132.284
flat angles C4'-P-C4' energy: -148.356
flat angles P-C4'-P energy: -100.244
tors. eta vs tors. theta energy: -191.637
Dist. restrs. and SS energy: 9.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2233.833672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.833672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.639953 (E_RNA)
where:
Base-Base interactions energy: -1555.106
where: short stacking energy: -616.508
Base-Backbone interact. energy: -3.259
local terms energy: -694.275064
where:
bonds (distance) C4'-P energy: -159.821
bonds (distance) P-C4' energy: -131.369
flat angles C4'-P-C4' energy: -139.441
flat angles P-C4'-P energy: -92.532
tors. eta vs tors. theta energy: -171.111
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: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2230.376850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.376850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.066888 (E_RNA)
where:
Base-Base interactions energy: -1583.747
where: short stacking energy: -631.864
Base-Backbone interact. energy: 3.041
local terms energy: -669.360380
where:
bonds (distance) C4'-P energy: -123.769
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -145.428
flat angles P-C4'-P energy: -98.363
tors. eta vs tors. theta energy: -176.869
Dist. restrs. and SS energy: 19.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2218.250042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.250042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.684353 (E_RNA)
where:
Base-Base interactions energy: -1554.208
where: short stacking energy: -630.053
Base-Backbone interact. energy: -1.554
local terms energy: -681.922431
where:
bonds (distance) C4'-P energy: -124.514
bonds (distance) P-C4' energy: -135.067
flat angles C4'-P-C4' energy: -143.971
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -186.562
Dist. restrs. and SS energy: 19.434 (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: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2031.993497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.993497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.625996 (E_RNA)
where:
Base-Base interactions energy: -1441.462
where: short stacking energy: -567.368
Base-Backbone interact. energy: 2.132
local terms energy: -623.296233
where:
bonds (distance) C4'-P energy: -127.531
bonds (distance) P-C4' energy: -120.094
flat angles C4'-P-C4' energy: -139.682
flat angles P-C4'-P energy: -80.179
tors. eta vs tors. theta energy: -155.810
Dist. restrs. and SS energy: 30.632 (S_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: 15
Temperature: 1.150000
Total energy: -2001.285276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.285276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.756250 (E_RNA)
where:
Base-Base interactions energy: -1449.755
where: short stacking energy: -551.879
Base-Backbone interact. energy: -2.163
local terms energy: -569.837886
where:
bonds (distance) C4'-P energy: -119.307
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -111.073
flat angles P-C4'-P energy: -73.471
tors. eta vs tors. theta energy: -148.961
Dist. restrs. and SS energy: 20.471 (S_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: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1854.933315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.933315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.254510 (E_RNA)
where:
Base-Base interactions energy: -1324.180
where: short stacking energy: -561.794
Base-Backbone interact. energy: -1.726
local terms energy: -577.348920
where:
bonds (distance) C4'-P energy: -110.148
bonds (distance) P-C4' energy: -114.286
flat angles C4'-P-C4' energy: -114.209
flat angles P-C4'-P energy: -77.325
tors. eta vs tors. theta energy: -161.381
Dist. restrs. and SS energy: 48.321 (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: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1709.303218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.303218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.293060 (E_RNA)
where:
Base-Base interactions energy: -1196.859
where: short stacking energy: -471.047
Base-Backbone interact. energy: -1.708
local terms energy: -557.725633
where:
bonds (distance) C4'-P energy: -116.972
bonds (distance) P-C4' energy: -129.422
flat angles C4'-P-C4' energy: -120.259
flat angles P-C4'-P energy: -50.560
tors. eta vs tors. theta energy: -140.513
Dist. restrs. and SS energy: 46.990 (S_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: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2399.455101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.455101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.366318 (E_RNA)
where:
Base-Base interactions energy: -1689.400
where: short stacking energy: -701.517
Base-Backbone interact. energy: -2.594
local terms energy: -720.372704
where:
bonds (distance) C4'-P energy: -139.269
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -150.163
flat angles P-C4'-P energy: -95.831
tors. eta vs tors. theta energy: -202.470
Dist. restrs. and SS energy: 12.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2255.763713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.763713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.649123 (E_RNA)
where:
Base-Base interactions energy: -1580.720
where: short stacking energy: -635.854
Base-Backbone interact. energy: -0.698
local terms energy: -696.231050
where:
bonds (distance) C4'-P energy: -139.771
bonds (distance) P-C4' energy: -141.543
flat angles C4'-P-C4' energy: -143.297
flat angles P-C4'-P energy: -90.629
tors. eta vs tors. theta energy: -180.991
Dist. restrs. and SS energy: 21.885 (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: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2229.538732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.538732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.699879 (E_RNA)
where:
Base-Base interactions energy: -1563.326
where: short stacking energy: -628.151
Base-Backbone interact. energy: -0.112
local terms energy: -683.261640
where:
bonds (distance) C4'-P energy: -127.901
bonds (distance) P-C4' energy: -132.785
flat angles C4'-P-C4' energy: -150.102
flat angles P-C4'-P energy: -93.228
tors. eta vs tors. theta energy: -179.246
Dist. restrs. and SS energy: 17.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2241.974851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.974851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.218539 (E_RNA)
where:
Base-Base interactions energy: -1572.882
where: short stacking energy: -656.364
Base-Backbone interact. energy: -1.465
local terms energy: -693.871306
where:
bonds (distance) C4'-P energy: -130.489
bonds (distance) P-C4' energy: -115.797
flat angles C4'-P-C4' energy: -149.509
flat angles P-C4'-P energy: -99.144
tors. eta vs tors. theta energy: -198.931
Dist. restrs. and SS energy: 26.244 (S_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: 16
Temperature: 1.100000
Total energy: -2066.868430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.868430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.644106 (E_RNA)
where:
Base-Base interactions energy: -1476.059
where: short stacking energy: -590.638
Base-Backbone interact. energy: -1.170
local terms energy: -618.415146
where:
bonds (distance) C4'-P energy: -112.087
bonds (distance) P-C4' energy: -120.682
flat angles C4'-P-C4' energy: -146.055
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -160.746
Dist. restrs. and SS energy: 28.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1981.863175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.863175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.541411 (E_RNA)
where:
Base-Base interactions energy: -1401.573
where: short stacking energy: -551.453
Base-Backbone interact. energy: -0.625
local terms energy: -607.343888
where:
bonds (distance) C4'-P energy: -111.482
bonds (distance) P-C4' energy: -118.777
flat angles C4'-P-C4' energy: -142.578
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -157.859
Dist. restrs. and SS energy: 27.678 (S_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: 16
Temperature: 1.200000
Total energy: -1989.857249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.857249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.440377 (E_RNA)
where:
Base-Base interactions energy: -1433.555
where: short stacking energy: -565.850
Base-Backbone interact. energy: -0.290
local terms energy: -576.594490
where:
bonds (distance) C4'-P energy: -107.372
bonds (distance) P-C4' energy: -99.266
flat angles C4'-P-C4' energy: -121.045
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -171.190
Dist. restrs. and SS energy: 20.583 (S_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: 16
Temperature: 1.250000
Total energy: -1836.820630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.820630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.921250 (E_RNA)
where:
Base-Base interactions energy: -1299.790
where: short stacking energy: -493.179
Base-Backbone interact. energy: 1.840
local terms energy: -569.971570
where:
bonds (distance) C4'-P energy: -108.879
bonds (distance) P-C4' energy: -110.341
flat angles C4'-P-C4' energy: -126.808
flat angles P-C4'-P energy: -77.256
tors. eta vs tors. theta energy: -146.687
Dist. restrs. and SS energy: 31.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: -1595.963418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.963418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.350538 (E_RNA)
where:
Base-Base interactions energy: -1119.533
where: short stacking energy: -433.885
Base-Backbone interact. energy: -1.307
local terms energy: -513.510969
where:
bonds (distance) C4'-P energy: -94.752
bonds (distance) P-C4' energy: -84.261
flat angles C4'-P-C4' energy: -129.531
flat angles P-C4'-P energy: -64.056
tors. eta vs tors. theta energy: -140.910
Dist. restrs. and SS energy: 38.387 (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: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2383.397544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.397544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.308537 (E_RNA)
where:
Base-Base interactions energy: -1664.297
where: short stacking energy: -689.714
Base-Backbone interact. energy: -2.047
local terms energy: -727.964291
where:
bonds (distance) C4'-P energy: -139.135
bonds (distance) P-C4' energy: -144.566
flat angles C4'-P-C4' energy: -157.540
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -202.583
Dist. restrs. and SS energy: 10.911 (S_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: 17
Temperature: 0.950000
Total energy: -2357.159214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.159214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.352423 (E_RNA)
where:
Base-Base interactions energy: -1650.529
where: short stacking energy: -691.936
Base-Backbone interact. energy: -0.217
local terms energy: -727.607154
where:
bonds (distance) C4'-P energy: -142.076
bonds (distance) P-C4' energy: -141.928
flat angles C4'-P-C4' energy: -155.516
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -204.774
Dist. restrs. and SS energy: 21.193 (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: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2202.029851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.029851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.165698 (E_RNA)
where:
Base-Base interactions energy: -1527.843
where: short stacking energy: -629.523
Base-Backbone interact. energy: -2.998
local terms energy: -696.325426
where:
bonds (distance) C4'-P energy: -132.160
bonds (distance) P-C4' energy: -118.914
flat angles C4'-P-C4' energy: -152.376
flat angles P-C4'-P energy: -105.782
tors. eta vs tors. theta energy: -187.094
Dist. restrs. and SS energy: 25.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2268.635336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.635336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.128700 (E_RNA)
where:
Base-Base interactions energy: -1593.522
where: short stacking energy: -652.744
Base-Backbone interact. energy: 6.553
local terms energy: -698.159176
where:
bonds (distance) C4'-P energy: -129.919
bonds (distance) P-C4' energy: -138.610
flat angles C4'-P-C4' energy: -144.754
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -198.015
Dist. restrs. and SS energy: 16.493 (S_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: 17
Temperature: 1.100000
Total energy: -2132.790644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.790644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.348462 (E_RNA)
where:
Base-Base interactions energy: -1465.202
where: short stacking energy: -594.146
Base-Backbone interact. energy: -1.735
local terms energy: -684.411821
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -143.809
flat angles C4'-P-C4' energy: -126.127
flat angles P-C4'-P energy: -104.105
tors. eta vs tors. theta energy: -178.215
Dist. restrs. and SS energy: 18.558 (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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2091.259801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.259801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.289164 (E_RNA)
where:
Base-Base interactions energy: -1451.358
where: short stacking energy: -589.011
Base-Backbone interact. energy: -4.102
local terms energy: -660.829510
where:
bonds (distance) C4'-P energy: -130.436
bonds (distance) P-C4' energy: -123.227
flat angles C4'-P-C4' energy: -149.448
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -182.549
Dist. restrs. and SS energy: 25.029 (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: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1942.311916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.311916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.860718 (E_RNA)
where:
Base-Base interactions energy: -1363.070
where: short stacking energy: -564.024
Base-Backbone interact. energy: -0.788
local terms energy: -619.002156
where:
bonds (distance) C4'-P energy: -114.872
bonds (distance) P-C4' energy: -112.532
flat angles C4'-P-C4' energy: -135.211
flat angles P-C4'-P energy: -85.666
tors. eta vs tors. theta energy: -170.721
Dist. restrs. and SS energy: 40.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1814.393408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.393408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.979362 (E_RNA)
where:
Base-Base interactions energy: -1242.713
where: short stacking energy: -505.050
Base-Backbone interact. energy: -2.445
local terms energy: -597.821516
where:
bonds (distance) C4'-P energy: -104.608
bonds (distance) P-C4' energy: -123.451
flat angles C4'-P-C4' energy: -153.329
flat angles P-C4'-P energy: -73.495
tors. eta vs tors. theta energy: -142.938
Dist. restrs. and SS energy: 28.586 (S_DIST_RNA)
chem. 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: -1585.952965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.952965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.501074 (E_RNA)
where:
Base-Base interactions energy: -1121.827
where: short stacking energy: -468.971
Base-Backbone interact. energy: 3.278
local terms energy: -509.952259
where:
bonds (distance) C4'-P energy: -110.879
bonds (distance) P-C4' energy: -105.290
flat angles C4'-P-C4' energy: -116.207
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -126.515
Dist. restrs. and SS energy: 42.548 (S_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: -2386.435061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.435061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.325503 (E_RNA)
where:
Base-Base interactions energy: -1658.639
where: short stacking energy: -672.463
Base-Backbone interact. energy: -0.222
local terms energy: -740.465002
where:
bonds (distance) C4'-P energy: -140.788
bonds (distance) P-C4' energy: -147.553
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -109.595
tors. eta vs tors. theta energy: -189.692
Dist. restrs. and SS energy: 12.890 (S_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: 18
Temperature: 0.950000
Total energy: -2347.869106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.869106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.337928 (E_RNA)
where:
Base-Base interactions energy: -1655.684
where: short stacking energy: -676.427
Base-Backbone interact. energy: -2.976
local terms energy: -707.678222
where:
bonds (distance) C4'-P energy: -120.393
bonds (distance) P-C4' energy: -139.960
flat angles C4'-P-C4' energy: -156.509
flat angles P-C4'-P energy: -104.870
tors. eta vs tors. theta energy: -185.946
Dist. restrs. and SS energy: 18.469 (S_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: 18
Temperature: 1.000000
Total energy: -2367.331662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.331662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.642120 (E_RNA)
where:
Base-Base interactions energy: -1658.361
where: short stacking energy: -678.393
Base-Backbone interact. energy: 1.170
local terms energy: -727.450684
where:
bonds (distance) C4'-P energy: -132.606
bonds (distance) P-C4' energy: -139.543
flat angles C4'-P-C4' energy: -144.261
flat angles P-C4'-P energy: -104.014
tors. eta vs tors. theta energy: -207.026
Dist. restrs. and SS energy: 17.310 (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: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2143.800741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.800741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.790744 (E_RNA)
where:
Base-Base interactions energy: -1513.893
where: short stacking energy: -618.646
Base-Backbone interact. energy: 0.538
local terms energy: -660.436078
where:
bonds (distance) C4'-P energy: -130.343
bonds (distance) P-C4' energy: -120.607
flat angles C4'-P-C4' energy: -144.596
flat angles P-C4'-P energy: -90.958
tors. eta vs tors. theta energy: -173.931
Dist. restrs. and SS energy: 29.990 (S_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: 18
Temperature: 1.100000
Total energy: -2155.472896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.472896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.048612 (E_RNA)
where:
Base-Base interactions energy: -1515.413
where: short stacking energy: -587.311
Base-Backbone interact. energy: -2.081
local terms energy: -663.554798
where:
bonds (distance) C4'-P energy: -135.891
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -141.986
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -176.232
Dist. restrs. and SS energy: 25.576 (S_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: 18
Temperature: 1.150000
Total energy: -2086.075493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.075493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.876612 (E_RNA)
where:
Base-Base interactions energy: -1484.283
where: short stacking energy: -601.551
Base-Backbone interact. energy: -2.787
local terms energy: -622.806222
where:
bonds (distance) C4'-P energy: -114.478
bonds (distance) P-C4' energy: -119.321
flat angles C4'-P-C4' energy: -141.228
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -171.618
Dist. restrs. and SS energy: 23.801 (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: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1965.084616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.084616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.051494 (E_RNA)
where:
Base-Base interactions energy: -1412.558
where: short stacking energy: -574.649
Base-Backbone interact. energy: 1.396
local terms energy: -592.889142
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -98.038
flat angles C4'-P-C4' energy: -126.969
flat angles P-C4'-P energy: -86.532
tors. eta vs tors. theta energy: -165.053
Dist. restrs. and SS energy: 38.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1873.625840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.625840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.242035 (E_RNA)
where:
Base-Base interactions energy: -1323.811
where: short stacking energy: -522.104
Base-Backbone interact. energy: 0.088
local terms energy: -584.519463
where:
bonds (distance) C4'-P energy: -94.845
bonds (distance) P-C4' energy: -117.816
flat angles C4'-P-C4' energy: -129.968
flat angles P-C4'-P energy: -82.295
tors. eta vs tors. theta energy: -159.596
Dist. restrs. and SS energy: 34.616 (S_DIST_RNA)
chem. 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: -1571.665092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.665092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.472591 (E_RNA)
where:
Base-Base interactions energy: -1110.896
where: short stacking energy: -413.941
Base-Backbone interact. energy: -0.822
local terms energy: -502.753758
where:
bonds (distance) C4'-P energy: -106.375
bonds (distance) P-C4' energy: -109.009
flat angles C4'-P-C4' energy: -113.167
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -113.302
Dist. restrs. and SS energy: 42.807 (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: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2386.153578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.153578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.389399 (E_RNA)
where:
Base-Base interactions energy: -1647.598
where: short stacking energy: -689.136
Base-Backbone interact. energy: -2.880
local terms energy: -745.911545
where:
bonds (distance) C4'-P energy: -132.196
bonds (distance) P-C4' energy: -142.202
flat angles C4'-P-C4' energy: -158.209
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -204.797
Dist. restrs. and SS energy: 10.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2415.500738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.500738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.364892 (E_RNA)
where:
Base-Base interactions energy: -1694.167
where: short stacking energy: -687.865
Base-Backbone interact. energy: -3.399
local terms energy: -739.798999
where:
bonds (distance) C4'-P energy: -139.506
bonds (distance) P-C4' energy: -148.743
flat angles C4'-P-C4' energy: -152.223
flat angles P-C4'-P energy: -104.384
tors. eta vs tors. theta energy: -194.942
Dist. restrs. and SS energy: 21.864 (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: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2311.808604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.808604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.116668 (E_RNA)
where:
Base-Base interactions energy: -1666.269
where: short stacking energy: -695.746
Base-Backbone interact. energy: -3.415
local terms energy: -664.432662
where:
bonds (distance) C4'-P energy: -121.869
bonds (distance) P-C4' energy: -129.908
flat angles C4'-P-C4' energy: -140.422
flat angles P-C4'-P energy: -92.086
tors. eta vs tors. theta energy: -180.148
Dist. restrs. and SS energy: 22.308 (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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2275.944925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.944925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.565568 (E_RNA)
where:
Base-Base interactions energy: -1593.213
where: short stacking energy: -646.643
Base-Backbone interact. energy: -2.736
local terms energy: -707.617062
where:
bonds (distance) C4'-P energy: -124.899
bonds (distance) P-C4' energy: -131.354
flat angles C4'-P-C4' energy: -147.561
flat angles P-C4'-P energy: -93.193
tors. eta vs tors. theta energy: -210.610
Dist. restrs. and SS energy: 27.621 (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: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2070.466211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.466211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.920369 (E_RNA)
where:
Base-Base interactions energy: -1439.257
where: short stacking energy: -574.567
Base-Backbone interact. energy: -1.769
local terms energy: -657.894107
where:
bonds (distance) C4'-P energy: -125.963
bonds (distance) P-C4' energy: -127.661
flat angles C4'-P-C4' energy: -148.412
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -169.693
Dist. restrs. and SS energy: 28.454 (S_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: -2059.671942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.671942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.502738 (E_RNA)
where:
Base-Base interactions energy: -1460.416
where: short stacking energy: -590.521
Base-Backbone interact. energy: -0.831
local terms energy: -623.256346
where:
bonds (distance) C4'-P energy: -129.172
bonds (distance) P-C4' energy: -138.098
flat angles C4'-P-C4' energy: -116.448
flat angles P-C4'-P energy: -81.273
tors. eta vs tors. theta energy: -158.264
Dist. restrs. and SS energy: 24.831 (S_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: -1990.565633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.688504 (E_RNA)
where:
Base-Base interactions energy: -1406.169
where: short stacking energy: -580.495
Base-Backbone interact. energy: -3.646
local terms energy: -613.873194
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -115.675
flat angles C4'-P-C4' energy: -131.208
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -169.127
Dist. restrs. and SS energy: 33.123 (S_DIST_RNA)
chem. 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: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1782.858896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.858896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.004221 (E_RNA)
where:
Base-Base interactions energy: -1271.408
where: short stacking energy: -505.731
Base-Backbone interact. energy: -2.229
local terms energy: -546.367828
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -129.412
flat angles C4'-P-C4' energy: -129.436
flat angles P-C4'-P energy: -48.136
tors. eta vs tors. theta energy: -140.040
Dist. restrs. and SS energy: 37.145 (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: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1622.299739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.299739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.821980 (E_RNA)
where:
Base-Base interactions energy: -1133.688
where: short stacking energy: -449.150
Base-Backbone interact. energy: 0.780
local terms energy: -536.914232
where:
bonds (distance) C4'-P energy: -98.910
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -125.248
flat angles P-C4'-P energy: -74.121
tors. eta vs tors. theta energy: -130.307
Dist. restrs. and SS energy: 47.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2492.901774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.901774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.860482 (E_RNA)
where:
Base-Base interactions energy: -1759.726
where: short stacking energy: -727.406
Base-Backbone interact. energy: 1.317
local terms energy: -751.451735
where:
bonds (distance) C4'-P energy: -139.422
bonds (distance) P-C4' energy: -140.111
flat angles C4'-P-C4' energy: -155.837
flat angles P-C4'-P energy: -105.947
tors. eta vs tors. theta energy: -210.134
Dist. restrs. and SS energy: 16.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2336.617465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.617465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.026596 (E_RNA)
where:
Base-Base interactions energy: -1621.803
where: short stacking energy: -644.296
Base-Backbone interact. energy: -1.496
local terms energy: -721.727342
where:
bonds (distance) C4'-P energy: -146.947
bonds (distance) P-C4' energy: -133.478
flat angles C4'-P-C4' energy: -135.226
flat angles P-C4'-P energy: -107.681
tors. eta vs tors. theta energy: -198.395
Dist. restrs. and SS energy: 8.409 (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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2288.042625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.042625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.730538 (E_RNA)
where:
Base-Base interactions energy: -1576.294
where: short stacking energy: -666.698
Base-Backbone interact. energy: -3.735
local terms energy: -733.701679
where:
bonds (distance) C4'-P energy: -132.348
bonds (distance) P-C4' energy: -128.508
flat angles C4'-P-C4' energy: -166.807
flat angles P-C4'-P energy: -104.974
tors. eta vs tors. theta energy: -201.065
Dist. restrs. and SS energy: 25.688 (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: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2256.120941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.120941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.499896 (E_RNA)
where:
Base-Base interactions energy: -1608.519
where: short stacking energy: -636.235
Base-Backbone interact. energy: -0.253
local terms energy: -671.727983
where:
bonds (distance) C4'-P energy: -120.975
bonds (distance) P-C4' energy: -136.531
flat angles C4'-P-C4' energy: -140.227
flat angles P-C4'-P energy: -93.568
tors. eta vs tors. theta energy: -180.428
Dist. restrs. and SS energy: 24.379 (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: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2194.225402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.225402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.384548 (E_RNA)
where:
Base-Base interactions energy: -1549.852
where: short stacking energy: -629.603
Base-Backbone interact. energy: -1.926
local terms energy: -666.606676
where:
bonds (distance) C4'-P energy: -120.340
bonds (distance) P-C4' energy: -111.567
flat angles C4'-P-C4' energy: -153.268
flat angles P-C4'-P energy: -91.223
tors. eta vs tors. theta energy: -190.209
Dist. restrs. and SS energy: 24.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1995.873073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.873073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.726209 (E_RNA)
where:
Base-Base interactions energy: -1419.825
where: short stacking energy: -582.903
Base-Backbone interact. energy: -1.867
local terms energy: -597.034261
where:
bonds (distance) C4'-P energy: -104.406
bonds (distance) P-C4' energy: -114.509
flat angles C4'-P-C4' energy: -133.389
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -169.151
Dist. restrs. and SS energy: 22.853 (S_DIST_RNA)
chem. 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: -1831.681081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.681081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.239509 (E_RNA)
where:
Base-Base interactions energy: -1277.541
where: short stacking energy: -514.068
Base-Backbone interact. energy: 0.627
local terms energy: -589.325587
where:
bonds (distance) C4'-P energy: -124.173
bonds (distance) P-C4' energy: -133.357
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -55.484
tors. eta vs tors. theta energy: -155.023
Dist. restrs. and SS energy: 34.558 (S_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: 20
Temperature: 1.300000
Total energy: -1815.847096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.847096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.071032 (E_RNA)
where:
Base-Base interactions energy: -1291.877
where: short stacking energy: -515.924
Base-Backbone interact. energy: 2.480
local terms energy: -554.673924
where:
bonds (distance) C4'-P energy: -99.878
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -119.551
flat angles P-C4'-P energy: -77.064
tors. eta vs tors. theta energy: -148.368
Dist. restrs. and SS energy: 28.224 (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: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1598.005870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.005870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.926810 (E_RNA)
where:
Base-Base interactions energy: -1159.723
where: short stacking energy: -485.361
Base-Backbone interact. energy: -0.160
local terms energy: -478.044041
where:
bonds (distance) C4'-P energy: -88.422
bonds (distance) P-C4' energy: -97.145
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -130.257
Dist. restrs. and SS energy: 39.921 (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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2544.038805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.038805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.473523 (E_RNA)
where:
Base-Base interactions energy: -1785.528
where: short stacking energy: -735.482
Base-Backbone interact. energy: -2.559
local terms energy: -774.386467
where:
bonds (distance) C4'-P energy: -148.608
bonds (distance) P-C4' energy: -129.733
flat angles C4'-P-C4' energy: -157.465
flat angles P-C4'-P energy: -120.502
tors. eta vs tors. theta energy: -218.078
Dist. restrs. and SS energy: 18.435 (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: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2388.925237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.925237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.145744 (E_RNA)
where:
Base-Base interactions energy: -1679.621
where: short stacking energy: -684.691
Base-Backbone interact. energy: -1.692
local terms energy: -714.832018
where:
bonds (distance) C4'-P energy: -139.550
bonds (distance) P-C4' energy: -134.294
flat angles C4'-P-C4' energy: -147.087
flat angles P-C4'-P energy: -95.855
tors. eta vs tors. theta energy: -198.045
Dist. restrs. and SS energy: 7.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2352.336614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.336614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.166895 (E_RNA)
where:
Base-Base interactions energy: -1665.802
where: short stacking energy: -674.836
Base-Backbone interact. energy: -0.666
local terms energy: -704.698916
where:
bonds (distance) C4'-P energy: -122.531
bonds (distance) P-C4' energy: -141.306
flat angles C4'-P-C4' energy: -146.303
flat angles P-C4'-P energy: -91.208
tors. eta vs tors. theta energy: -203.351
Dist. restrs. and SS energy: 18.830 (S_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: 21
Temperature: 1.050000
Total energy: -2271.901697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.901697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.550804 (E_RNA)
where:
Base-Base interactions energy: -1601.417
where: short stacking energy: -670.893
Base-Backbone interact. energy: -0.273
local terms energy: -691.860929
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -135.805
flat angles C4'-P-C4' energy: -131.181
flat angles P-C4'-P energy: -105.550
tors. eta vs tors. theta energy: -192.990
Dist. restrs. and SS energy: 21.649 (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: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2177.520131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.520131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.878398 (E_RNA)
where:
Base-Base interactions energy: -1519.220
where: short stacking energy: -636.115
Base-Backbone interact. energy: 7.403
local terms energy: -687.061321
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -132.381
flat angles C4'-P-C4' energy: -141.685
flat angles P-C4'-P energy: -97.685
tors. eta vs tors. theta energy: -178.001
Dist. restrs. and SS energy: 21.358 (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: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2008.331558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.331558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.755810 (E_RNA)
where:
Base-Base interactions energy: -1450.688
where: short stacking energy: -574.662
Base-Backbone interact. energy: -0.882
local terms energy: -589.185630
where:
bonds (distance) C4'-P energy: -109.933
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -122.119
flat angles P-C4'-P energy: -74.632
tors. eta vs tors. theta energy: -161.383
Dist. restrs. and SS energy: 32.424 (S_DIST_RNA)
chem. 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: -1868.139889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.139889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.283756 (E_RNA)
where:
Base-Base interactions energy: -1336.432
where: short stacking energy: -523.432
Base-Backbone interact. energy: -1.163
local terms energy: -561.687844
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -97.785
flat angles C4'-P-C4' energy: -109.089
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -156.701
Dist. restrs. and SS energy: 31.144 (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: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1798.499835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.499835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.047471 (E_RNA)
where:
Base-Base interactions energy: -1281.817
where: short stacking energy: -507.100
Base-Backbone interact. energy: 1.094
local terms energy: -548.323835
where:
bonds (distance) C4'-P energy: -110.636
bonds (distance) P-C4' energy: -91.656
flat angles C4'-P-C4' energy: -124.363
flat angles P-C4'-P energy: -65.585
tors. eta vs tors. theta energy: -156.083
Dist. restrs. and SS energy: 30.548 (S_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: -1572.287929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.287929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.645447 (E_RNA)
where:
Base-Base interactions energy: -1153.676
where: short stacking energy: -452.580
Base-Backbone interact. energy: 1.483
local terms energy: -458.452477
where:
bonds (distance) C4'-P energy: -85.517
bonds (distance) P-C4' energy: -77.047
flat angles C4'-P-C4' energy: -89.906
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -135.536
Dist. restrs. and SS energy: 38.358 (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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2522.020440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.020440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.669066 (E_RNA)
where:
Base-Base interactions energy: -1785.134
where: short stacking energy: -745.836
Base-Backbone interact. energy: -1.107
local terms energy: -750.427286
where:
bonds (distance) C4'-P energy: -135.776
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -160.750
flat angles P-C4'-P energy: -111.468
tors. eta vs tors. theta energy: -216.294
Dist. restrs. and SS energy: 14.649 (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: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2359.779995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.779995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.328407 (E_RNA)
where:
Base-Base interactions energy: -1651.284
where: short stacking energy: -657.188
Base-Backbone interact. energy: -2.484
local terms energy: -716.560940
where:
bonds (distance) C4'-P energy: -140.713
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -159.349
flat angles P-C4'-P energy: -108.289
tors. eta vs tors. theta energy: -187.693
Dist. restrs. and SS energy: 10.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2361.323487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.323487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.376409 (E_RNA)
where:
Base-Base interactions energy: -1662.610
where: short stacking energy: -673.818
Base-Backbone interact. energy: 1.719
local terms energy: -715.484703
where:
bonds (distance) C4'-P energy: -122.846
bonds (distance) P-C4' energy: -148.242
flat angles C4'-P-C4' energy: -139.320
flat angles P-C4'-P energy: -96.892
tors. eta vs tors. theta energy: -208.186
Dist. restrs. and SS energy: 15.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2270.257601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.257601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.923470 (E_RNA)
where:
Base-Base interactions energy: -1615.946
where: short stacking energy: -662.244
Base-Backbone interact. energy: -2.405
local terms energy: -677.572615
where:
bonds (distance) C4'-P energy: -114.344
bonds (distance) P-C4' energy: -118.916
flat angles C4'-P-C4' energy: -144.392
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -195.479
Dist. restrs. and SS energy: 25.666 (S_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: 22
Temperature: 1.100000
Total energy: -2175.948642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.948642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.840787 (E_RNA)
where:
Base-Base interactions energy: -1581.653
where: short stacking energy: -629.662
Base-Backbone interact. energy: -4.219
local terms energy: -614.969120
where:
bonds (distance) C4'-P energy: -97.910
bonds (distance) P-C4' energy: -115.265
flat angles C4'-P-C4' energy: -143.169
flat angles P-C4'-P energy: -83.046
tors. eta vs tors. theta energy: -175.579
Dist. restrs. and SS energy: 24.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2054.188966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.188966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.551131 (E_RNA)
where:
Base-Base interactions energy: -1455.910
where: short stacking energy: -619.399
Base-Backbone interact. energy: -1.167
local terms energy: -620.473889
where:
bonds (distance) C4'-P energy: -120.551
bonds (distance) P-C4' energy: -114.708
flat angles C4'-P-C4' energy: -115.594
flat angles P-C4'-P energy: -94.612
tors. eta vs tors. theta energy: -175.009
Dist. restrs. and SS energy: 23.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2016.650690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.650690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.235760 (E_RNA)
where:
Base-Base interactions energy: -1411.448
where: short stacking energy: -566.591
Base-Backbone interact. energy: -1.754
local terms energy: -631.033927
where:
bonds (distance) C4'-P energy: -111.134
bonds (distance) P-C4' energy: -123.684
flat angles C4'-P-C4' energy: -131.473
flat angles P-C4'-P energy: -100.817
tors. eta vs tors. theta energy: -163.926
Dist. restrs. and SS energy: 27.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1872.314978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.314978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.503509 (E_RNA)
where:
Base-Base interactions energy: -1349.677
where: short stacking energy: -571.492
Base-Backbone interact. energy: -0.394
local terms energy: -566.431794
where:
bonds (distance) C4'-P energy: -110.982
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -127.178
flat angles P-C4'-P energy: -63.195
tors. eta vs tors. theta energy: -158.582
Dist. restrs. and SS energy: 44.189 (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: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1841.046838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.046838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.556113 (E_RNA)
where:
Base-Base interactions energy: -1304.338
where: short stacking energy: -516.140
Base-Backbone interact. energy: 1.814
local terms energy: -579.031694
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -130.013
flat angles C4'-P-C4' energy: -132.394
flat angles P-C4'-P energy: -69.457
tors. eta vs tors. theta energy: -147.358
Dist. restrs. and SS energy: 40.509 (S_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: -1614.500740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.500740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.616815 (E_RNA)
where:
Base-Base interactions energy: -1153.023
where: short stacking energy: -475.847
Base-Backbone interact. energy: 5.368
local terms energy: -525.961250
where:
bonds (distance) C4'-P energy: -113.498
bonds (distance) P-C4' energy: -105.633
flat angles C4'-P-C4' energy: -107.980
flat angles P-C4'-P energy: -63.569
tors. eta vs tors. theta energy: -135.282
Dist. restrs. and SS energy: 59.116 (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: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2539.855129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.855129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.609920 (E_RNA)
where:
Base-Base interactions energy: -1795.303
where: short stacking energy: -743.366
Base-Backbone interact. energy: -2.247
local terms energy: -764.058995
where:
bonds (distance) C4'-P energy: -144.276
bonds (distance) P-C4' energy: -129.566
flat angles C4'-P-C4' energy: -167.434
flat angles P-C4'-P energy: -105.996
tors. eta vs tors. theta energy: -216.787
Dist. restrs. and SS energy: 21.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2449.533917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.533917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.463093 (E_RNA)
where:
Base-Base interactions energy: -1717.742
where: short stacking energy: -718.680
Base-Backbone interact. energy: -3.264
local terms energy: -750.456722
where:
bonds (distance) C4'-P energy: -111.920
bonds (distance) P-C4' energy: -143.311
flat angles C4'-P-C4' energy: -157.112
flat angles P-C4'-P energy: -113.001
tors. eta vs tors. theta energy: -225.113
Dist. restrs. and SS energy: 21.929 (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: 23
Temperature: 1.000000
Total energy: -2311.132922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.132922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.099310 (E_RNA)
where:
Base-Base interactions energy: -1626.829
where: short stacking energy: -666.105
Base-Backbone interact. energy: -2.160
local terms energy: -699.109594
where:
bonds (distance) C4'-P energy: -140.055
bonds (distance) P-C4' energy: -121.958
flat angles C4'-P-C4' energy: -145.596
flat angles P-C4'-P energy: -99.235
tors. eta vs tors. theta energy: -192.266
Dist. restrs. and SS energy: 16.966 (S_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: -2266.485276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.485276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.861715 (E_RNA)
where:
Base-Base interactions energy: -1603.423
where: short stacking energy: -628.133
Base-Backbone interact. energy: 2.940
local terms energy: -688.379378
where:
bonds (distance) C4'-P energy: -122.602
bonds (distance) P-C4' energy: -140.583
flat angles C4'-P-C4' energy: -141.176
flat angles P-C4'-P energy: -95.628
tors. eta vs tors. theta energy: -188.390
Dist. restrs. and SS energy: 22.376 (S_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: 23
Temperature: 1.100000
Total energy: -2155.652233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.652233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.878559 (E_RNA)
where:
Base-Base interactions energy: -1515.402
where: short stacking energy: -614.011
Base-Backbone interact. energy: -2.857
local terms energy: -664.620316
where:
bonds (distance) C4'-P energy: -131.640
bonds (distance) P-C4' energy: -127.129
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -97.821
tors. eta vs tors. theta energy: -176.415
Dist. restrs. and SS energy: 27.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2068.408457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.408457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.499912 (E_RNA)
where:
Base-Base interactions energy: -1473.553
where: short stacking energy: -618.025
Base-Backbone interact. energy: 1.988
local terms energy: -620.934914
where:
bonds (distance) C4'-P energy: -118.142
bonds (distance) P-C4' energy: -119.115
flat angles C4'-P-C4' energy: -135.704
flat angles P-C4'-P energy: -66.238
tors. eta vs tors. theta energy: -181.736
Dist. restrs. and SS energy: 24.091 (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: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1926.871672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.871672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.997816 (E_RNA)
where:
Base-Base interactions energy: -1348.870
where: short stacking energy: -539.168
Base-Backbone interact. energy: -0.444
local terms energy: -610.683461
where:
bonds (distance) C4'-P energy: -132.784
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -132.594
flat angles P-C4'-P energy: -69.314
tors. eta vs tors. theta energy: -162.309
Dist. restrs. and SS energy: 33.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1935.372084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.372084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.918134 (E_RNA)
where:
Base-Base interactions energy: -1380.336
where: short stacking energy: -553.630
Base-Backbone interact. energy: 1.259
local terms energy: -583.841357
where:
bonds (distance) C4'-P energy: -122.941
bonds (distance) P-C4' energy: -115.310
flat angles C4'-P-C4' energy: -124.644
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -147.027
Dist. restrs. and SS energy: 27.546 (S_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: 23
Temperature: 1.300000
Total energy: -1923.511762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.511762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.764129 (E_RNA)
where:
Base-Base interactions energy: -1336.723
where: short stacking energy: -534.764
Base-Backbone interact. energy: 0.522
local terms energy: -614.563844
where:
bonds (distance) C4'-P energy: -113.658
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -144.065
flat angles P-C4'-P energy: -85.341
tors. eta vs tors. theta energy: -164.772
Dist. restrs. and SS energy: 27.252 (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: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1645.653467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.893426 (E_RNA)
where:
Base-Base interactions energy: -1177.215
where: short stacking energy: -508.978
Base-Backbone interact. energy: -3.929
local terms energy: -529.749142
where:
bonds (distance) C4'-P energy: -99.619
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -100.801
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: -153.193
Dist. restrs. and SS energy: 65.240 (S_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: 24
Temperature: 0.900000
Total energy: -2508.010059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.010059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.851999 (E_RNA)
where:
Base-Base interactions energy: -1776.556
where: short stacking energy: -738.698
Base-Backbone interact. energy: -1.407
local terms energy: -744.889344
where:
bonds (distance) C4'-P energy: -139.084
bonds (distance) P-C4' energy: -136.934
flat angles C4'-P-C4' energy: -149.246
flat angles P-C4'-P energy: -107.823
tors. eta vs tors. theta energy: -211.803
Dist. restrs. and SS energy: 14.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2429.731601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.731601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.034858 (E_RNA)
where:
Base-Base interactions energy: -1678.703
where: short stacking energy: -680.385
Base-Backbone interact. energy: -2.102
local terms energy: -767.229679
where:
bonds (distance) C4'-P energy: -130.181
bonds (distance) P-C4' energy: -139.932
flat angles C4'-P-C4' energy: -168.999
flat angles P-C4'-P energy: -116.124
tors. eta vs tors. theta energy: -211.994
Dist. restrs. and SS energy: 18.303 (S_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: 24
Temperature: 1.000000
Total energy: -2343.659125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.659125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.744322 (E_RNA)
where:
Base-Base interactions energy: -1649.658
where: short stacking energy: -683.091
Base-Backbone interact. energy: -0.579
local terms energy: -708.507221
where:
bonds (distance) C4'-P energy: -121.382
bonds (distance) P-C4' energy: -136.772
flat angles C4'-P-C4' energy: -156.695
flat angles P-C4'-P energy: -101.860
tors. eta vs tors. theta energy: -191.799
Dist. restrs. and SS energy: 15.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2332.624914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.624914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.310311 (E_RNA)
where:
Base-Base interactions energy: -1634.164
where: short stacking energy: -658.981
Base-Backbone interact. energy: -3.702
local terms energy: -705.444139
where:
bonds (distance) C4'-P energy: -120.943
bonds (distance) P-C4' energy: -136.745
flat angles C4'-P-C4' energy: -152.494
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -193.639
Dist. restrs. and SS energy: 10.685 (S_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: 24
Temperature: 1.100000
Total energy: -2159.075511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.075511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.379800 (E_RNA)
where:
Base-Base interactions energy: -1534.781
where: short stacking energy: -600.519
Base-Backbone interact. energy: -1.613
local terms energy: -644.985561
where:
bonds (distance) C4'-P energy: -121.870
bonds (distance) P-C4' energy: -138.295
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -80.521
tors. eta vs tors. theta energy: -161.344
Dist. restrs. and SS energy: 22.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2156.092384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.092384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.878763 (E_RNA)
where:
Base-Base interactions energy: -1541.609
where: short stacking energy: -641.006
Base-Backbone interact. energy: 1.117
local terms energy: -643.386967
where:
bonds (distance) C4'-P energy: -115.529
bonds (distance) P-C4' energy: -116.504
flat angles C4'-P-C4' energy: -149.412
flat angles P-C4'-P energy: -76.099
tors. eta vs tors. theta energy: -185.842
Dist. restrs. and SS energy: 27.786 (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: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1978.790999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.790999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.217830 (E_RNA)
where:
Base-Base interactions energy: -1405.490
where: short stacking energy: -573.549
Base-Backbone interact. energy: -2.060
local terms energy: -611.667111
where:
bonds (distance) C4'-P energy: -123.198
bonds (distance) P-C4' energy: -131.816
flat angles C4'-P-C4' energy: -124.167
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -170.658
Dist. restrs. and SS energy: 40.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1836.792346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.792346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.532161 (E_RNA)
where:
Base-Base interactions energy: -1301.606
where: short stacking energy: -519.367
Base-Backbone interact. energy: 0.082
local terms energy: -565.007604
where:
bonds (distance) C4'-P energy: -105.430
bonds (distance) P-C4' energy: -111.179
flat angles C4'-P-C4' energy: -147.118
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -133.285
Dist. restrs. and SS energy: 29.740 (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: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1840.637770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.637770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.410541 (E_RNA)
where:
Base-Base interactions energy: -1292.222
where: short stacking energy: -505.450
Base-Backbone interact. energy: 1.593
local terms energy: -582.781682
where:
bonds (distance) C4'-P energy: -124.599
bonds (distance) P-C4' energy: -129.862
flat angles C4'-P-C4' energy: -112.675
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -147.206
Dist. restrs. and SS energy: 32.773 (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: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1651.564556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.564556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.385523 (E_RNA)
where:
Base-Base interactions energy: -1166.318
where: short stacking energy: -468.556
Base-Backbone interact. energy: -1.820
local terms energy: -536.247465
where:
bonds (distance) C4'-P energy: -135.503
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: -124.949
Dist. restrs. and SS energy: 52.821 (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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2518.449016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.449016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.469353 (E_RNA)
where:
Base-Base interactions energy: -1772.588
where: short stacking energy: -745.183
Base-Backbone interact. energy: -1.333
local terms energy: -765.548711
where:
bonds (distance) C4'-P energy: -144.211
bonds (distance) P-C4' energy: -143.691
flat angles C4'-P-C4' energy: -158.339
flat angles P-C4'-P energy: -109.424
tors. eta vs tors. theta energy: -209.883
Dist. restrs. and SS energy: 21.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2421.586856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.586856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.891465 (E_RNA)
where:
Base-Base interactions energy: -1679.729
where: short stacking energy: -702.921
Base-Backbone interact. energy: -1.492
local terms energy: -758.670339
where:
bonds (distance) C4'-P energy: -131.662
bonds (distance) P-C4' energy: -141.417
flat angles C4'-P-C4' energy: -152.195
flat angles P-C4'-P energy: -114.437
tors. eta vs tors. theta energy: -218.959
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: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2377.746498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.746498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.780766 (E_RNA)
where:
Base-Base interactions energy: -1656.881
where: short stacking energy: -686.043
Base-Backbone interact. energy: -2.106
local terms energy: -737.794534
where:
bonds (distance) C4'-P energy: -132.633
bonds (distance) P-C4' energy: -143.561
flat angles C4'-P-C4' energy: -154.607
flat angles P-C4'-P energy: -103.898
tors. eta vs tors. theta energy: -203.095
Dist. restrs. and SS energy: 19.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2315.055380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.055380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.825434 (E_RNA)
where:
Base-Base interactions energy: -1642.926
where: short stacking energy: -657.888
Base-Backbone interact. energy: -0.631
local terms energy: -688.267735
where:
bonds (distance) C4'-P energy: -120.275
bonds (distance) P-C4' energy: -133.480
flat angles C4'-P-C4' energy: -149.999
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -203.119
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: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2153.012813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.012813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.649652 (E_RNA)
where:
Base-Base interactions energy: -1500.110
where: short stacking energy: -599.716
Base-Backbone interact. energy: -0.620
local terms energy: -671.919337
where:
bonds (distance) C4'-P energy: -135.014
bonds (distance) P-C4' energy: -137.138
flat angles C4'-P-C4' energy: -139.069
flat angles P-C4'-P energy: -80.227
tors. eta vs tors. theta energy: -180.472
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: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2199.776495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.776495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.580138 (E_RNA)
where:
Base-Base interactions energy: -1557.379
where: short stacking energy: -625.072
Base-Backbone interact. energy: -1.008
local terms energy: -656.193422
where:
bonds (distance) C4'-P energy: -110.269
bonds (distance) P-C4' energy: -132.974
flat angles C4'-P-C4' energy: -141.769
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -187.599
Dist. restrs. and SS energy: 14.804 (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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2028.374959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.374959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.632730 (E_RNA)
where:
Base-Base interactions energy: -1459.725
where: short stacking energy: -604.949
Base-Backbone interact. energy: 3.269
local terms energy: -618.176882
where:
bonds (distance) C4'-P energy: -116.120
bonds (distance) P-C4' energy: -121.548
flat angles C4'-P-C4' energy: -128.405
flat angles P-C4'-P energy: -84.639
tors. eta vs tors. theta energy: -167.464
Dist. restrs. and SS energy: 46.258 (S_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: 25
Temperature: 1.250000
Total energy: -1999.982415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.982415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.276119 (E_RNA)
where:
Base-Base interactions energy: -1389.218
where: short stacking energy: -582.076
Base-Backbone interact. energy: 0.978
local terms energy: -639.036025
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -129.480
flat angles C4'-P-C4' energy: -120.838
flat angles P-C4'-P energy: -92.517
tors. eta vs tors. theta energy: -177.038
Dist. restrs. and SS energy: 27.294 (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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1767.800176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.800176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.415995 (E_RNA)
where:
Base-Base interactions energy: -1265.144
where: short stacking energy: -520.185
Base-Backbone interact. energy: 0.021
local terms energy: -547.293541
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -105.091
flat angles C4'-P-C4' energy: -111.540
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -148.640
Dist. restrs. and SS energy: 44.616 (S_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: -1680.698301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.698301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.480160 (E_RNA)
where:
Base-Base interactions energy: -1188.691
where: short stacking energy: -482.231
Base-Backbone interact. energy: -3.244
local terms energy: -539.544973
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -117.337
flat angles C4'-P-C4' energy: -104.810
flat angles P-C4'-P energy: -67.697
tors. eta vs tors. theta energy: -146.632
Dist. restrs. and SS energy: 50.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2543.744894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.744894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.728696 (E_RNA)
where:
Base-Base interactions energy: -1764.245
where: short stacking energy: -743.800
Base-Backbone interact. energy: -1.654
local terms energy: -799.829680
where:
bonds (distance) C4'-P energy: -142.547
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -171.557
flat angles P-C4'-P energy: -118.123
tors. eta vs tors. theta energy: -218.525
Dist. restrs. and SS energy: 21.984 (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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2445.186914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.186914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.007658 (E_RNA)
where:
Base-Base interactions energy: -1696.376
where: short stacking energy: -700.904
Base-Backbone interact. energy: -0.754
local terms energy: -762.878123
where:
bonds (distance) C4'-P energy: -138.771
bonds (distance) P-C4' energy: -146.490
flat angles C4'-P-C4' energy: -162.210
flat angles P-C4'-P energy: -99.121
tors. eta vs tors. theta energy: -216.287
Dist. restrs. and SS energy: 14.821 (S_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: 26
Temperature: 1.000000
Total energy: -2356.985941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.985941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.493115 (E_RNA)
where:
Base-Base interactions energy: -1642.626
where: short stacking energy: -672.158
Base-Backbone interact. energy: -1.916
local terms energy: -723.951614
where:
bonds (distance) C4'-P energy: -130.109
bonds (distance) P-C4' energy: -147.588
flat angles C4'-P-C4' energy: -146.124
flat angles P-C4'-P energy: -104.774
tors. eta vs tors. theta energy: -195.358
Dist. restrs. and SS energy: 11.507 (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: 26
Temperature: 1.050000
Total energy: -2316.535571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.535571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.830926 (E_RNA)
where:
Base-Base interactions energy: -1654.584
where: short stacking energy: -675.346
Base-Backbone interact. energy: -2.669
local terms energy: -686.577101
where:
bonds (distance) C4'-P energy: -120.166
bonds (distance) P-C4' energy: -143.891
flat angles C4'-P-C4' energy: -136.446
flat angles P-C4'-P energy: -90.800
tors. eta vs tors. theta energy: -195.274
Dist. restrs. and SS energy: 27.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2259.027865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.027865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.179136 (E_RNA)
where:
Base-Base interactions energy: -1558.607
where: short stacking energy: -643.427
Base-Backbone interact. energy: -0.629
local terms energy: -717.943081
where:
bonds (distance) C4'-P energy: -135.118
bonds (distance) P-C4' energy: -136.756
flat angles C4'-P-C4' energy: -142.773
flat angles P-C4'-P energy: -105.138
tors. eta vs tors. theta energy: -198.158
Dist. restrs. and SS energy: 18.151 (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: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2059.620845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.620845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.949268 (E_RNA)
where:
Base-Base interactions energy: -1414.564
where: short stacking energy: -565.127
Base-Backbone interact. energy: -2.210
local terms energy: -664.175947
where:
bonds (distance) C4'-P energy: -126.599
bonds (distance) P-C4' energy: -128.869
flat angles C4'-P-C4' energy: -126.616
flat angles P-C4'-P energy: -104.197
tors. eta vs tors. theta energy: -177.895
Dist. restrs. and SS energy: 21.328 (S_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: -2079.305490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.305490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.275938 (E_RNA)
where:
Base-Base interactions energy: -1471.378
where: short stacking energy: -594.544
Base-Backbone interact. energy: 0.706
local terms energy: -623.603873
where:
bonds (distance) C4'-P energy: -114.202
bonds (distance) P-C4' energy: -138.627
flat angles C4'-P-C4' energy: -125.946
flat angles P-C4'-P energy: -63.142
tors. eta vs tors. theta energy: -181.687
Dist. restrs. and SS energy: 14.970 (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: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -2005.001530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.001530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.222034 (E_RNA)
where:
Base-Base interactions energy: -1408.961
where: short stacking energy: -585.572
Base-Backbone interact. energy: -3.299
local terms energy: -628.962642
where:
bonds (distance) C4'-P energy: -126.554
bonds (distance) P-C4' energy: -95.242
flat angles C4'-P-C4' energy: -138.794
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -180.327
Dist. restrs. and SS energy: 36.221 (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: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1743.587148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.587148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.160531 (E_RNA)
where:
Base-Base interactions energy: -1263.009
where: short stacking energy: -505.850
Base-Backbone interact. energy: 1.271
local terms energy: -515.421830
where:
bonds (distance) C4'-P energy: -106.675
bonds (distance) P-C4' energy: -85.446
flat angles C4'-P-C4' energy: -109.287
flat angles P-C4'-P energy: -78.183
tors. eta vs tors. theta energy: -135.831
Dist. restrs. and SS energy: 33.573 (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: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1704.219658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.219658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.841901 (E_RNA)
where:
Base-Base interactions energy: -1233.849
where: short stacking energy: -489.459
Base-Backbone interact. energy: -0.995
local terms energy: -527.997231
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -125.672
flat angles C4'-P-C4' energy: -101.547
flat angles P-C4'-P energy: -68.118
tors. eta vs tors. theta energy: -131.124
Dist. restrs. and SS energy: 58.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2546.109023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.109023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.230525 (E_RNA)
where:
Base-Base interactions energy: -1777.118
where: short stacking energy: -752.204
Base-Backbone interact. energy: -1.077
local terms energy: -787.036163
where:
bonds (distance) C4'-P energy: -142.438
bonds (distance) P-C4' energy: -146.770
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -112.126
tors. eta vs tors. theta energy: -220.268
Dist. restrs. and SS energy: 19.122 (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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2426.657881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.657881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.481089 (E_RNA)
where:
Base-Base interactions energy: -1717.637
where: short stacking energy: -727.920
Base-Backbone interact. energy: -1.002
local terms energy: -724.842023
where:
bonds (distance) C4'-P energy: -127.635
bonds (distance) P-C4' energy: -126.698
flat angles C4'-P-C4' energy: -155.372
flat angles P-C4'-P energy: -103.165
tors. eta vs tors. theta energy: -211.972
Dist. restrs. and SS energy: 16.823 (S_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: 27
Temperature: 1.000000
Total energy: -2351.625054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.625054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.140849 (E_RNA)
where:
Base-Base interactions energy: -1688.053
where: short stacking energy: -670.805
Base-Backbone interact. energy: -3.279
local terms energy: -678.808800
where:
bonds (distance) C4'-P energy: -123.295
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -145.890
flat angles P-C4'-P energy: -90.850
tors. eta vs tors. theta energy: -192.115
Dist. restrs. and SS energy: 18.516 (S_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: 27
Temperature: 1.050000
Total energy: -2319.495376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.495376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.732222 (E_RNA)
where:
Base-Base interactions energy: -1646.383
where: short stacking energy: -669.438
Base-Backbone interact. energy: -0.275
local terms energy: -693.074206
where:
bonds (distance) C4'-P energy: -120.795
bonds (distance) P-C4' energy: -127.425
flat angles C4'-P-C4' energy: -154.120
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -198.581
Dist. restrs. and SS energy: 20.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2205.987389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.987389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.455854 (E_RNA)
where:
Base-Base interactions energy: -1578.335
where: short stacking energy: -633.123
Base-Backbone interact. energy: 2.757
local terms energy: -648.877493
where:
bonds (distance) C4'-P energy: -100.863
bonds (distance) P-C4' energy: -121.687
flat angles C4'-P-C4' energy: -142.978
flat angles P-C4'-P energy: -76.499
tors. eta vs tors. theta energy: -206.851
Dist. restrs. and SS energy: 18.468 (S_DIST_RNA)
chem. 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: -2147.337196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.337196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.709569 (E_RNA)
where:
Base-Base interactions energy: -1510.328
where: short stacking energy: -616.262
Base-Backbone interact. energy: -0.800
local terms energy: -654.582179
where:
bonds (distance) C4'-P energy: -98.524
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -139.300
flat angles P-C4'-P energy: -91.685
tors. eta vs tors. theta energy: -191.382
Dist. restrs. and SS energy: 18.372 (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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2048.418648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.418648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.393657 (E_RNA)
where:
Base-Base interactions energy: -1457.386
where: short stacking energy: -563.938
Base-Backbone interact. energy: 0.007
local terms energy: -614.014636
where:
bonds (distance) C4'-P energy: -124.483
bonds (distance) P-C4' energy: -94.364
flat angles C4'-P-C4' energy: -144.992
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -157.878
Dist. restrs. and SS energy: 22.975 (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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -2029.270206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.270206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.432043 (E_RNA)
where:
Base-Base interactions energy: -1433.679
where: short stacking energy: -593.053
Base-Backbone interact. energy: -2.282
local terms energy: -625.471031
where:
bonds (distance) C4'-P energy: -124.265
bonds (distance) P-C4' energy: -130.236
flat angles C4'-P-C4' energy: -120.898
flat angles P-C4'-P energy: -74.998
tors. eta vs tors. theta energy: -175.074
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: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1791.743748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.743748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.314381 (E_RNA)
where:
Base-Base interactions energy: -1257.968
where: short stacking energy: -532.862
Base-Backbone interact. energy: 5.990
local terms energy: -576.336267
where:
bonds (distance) C4'-P energy: -113.422
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -138.203
flat angles P-C4'-P energy: -76.071
tors. eta vs tors. theta energy: -141.153
Dist. restrs. and SS energy: 36.571 (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: 27
Temperature: 1.350000
Total energy: -1711.942811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.942811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.911962 (E_RNA)
where:
Base-Base interactions energy: -1230.485
where: short stacking energy: -492.359
Base-Backbone interact. energy: -2.908
local terms energy: -542.519144
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -126.454
flat angles C4'-P-C4' energy: -107.911
flat angles P-C4'-P energy: -75.667
tors. eta vs tors. theta energy: -137.352
Dist. restrs. and SS energy: 63.969 (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: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2538.950798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.950798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.184368 (E_RNA)
where:
Base-Base interactions energy: -1769.941
where: short stacking energy: -747.056
Base-Backbone interact. energy: -2.692
local terms energy: -783.551769
where:
bonds (distance) C4'-P energy: -139.245
bonds (distance) P-C4' energy: -144.855
flat angles C4'-P-C4' energy: -170.256
flat angles P-C4'-P energy: -119.665
tors. eta vs tors. theta energy: -209.531
Dist. restrs. and SS energy: 17.234 (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: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2416.369432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.295033 (E_RNA)
where:
Base-Base interactions energy: -1701.876
where: short stacking energy: -702.338
Base-Backbone interact. energy: -2.387
local terms energy: -727.032623
where:
bonds (distance) C4'-P energy: -136.399
bonds (distance) P-C4' energy: -142.582
flat angles C4'-P-C4' energy: -146.900
flat angles P-C4'-P energy: -99.344
tors. eta vs tors. theta energy: -201.808
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: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2394.229956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.229956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.217927 (E_RNA)
where:
Base-Base interactions energy: -1698.358
where: short stacking energy: -687.376
Base-Backbone interact. energy: -3.208
local terms energy: -708.652547
where:
bonds (distance) C4'-P energy: -131.279
bonds (distance) P-C4' energy: -127.580
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -90.524
tors. eta vs tors. theta energy: -206.432
Dist. restrs. and SS energy: 15.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2324.361653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.361653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.731492 (E_RNA)
where:
Base-Base interactions energy: -1662.189
where: short stacking energy: -670.477
Base-Backbone interact. energy: -2.100
local terms energy: -682.442869
where:
bonds (distance) C4'-P energy: -118.009
bonds (distance) P-C4' energy: -134.647
flat angles C4'-P-C4' energy: -136.866
flat angles P-C4'-P energy: -90.178
tors. eta vs tors. theta energy: -202.742
Dist. restrs. and SS energy: 22.370 (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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2207.405713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.405713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.643635 (E_RNA)
where:
Base-Base interactions energy: -1567.590
where: short stacking energy: -635.208
Base-Backbone interact. energy: -3.672
local terms energy: -648.381160
where:
bonds (distance) C4'-P energy: -110.767
bonds (distance) P-C4' energy: -124.311
flat angles C4'-P-C4' energy: -134.097
flat angles P-C4'-P energy: -82.836
tors. eta vs tors. theta energy: -196.370
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: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2152.007573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.007573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.236766 (E_RNA)
where:
Base-Base interactions energy: -1550.717
where: short stacking energy: -629.881
Base-Backbone interact. energy: -2.773
local terms energy: -627.747000
where:
bonds (distance) C4'-P energy: -106.334
bonds (distance) P-C4' energy: -117.450
flat angles C4'-P-C4' energy: -132.495
flat angles P-C4'-P energy: -79.845
tors. eta vs tors. theta energy: -191.623
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: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2066.053571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.053571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.599722 (E_RNA)
where:
Base-Base interactions energy: -1441.387
where: short stacking energy: -606.815
Base-Backbone interact. energy: -0.123
local terms energy: -643.089076
where:
bonds (distance) C4'-P energy: -123.189
bonds (distance) P-C4' energy: -127.746
flat angles C4'-P-C4' energy: -125.318
flat angles P-C4'-P energy: -68.925
tors. eta vs tors. theta energy: -197.911
Dist. restrs. and SS energy: 18.546 (S_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: 28
Temperature: 1.250000
Total energy: -1966.619215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.619215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.086161 (E_RNA)
where:
Base-Base interactions energy: -1375.836
where: short stacking energy: -562.510
Base-Backbone interact. energy: 4.313
local terms energy: -623.563998
where:
bonds (distance) C4'-P energy: -125.079
bonds (distance) P-C4' energy: -120.790
flat angles C4'-P-C4' energy: -122.761
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -161.689
Dist. restrs. and SS energy: 28.467 (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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1736.144361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.144361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.912951 (E_RNA)
where:
Base-Base interactions energy: -1233.665
where: short stacking energy: -491.537
Base-Backbone interact. energy: -1.402
local terms energy: -535.845465
where:
bonds (distance) C4'-P energy: -98.243
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -125.501
flat angles P-C4'-P energy: -57.026
tors. eta vs tors. theta energy: -135.045
Dist. restrs. and SS energy: 34.769 (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: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1727.099368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.099368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.284923 (E_RNA)
where:
Base-Base interactions energy: -1237.819
where: short stacking energy: -471.613
Base-Backbone interact. energy: -2.933
local terms energy: -517.532703
where:
bonds (distance) C4'-P energy: -97.595
bonds (distance) P-C4' energy: -127.308
flat angles C4'-P-C4' energy: -92.122
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -145.766
Dist. restrs. and SS energy: 31.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2532.681339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.681339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.139854 (E_RNA)
where:
Base-Base interactions energy: -1778.107
where: short stacking energy: -738.399
Base-Backbone interact. energy: -0.360
local terms energy: -772.672966
where:
bonds (distance) C4'-P energy: -126.183
bonds (distance) P-C4' energy: -153.677
flat angles C4'-P-C4' energy: -162.751
flat angles P-C4'-P energy: -106.976
tors. eta vs tors. theta energy: -223.087
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: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2426.987542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.987542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.740927 (E_RNA)
where:
Base-Base interactions energy: -1724.289
where: short stacking energy: -695.734
Base-Backbone interact. energy: 2.466
local terms energy: -719.918728
where:
bonds (distance) C4'-P energy: -135.054
bonds (distance) P-C4' energy: -129.441
flat angles C4'-P-C4' energy: -163.071
flat angles P-C4'-P energy: -80.992
tors. eta vs tors. theta energy: -211.360
Dist. restrs. and SS energy: 14.753 (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: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2365.524334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.524334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.427897 (E_RNA)
where:
Base-Base interactions energy: -1657.287
where: short stacking energy: -711.533
Base-Backbone interact. energy: -1.396
local terms energy: -730.745217
where:
bonds (distance) C4'-P energy: -148.468
bonds (distance) P-C4' energy: -126.694
flat angles C4'-P-C4' energy: -147.901
flat angles P-C4'-P energy: -96.503
tors. eta vs tors. theta energy: -211.179
Dist. restrs. and SS energy: 23.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2335.755665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.755665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.998656 (E_RNA)
where:
Base-Base interactions energy: -1677.847
where: short stacking energy: -664.262
Base-Backbone interact. energy: -0.077
local terms energy: -673.074112
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -123.058
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -98.888
tors. eta vs tors. theta energy: -189.301
Dist. restrs. and SS energy: 15.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2224.832224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.832224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.201636 (E_RNA)
where:
Base-Base interactions energy: -1574.518
where: short stacking energy: -646.877
Base-Backbone interact. energy: -0.655
local terms energy: -671.028877
where:
bonds (distance) C4'-P energy: -128.377
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -140.005
flat angles P-C4'-P energy: -84.500
tors. eta vs tors. theta energy: -182.341
Dist. restrs. and SS energy: 21.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2161.589970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.589970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.542275 (E_RNA)
where:
Base-Base interactions energy: -1536.889
where: short stacking energy: -623.346
Base-Backbone interact. energy: -3.982
local terms energy: -640.671391
where:
bonds (distance) C4'-P energy: -118.122
bonds (distance) P-C4' energy: -111.522
flat angles C4'-P-C4' energy: -132.808
flat angles P-C4'-P energy: -85.166
tors. eta vs tors. theta energy: -193.054
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: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2063.018494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.018494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.037150 (E_RNA)
where:
Base-Base interactions energy: -1466.026
where: short stacking energy: -575.093
Base-Backbone interact. energy: 0.378
local terms energy: -613.389363
where:
bonds (distance) C4'-P energy: -116.625
bonds (distance) P-C4' energy: -139.192
flat angles C4'-P-C4' energy: -141.780
flat angles P-C4'-P energy: -54.451
tors. eta vs tors. theta energy: -161.341
Dist. restrs. and SS energy: 16.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1951.904721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.904721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.794594 (E_RNA)
where:
Base-Base interactions energy: -1373.966
where: short stacking energy: -567.039
Base-Backbone interact. energy: 6.416
local terms energy: -616.245458
where:
bonds (distance) C4'-P energy: -110.522
bonds (distance) P-C4' energy: -133.459
flat angles C4'-P-C4' energy: -138.274
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -159.275
Dist. restrs. and SS energy: 31.890 (S_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: 29
Temperature: 1.300000
Total energy: -1806.499104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.499104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.178238 (E_RNA)
where:
Base-Base interactions energy: -1284.938
where: short stacking energy: -496.985
Base-Backbone interact. energy: -0.388
local terms energy: -552.851584
where:
bonds (distance) C4'-P energy: -108.809
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -148.481
flat angles P-C4'-P energy: -64.885
tors. eta vs tors. theta energy: -128.058
Dist. restrs. and SS energy: 31.679 (S_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: -1765.728453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.728453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.093058 (E_RNA)
where:
Base-Base interactions energy: -1239.121
where: short stacking energy: -506.787
Base-Backbone interact. energy: -2.077
local terms energy: -557.895025
where:
bonds (distance) C4'-P energy: -107.516
bonds (distance) P-C4' energy: -109.405
flat angles C4'-P-C4' energy: -122.694
flat angles P-C4'-P energy: -70.250
tors. eta vs tors. theta energy: -148.029
Dist. restrs. and SS energy: 33.365 (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: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2528.409277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.409277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.289650 (E_RNA)
where:
Base-Base interactions energy: -1770.646
where: short stacking energy: -744.678
Base-Backbone interact. energy: -1.937
local terms energy: -771.706577
where:
bonds (distance) C4'-P energy: -141.288
bonds (distance) P-C4' energy: -142.583
flat angles C4'-P-C4' energy: -156.912
flat angles P-C4'-P energy: -107.182
tors. eta vs tors. theta energy: -223.742
Dist. restrs. and SS energy: 15.880 (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: 30
Temperature: 0.950000
Total energy: -2419.968470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.968470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.221541 (E_RNA)
where:
Base-Base interactions energy: -1694.394
where: short stacking energy: -694.605
Base-Backbone interact. energy: -3.448
local terms energy: -739.380194
where:
bonds (distance) C4'-P energy: -126.007
bonds (distance) P-C4' energy: -143.727
flat angles C4'-P-C4' energy: -158.478
flat angles P-C4'-P energy: -100.339
tors. eta vs tors. theta energy: -210.829
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: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2422.009085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.009085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.533111 (E_RNA)
where:
Base-Base interactions energy: -1711.069
where: short stacking energy: -676.824
Base-Backbone interact. energy: -3.748
local terms energy: -722.716440
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -146.969
flat angles C4'-P-C4' energy: -149.922
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -210.963
Dist. restrs. and SS energy: 15.524 (S_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: 30
Temperature: 1.050000
Total energy: -2340.680538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.680538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.882411 (E_RNA)
where:
Base-Base interactions energy: -1632.170
where: short stacking energy: -665.389
Base-Backbone interact. energy: 0.317
local terms energy: -727.028864
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -133.585
flat angles C4'-P-C4' energy: -159.919
flat angles P-C4'-P energy: -93.533
tors. eta vs tors. theta energy: -204.470
Dist. restrs. and SS energy: 18.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2224.360704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.360704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.117663 (E_RNA)
where:
Base-Base interactions energy: -1550.997
where: short stacking energy: -653.253
Base-Backbone interact. energy: -1.029
local terms energy: -697.092046
where:
bonds (distance) C4'-P energy: -119.714
bonds (distance) P-C4' energy: -135.945
flat angles C4'-P-C4' energy: -154.556
flat angles P-C4'-P energy: -98.444
tors. eta vs tors. theta energy: -188.434
Dist. restrs. and SS energy: 24.757 (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: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2155.546925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.546925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.389965 (E_RNA)
where:
Base-Base interactions energy: -1523.917
where: short stacking energy: -614.289
Base-Backbone interact. energy: 0.236
local terms energy: -662.709096
where:
bonds (distance) C4'-P energy: -136.868
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -130.081
flat angles P-C4'-P energy: -96.595
tors. eta vs tors. theta energy: -190.432
Dist. restrs. and SS energy: 30.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2050.220729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.220729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.236850 (E_RNA)
where:
Base-Base interactions energy: -1439.201
where: short stacking energy: -585.548
Base-Backbone interact. energy: -0.945
local terms energy: -638.090774
where:
bonds (distance) C4'-P energy: -113.115
bonds (distance) P-C4' energy: -121.678
flat angles C4'-P-C4' energy: -129.346
flat angles P-C4'-P energy: -91.893
tors. eta vs tors. theta energy: -182.059
Dist. restrs. and SS energy: 28.016 (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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1949.516689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.516689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.281254 (E_RNA)
where:
Base-Base interactions energy: -1373.993
where: short stacking energy: -550.260
Base-Backbone interact. energy: 0.508
local terms energy: -596.796478
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -125.598
flat angles C4'-P-C4' energy: -134.595
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -153.626
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1900.827628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.827628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.542061 (E_RNA)
where:
Base-Base interactions energy: -1357.957
where: short stacking energy: -532.868
Base-Backbone interact. energy: -0.964
local terms energy: -569.621091
where:
bonds (distance) C4'-P energy: -97.435
bonds (distance) P-C4' energy: -129.364
flat angles C4'-P-C4' energy: -118.115
flat angles P-C4'-P energy: -61.445
tors. eta vs tors. theta energy: -163.261
Dist. restrs. and SS energy: 27.714 (S_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: -1707.256757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.256757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.717879 (E_RNA)
where:
Base-Base interactions energy: -1213.655
where: short stacking energy: -494.146
Base-Backbone interact. energy: -2.361
local terms energy: -543.701778
where:
bonds (distance) C4'-P energy: -107.191
bonds (distance) P-C4' energy: -102.539
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -147.493
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2536.972050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.972050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.500787 (E_RNA)
where:
Base-Base interactions energy: -1790.053
where: short stacking energy: -748.430
Base-Backbone interact. energy: -0.011
local terms energy: -762.436101
where:
bonds (distance) C4'-P energy: -126.223
bonds (distance) P-C4' energy: -135.223
flat angles C4'-P-C4' energy: -158.940
flat angles P-C4'-P energy: -123.921
tors. eta vs tors. theta energy: -218.128
Dist. restrs. and SS energy: 15.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2439.969942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.969942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.726620 (E_RNA)
where:
Base-Base interactions energy: -1713.035
where: short stacking energy: -706.787
Base-Backbone interact. energy: -1.901
local terms energy: -746.790641
where:
bonds (distance) C4'-P energy: -134.742
bonds (distance) P-C4' energy: -138.368
flat angles C4'-P-C4' energy: -157.924
flat angles P-C4'-P energy: -99.733
tors. eta vs tors. theta energy: -216.025
Dist. restrs. and SS energy: 21.757 (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: 31
Temperature: 1.000000
Total energy: -2394.189998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.189998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.859212 (E_RNA)
where:
Base-Base interactions energy: -1718.497
where: short stacking energy: -693.226
Base-Backbone interact. energy: -4.781
local terms energy: -691.581439
where:
bonds (distance) C4'-P energy: -135.312
bonds (distance) P-C4' energy: -126.253
flat angles C4'-P-C4' energy: -148.488
flat angles P-C4'-P energy: -85.888
tors. eta vs tors. theta energy: -195.641
Dist. restrs. and SS energy: 20.669 (S_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: 31
Temperature: 1.050000
Total energy: -2282.023163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.023163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.509940 (E_RNA)
where:
Base-Base interactions energy: -1614.513
where: short stacking energy: -646.896
Base-Backbone interact. energy: -3.110
local terms energy: -683.887511
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -130.938
flat angles C4'-P-C4' energy: -146.945
flat angles P-C4'-P energy: -96.089
tors. eta vs tors. theta energy: -199.178
Dist. restrs. and SS energy: 19.487 (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: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2212.838244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.838244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.623310 (E_RNA)
where:
Base-Base interactions energy: -1564.191
where: short stacking energy: -634.229
Base-Backbone interact. energy: -2.033
local terms energy: -664.398580
where:
bonds (distance) C4'-P energy: -123.224
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -127.281
flat angles P-C4'-P energy: -90.681
tors. eta vs tors. theta energy: -196.089
Dist. restrs. and SS energy: 17.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2173.876761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.876761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.529445 (E_RNA)
where:
Base-Base interactions energy: -1531.517
where: short stacking energy: -646.814
Base-Backbone interact. energy: -1.349
local terms energy: -668.663756
where:
bonds (distance) C4'-P energy: -119.986
bonds (distance) P-C4' energy: -129.055
flat angles C4'-P-C4' energy: -135.422
flat angles P-C4'-P energy: -91.923
tors. eta vs tors. theta energy: -192.277
Dist. restrs. and SS energy: 27.653 (S_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: 31
Temperature: 1.200000
Total energy: -2035.710209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.710209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.486400 (E_RNA)
where:
Base-Base interactions energy: -1433.366
where: short stacking energy: -600.394
Base-Backbone interact. energy: -1.395
local terms energy: -629.725555
where:
bonds (distance) C4'-P energy: -104.944
bonds (distance) P-C4' energy: -129.481
flat angles C4'-P-C4' energy: -137.248
flat angles P-C4'-P energy: -71.629
tors. eta vs tors. theta energy: -186.423
Dist. restrs. and SS energy: 28.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -2009.722746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.722746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.589312 (E_RNA)
where:
Base-Base interactions energy: -1403.411
where: short stacking energy: -556.791
Base-Backbone interact. energy: -0.458
local terms energy: -631.719477
where:
bonds (distance) C4'-P energy: -94.000
bonds (distance) P-C4' energy: -138.262
flat angles C4'-P-C4' energy: -123.301
flat angles P-C4'-P energy: -93.473
tors. eta vs tors. theta energy: -182.683
Dist. restrs. and SS energy: 25.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1924.136692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.136692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.960761 (E_RNA)
where:
Base-Base interactions energy: -1348.988
where: short stacking energy: -540.764
Base-Backbone interact. energy: -1.998
local terms energy: -600.975287
where:
bonds (distance) C4'-P energy: -104.035
bonds (distance) P-C4' energy: -117.647
flat angles C4'-P-C4' energy: -134.077
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -168.664
Dist. restrs. and SS energy: 27.824 (S_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: -1718.775263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.775263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.562235 (E_RNA)
where:
Base-Base interactions energy: -1187.381
where: short stacking energy: -457.929
Base-Backbone interact. energy: 0.313
local terms energy: -567.494710
where:
bonds (distance) C4'-P energy: -99.522
bonds (distance) P-C4' energy: -117.116
flat angles C4'-P-C4' energy: -133.261
flat angles P-C4'-P energy: -82.824
tors. eta vs tors. theta energy: -134.771
Dist. restrs. and SS energy: 35.787 (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: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2549.753318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.753318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.441562 (E_RNA)
where:
Base-Base interactions energy: -1773.617
where: short stacking energy: -734.842
Base-Backbone interact. energy: -3.107
local terms energy: -791.716957
where:
bonds (distance) C4'-P energy: -144.827
bonds (distance) P-C4' energy: -151.951
flat angles C4'-P-C4' energy: -167.741
flat angles P-C4'-P energy: -111.727
tors. eta vs tors. theta energy: -215.471
Dist. restrs. and SS energy: 18.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2449.425522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.425522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.706781 (E_RNA)
where:
Base-Base interactions energy: -1745.036
where: short stacking energy: -735.266
Base-Backbone interact. energy: 0.309
local terms energy: -731.979450
where:
bonds (distance) C4'-P energy: -129.891
bonds (distance) P-C4' energy: -135.519
flat angles C4'-P-C4' energy: -162.887
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -224.118
Dist. restrs. and SS energy: 27.281 (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: 32
Temperature: 1.000000
Total energy: -2442.511247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.511247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.243312 (E_RNA)
where:
Base-Base interactions energy: -1727.243
where: short stacking energy: -697.851
Base-Backbone interact. energy: -2.777
local terms energy: -725.222718
where:
bonds (distance) C4'-P energy: -137.862
bonds (distance) P-C4' energy: -115.181
flat angles C4'-P-C4' energy: -139.134
flat angles P-C4'-P energy: -111.113
tors. eta vs tors. theta energy: -221.932
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: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2358.114598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.114598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.314259 (E_RNA)
where:
Base-Base interactions energy: -1677.933
where: short stacking energy: -685.421
Base-Backbone interact. energy: -1.484
local terms energy: -694.896565
where:
bonds (distance) C4'-P energy: -127.353
bonds (distance) P-C4' energy: -122.659
flat angles C4'-P-C4' energy: -154.342
flat angles P-C4'-P energy: -83.619
tors. eta vs tors. theta energy: -206.925
Dist. restrs. and SS energy: 16.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2256.104948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.104948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.838368 (E_RNA)
where:
Base-Base interactions energy: -1600.305
where: short stacking energy: -648.917
Base-Backbone interact. energy: -1.337
local terms energy: -672.196611
where:
bonds (distance) C4'-P energy: -111.014
bonds (distance) P-C4' energy: -126.868
flat angles C4'-P-C4' energy: -134.224
flat angles P-C4'-P energy: -96.681
tors. eta vs tors. theta energy: -203.409
Dist. restrs. and SS energy: 17.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2183.813382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.813382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.219901 (E_RNA)
where:
Base-Base interactions energy: -1538.394
where: short stacking energy: -660.273
Base-Backbone interact. energy: -3.844
local terms energy: -675.981347
where:
bonds (distance) C4'-P energy: -103.642
bonds (distance) P-C4' energy: -132.596
flat angles C4'-P-C4' energy: -144.907
flat angles P-C4'-P energy: -105.745
tors. eta vs tors. theta energy: -189.092
Dist. restrs. and SS energy: 34.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2114.880732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.880732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.771590 (E_RNA)
where:
Base-Base interactions energy: -1516.826
where: short stacking energy: -594.474
Base-Backbone interact. energy: -3.162
local terms energy: -617.783312
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -115.296
flat angles C4'-P-C4' energy: -141.000
flat angles P-C4'-P energy: -81.259
tors. eta vs tors. theta energy: -175.751
Dist. restrs. and SS energy: 22.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1949.687681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.687681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.043208 (E_RNA)
where:
Base-Base interactions energy: -1372.058
where: short stacking energy: -573.144
Base-Backbone interact. energy: -0.277
local terms energy: -608.708554
where:
bonds (distance) C4'-P energy: -123.704
bonds (distance) P-C4' energy: -102.392
flat angles C4'-P-C4' energy: -141.585
flat angles P-C4'-P energy: -65.282
tors. eta vs tors. theta energy: -175.745
Dist. restrs. and SS energy: 31.356 (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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1871.563850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.489066 (E_RNA)
where:
Base-Base interactions energy: -1373.522
where: short stacking energy: -523.623
Base-Backbone interact. energy: -1.485
local terms energy: -525.482639
where:
bonds (distance) C4'-P energy: -101.580
bonds (distance) P-C4' energy: -101.957
flat angles C4'-P-C4' energy: -107.269
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -153.386
Dist. restrs. and SS energy: 28.925 (S_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: -1796.744228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.744228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.454868 (E_RNA)
where:
Base-Base interactions energy: -1295.151
where: short stacking energy: -543.740
Base-Backbone interact. energy: -0.756
local terms energy: -539.548246
where:
bonds (distance) C4'-P energy: -107.907
bonds (distance) P-C4' energy: -93.977
flat angles C4'-P-C4' energy: -109.790
flat angles P-C4'-P energy: -75.042
tors. eta vs tors. theta energy: -152.833
Dist. restrs. and SS energy: 38.711 (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: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2565.807242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.807242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.016484 (E_RNA)
where:
Base-Base interactions energy: -1791.559
where: short stacking energy: -739.149
Base-Backbone interact. energy: -4.441
local terms energy: -783.016342
where:
bonds (distance) C4'-P energy: -144.593
bonds (distance) P-C4' energy: -141.633
flat angles C4'-P-C4' energy: -154.636
flat angles P-C4'-P energy: -112.885
tors. eta vs tors. theta energy: -229.270
Dist. restrs. and SS energy: 13.209 (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: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2497.042848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.042848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.418098 (E_RNA)
where:
Base-Base interactions energy: -1784.197
where: short stacking energy: -717.588
Base-Backbone interact. energy: 1.160
local terms energy: -725.381284
where:
bonds (distance) C4'-P energy: -145.428
bonds (distance) P-C4' energy: -136.000
flat angles C4'-P-C4' energy: -139.244
flat angles P-C4'-P energy: -92.049
tors. eta vs tors. theta energy: -212.660
Dist. restrs. and SS energy: 11.375 (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: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2369.828791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.828791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.130744 (E_RNA)
where:
Base-Base interactions energy: -1662.025
where: short stacking energy: -687.437
Base-Backbone interact. energy: -2.902
local terms energy: -729.203148
where:
bonds (distance) C4'-P energy: -132.858
bonds (distance) P-C4' energy: -124.143
flat angles C4'-P-C4' energy: -160.647
flat angles P-C4'-P energy: -99.876
tors. eta vs tors. theta energy: -211.678
Dist. restrs. and SS energy: 24.302 (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: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2341.012978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.012978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.381083 (E_RNA)
where:
Base-Base interactions energy: -1678.765
where: short stacking energy: -677.238
Base-Backbone interact. energy: 0.969
local terms energy: -677.584687
where:
bonds (distance) C4'-P energy: -125.564
bonds (distance) P-C4' energy: -127.020
flat angles C4'-P-C4' energy: -144.264
flat angles P-C4'-P energy: -78.687
tors. eta vs tors. theta energy: -202.050
Dist. restrs. and SS energy: 14.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2300.189824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.189824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.745643 (E_RNA)
where:
Base-Base interactions energy: -1619.050
where: short stacking energy: -675.136
Base-Backbone interact. energy: -2.294
local terms energy: -700.402159
where:
bonds (distance) C4'-P energy: -110.987
bonds (distance) P-C4' energy: -130.100
flat angles C4'-P-C4' energy: -143.234
flat angles P-C4'-P energy: -105.226
tors. eta vs tors. theta energy: -210.856
Dist. restrs. and SS energy: 21.556 (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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2202.236397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.236397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.196857 (E_RNA)
where:
Base-Base interactions energy: -1569.953
where: short stacking energy: -638.374
Base-Backbone interact. energy: -1.052
local terms energy: -648.192324
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -107.253
flat angles C4'-P-C4' energy: -132.219
flat angles P-C4'-P energy: -95.888
tors. eta vs tors. theta energy: -189.442
Dist. restrs. and SS energy: 16.960 (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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2120.701318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.701318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.750112 (E_RNA)
where:
Base-Base interactions energy: -1481.754
where: short stacking energy: -606.138
Base-Backbone interact. energy: -0.146
local terms energy: -661.850359
where:
bonds (distance) C4'-P energy: -127.444
bonds (distance) P-C4' energy: -122.621
flat angles C4'-P-C4' energy: -137.589
flat angles P-C4'-P energy: -90.003
tors. eta vs tors. theta energy: -184.194
Dist. restrs. and SS energy: 23.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -2055.010341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.010341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.553564 (E_RNA)
where:
Base-Base interactions energy: -1440.293
where: short stacking energy: -594.527
Base-Backbone interact. energy: -1.703
local terms energy: -628.557181
where:
bonds (distance) C4'-P energy: -102.557
bonds (distance) P-C4' energy: -114.797
flat angles C4'-P-C4' energy: -137.141
flat angles P-C4'-P energy: -86.371
tors. eta vs tors. theta energy: -187.691
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: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1856.360030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.360030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.494087 (E_RNA)
where:
Base-Base interactions energy: -1300.165
where: short stacking energy: -486.661
Base-Backbone interact. energy: -2.984
local terms energy: -576.344990
where:
bonds (distance) C4'-P energy: -124.452
bonds (distance) P-C4' energy: -108.819
flat angles C4'-P-C4' energy: -119.791
flat angles P-C4'-P energy: -70.131
tors. eta vs tors. theta energy: -153.152
Dist. restrs. and SS energy: 23.134 (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: 33
Temperature: 1.350000
Total energy: -1766.621963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.621963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.663110 (E_RNA)
where:
Base-Base interactions energy: -1251.683
where: short stacking energy: -484.020
Base-Backbone interact. energy: -1.354
local terms energy: -542.625547
where:
bonds (distance) C4'-P energy: -110.648
bonds (distance) P-C4' energy: -88.029
flat angles C4'-P-C4' energy: -132.963
flat angles P-C4'-P energy: -68.956
tors. eta vs tors. theta energy: -142.030
Dist. restrs. and SS energy: 29.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2587.646647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.646647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.212407 (E_RNA)
where:
Base-Base interactions energy: -1808.892
where: short stacking energy: -748.701
Base-Backbone interact. energy: -1.410
local terms energy: -795.909523
where:
bonds (distance) C4'-P energy: -156.746
bonds (distance) P-C4' energy: -148.770
flat angles C4'-P-C4' energy: -145.268
flat angles P-C4'-P energy: -116.384
tors. eta vs tors. theta energy: -228.742
Dist. restrs. and SS energy: 18.566 (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: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2497.759147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.759147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.912890 (E_RNA)
where:
Base-Base interactions energy: -1785.925
where: short stacking energy: -718.843
Base-Backbone interact. energy: -4.040
local terms energy: -722.947390
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -137.430
flat angles C4'-P-C4' energy: -162.405
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -206.634
Dist. restrs. and SS energy: 15.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2390.680983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.193334 (E_RNA)
where:
Base-Base interactions energy: -1693.708
where: short stacking energy: -717.322
Base-Backbone interact. energy: -3.012
local terms energy: -710.473402
where:
bonds (distance) C4'-P energy: -130.277
bonds (distance) P-C4' energy: -130.500
flat angles C4'-P-C4' energy: -134.407
flat angles P-C4'-P energy: -108.640
tors. eta vs tors. theta energy: -206.649
Dist. restrs. and SS energy: 16.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2342.527410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.527410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.572900 (E_RNA)
where:
Base-Base interactions energy: -1644.286
where: short stacking energy: -676.664
Base-Backbone interact. energy: -6.033
local terms energy: -718.253861
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -140.234
flat angles C4'-P-C4' energy: -145.177
flat angles P-C4'-P energy: -98.021
tors. eta vs tors. theta energy: -212.084
Dist. restrs. and SS energy: 26.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2222.287235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.287235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.451708 (E_RNA)
where:
Base-Base interactions energy: -1584.089
where: short stacking energy: -637.636
Base-Backbone interact. energy: 3.949
local terms energy: -669.311993
where:
bonds (distance) C4'-P energy: -111.204
bonds (distance) P-C4' energy: -132.108
flat angles C4'-P-C4' energy: -140.003
flat angles P-C4'-P energy: -99.912
tors. eta vs tors. theta energy: -186.085
Dist. restrs. and SS energy: 27.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2206.819030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.819030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.743098 (E_RNA)
where:
Base-Base interactions energy: -1544.639
where: short stacking energy: -644.497
Base-Backbone interact. energy: -0.145
local terms energy: -683.958823
where:
bonds (distance) C4'-P energy: -119.160
bonds (distance) P-C4' energy: -128.401
flat angles C4'-P-C4' energy: -146.457
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -186.697
Dist. restrs. and SS energy: 21.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2091.963968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.963968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.587435 (E_RNA)
where:
Base-Base interactions energy: -1503.117
where: short stacking energy: -620.718
Base-Backbone interact. energy: 3.218
local terms energy: -621.687884
where:
bonds (distance) C4'-P energy: -112.654
bonds (distance) P-C4' energy: -115.080
flat angles C4'-P-C4' energy: -140.492
flat angles P-C4'-P energy: -75.083
tors. eta vs tors. theta energy: -178.379
Dist. restrs. and SS energy: 29.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -2035.500705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.500705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.784110 (E_RNA)
where:
Base-Base interactions energy: -1453.537
where: short stacking energy: -590.896
Base-Backbone interact. energy: -1.850
local terms energy: -604.397172
where:
bonds (distance) C4'-P energy: -108.639
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -128.965
flat angles P-C4'-P energy: -89.642
tors. eta vs tors. theta energy: -164.363
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: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1878.737943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.737943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.937924 (E_RNA)
where:
Base-Base interactions energy: -1353.336
where: short stacking energy: -545.263
Base-Backbone interact. energy: -0.059
local terms energy: -553.543304
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -117.598
flat angles C4'-P-C4' energy: -118.124
flat angles P-C4'-P energy: -65.450
tors. eta vs tors. theta energy: -170.515
Dist. restrs. and SS energy: 28.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1776.511624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.511624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.212496 (E_RNA)
where:
Base-Base interactions energy: -1271.664
where: short stacking energy: -504.523
Base-Backbone interact. energy: 0.220
local terms energy: -531.768047
where:
bonds (distance) C4'-P energy: -96.857
bonds (distance) P-C4' energy: -100.068
flat angles C4'-P-C4' energy: -115.259
flat angles P-C4'-P energy: -71.766
tors. eta vs tors. theta energy: -147.818
Dist. restrs. and SS energy: 26.701 (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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2539.522732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.522732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.622585 (E_RNA)
where:
Base-Base interactions energy: -1811.345
where: short stacking energy: -743.651
Base-Backbone interact. energy: -1.936
local terms energy: -741.342072
where:
bonds (distance) C4'-P energy: -124.391
bonds (distance) P-C4' energy: -143.029
flat angles C4'-P-C4' energy: -151.530
flat angles P-C4'-P energy: -105.491
tors. eta vs tors. theta energy: -216.901
Dist. restrs. and SS energy: 15.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2498.026888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.026888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.319394 (E_RNA)
where:
Base-Base interactions energy: -1759.303
where: short stacking energy: -725.011
Base-Backbone interact. energy: -4.569
local terms energy: -751.446829
where:
bonds (distance) C4'-P energy: -153.792
bonds (distance) P-C4' energy: -128.315
flat angles C4'-P-C4' energy: -149.493
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -223.013
Dist. restrs. and SS energy: 17.293 (S_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: 35
Temperature: 1.000000
Total energy: -2389.731820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.731820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.867517 (E_RNA)
where:
Base-Base interactions energy: -1688.017
where: short stacking energy: -699.765
Base-Backbone interact. energy: -2.916
local terms energy: -712.933936
where:
bonds (distance) C4'-P energy: -127.899
bonds (distance) P-C4' energy: -122.777
flat angles C4'-P-C4' energy: -154.450
flat angles P-C4'-P energy: -99.651
tors. eta vs tors. theta energy: -208.157
Dist. restrs. and SS energy: 14.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2377.181501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.181501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.041191 (E_RNA)
where:
Base-Base interactions energy: -1688.736
where: short stacking energy: -678.553
Base-Backbone interact. energy: -1.267
local terms energy: -709.037840
where:
bonds (distance) C4'-P energy: -125.845
bonds (distance) P-C4' energy: -128.515
flat angles C4'-P-C4' energy: -147.298
flat angles P-C4'-P energy: -98.124
tors. eta vs tors. theta energy: -209.256
Dist. restrs. and SS energy: 21.860 (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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2261.265421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.265421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.061478 (E_RNA)
where:
Base-Base interactions energy: -1594.470
where: short stacking energy: -623.644
Base-Backbone interact. energy: -1.036
local terms energy: -683.556303
where:
bonds (distance) C4'-P energy: -134.528
bonds (distance) P-C4' energy: -119.921
flat angles C4'-P-C4' energy: -148.241
flat angles P-C4'-P energy: -92.330
tors. eta vs tors. theta energy: -188.536
Dist. restrs. and SS energy: 17.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2182.701706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.701706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.778498 (E_RNA)
where:
Base-Base interactions energy: -1541.504
where: short stacking energy: -650.880
Base-Backbone interact. energy: -2.630
local terms energy: -658.643757
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -111.748
flat angles C4'-P-C4' energy: -134.892
flat angles P-C4'-P energy: -92.161
tors. eta vs tors. theta energy: -202.983
Dist. restrs. and SS energy: 20.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2052.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.751465 (E_RNA)
where:
Base-Base interactions energy: -1438.341
where: short stacking energy: -605.170
Base-Backbone interact. energy: -0.638
local terms energy: -645.773049
where:
bonds (distance) C4'-P energy: -126.241
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -132.741
flat angles P-C4'-P energy: -87.561
tors. eta vs tors. theta energy: -185.946
Dist. restrs. and SS energy: 32.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -2047.990318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.990318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.371852 (E_RNA)
where:
Base-Base interactions energy: -1498.315
where: short stacking energy: -594.375
Base-Backbone interact. energy: -2.451
local terms energy: -574.605590
where:
bonds (distance) C4'-P energy: -116.505
bonds (distance) P-C4' energy: -97.371
flat angles C4'-P-C4' energy: -116.951
flat angles P-C4'-P energy: -79.431
tors. eta vs tors. theta energy: -164.348
Dist. restrs. and SS energy: 27.382 (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: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1898.016631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.016631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.486680 (E_RNA)
where:
Base-Base interactions energy: -1362.071
where: short stacking energy: -570.868
Base-Backbone interact. energy: 0.751
local terms energy: -572.166492
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -108.013
flat angles C4'-P-C4' energy: -133.963
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -163.375
Dist. restrs. and SS energy: 35.470 (S_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: -1771.492412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.492412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.266806 (E_RNA)
where:
Base-Base interactions energy: -1263.358
where: short stacking energy: -505.596
Base-Backbone interact. energy: -2.180
local terms energy: -532.728885
where:
bonds (distance) C4'-P energy: -129.761
bonds (distance) P-C4' energy: -86.116
flat angles C4'-P-C4' energy: -122.100
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -151.031
Dist. restrs. and SS energy: 26.774 (S_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: 36
Temperature: 0.900000
Total energy: -2549.500402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.500402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.043413 (E_RNA)
where:
Base-Base interactions energy: -1778.480
where: short stacking energy: -728.602
Base-Backbone interact. energy: -1.772
local terms energy: -790.791120
where:
bonds (distance) C4'-P energy: -141.749
bonds (distance) P-C4' energy: -149.191
flat angles C4'-P-C4' energy: -150.977
flat angles P-C4'-P energy: -125.967
tors. eta vs tors. theta energy: -222.907
Dist. restrs. and SS energy: 21.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2508.381999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.381999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.186830 (E_RNA)
where:
Base-Base interactions energy: -1779.566
where: short stacking energy: -722.710
Base-Backbone interact. energy: -2.038
local terms energy: -737.582537
where:
bonds (distance) C4'-P energy: -128.303
bonds (distance) P-C4' energy: -136.003
flat angles C4'-P-C4' energy: -151.332
flat angles P-C4'-P energy: -99.613
tors. eta vs tors. theta energy: -222.332
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: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2378.271577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.271577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.149201 (E_RNA)
where:
Base-Base interactions energy: -1689.896
where: short stacking energy: -679.603
Base-Backbone interact. energy: -2.720
local terms energy: -699.533106
where:
bonds (distance) C4'-P energy: -120.012
bonds (distance) P-C4' energy: -123.808
flat angles C4'-P-C4' energy: -156.924
flat angles P-C4'-P energy: -94.497
tors. eta vs tors. theta energy: -204.292
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: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2352.634031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.634031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.328718 (E_RNA)
where:
Base-Base interactions energy: -1659.676
where: short stacking energy: -692.341
Base-Backbone interact. energy: -0.936
local terms energy: -714.716806
where:
bonds (distance) C4'-P energy: -128.357
bonds (distance) P-C4' energy: -129.820
flat angles C4'-P-C4' energy: -150.625
flat angles P-C4'-P energy: -100.983
tors. eta vs tors. theta energy: -204.932
Dist. restrs. and SS energy: 22.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2274.301088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.301088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.047530 (E_RNA)
where:
Base-Base interactions energy: -1617.199
where: short stacking energy: -652.197
Base-Backbone interact. energy: -2.977
local terms energy: -676.872218
where:
bonds (distance) C4'-P energy: -109.087
bonds (distance) P-C4' energy: -126.669
flat angles C4'-P-C4' energy: -154.852
flat angles P-C4'-P energy: -90.411
tors. eta vs tors. theta energy: -195.852
Dist. restrs. and SS energy: 22.746 (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: 36
Temperature: 1.150000
Total energy: -2108.101612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.101612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.050599 (E_RNA)
where:
Base-Base interactions energy: -1515.092
where: short stacking energy: -618.146
Base-Backbone interact. energy: 2.469
local terms energy: -621.427993
where:
bonds (distance) C4'-P energy: -105.345
bonds (distance) P-C4' energy: -121.923
flat angles C4'-P-C4' energy: -132.664
flat angles P-C4'-P energy: -74.441
tors. eta vs tors. theta energy: -187.054
Dist. restrs. and SS energy: 25.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2086.903099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.903099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.265125 (E_RNA)
where:
Base-Base interactions energy: -1475.680
where: short stacking energy: -611.115
Base-Backbone interact. energy: -0.219
local terms energy: -644.365348
where:
bonds (distance) C4'-P energy: -104.330
bonds (distance) P-C4' energy: -144.477
flat angles C4'-P-C4' energy: -140.818
flat angles P-C4'-P energy: -88.070
tors. eta vs tors. theta energy: -166.670
Dist. restrs. and SS energy: 33.362 (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: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1996.931663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.931663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.591861 (E_RNA)
where:
Base-Base interactions energy: -1410.099
where: short stacking energy: -565.479
Base-Backbone interact. energy: -0.840
local terms energy: -614.653356
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -120.972
flat angles C4'-P-C4' energy: -141.001
flat angles P-C4'-P energy: -81.615
tors. eta vs tors. theta energy: -161.156
Dist. restrs. and SS energy: 28.660 (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: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1863.628626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.628626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.668346 (E_RNA)
where:
Base-Base interactions energy: -1323.092
where: short stacking energy: -522.640
Base-Backbone interact. energy: -0.755
local terms energy: -574.821446
where:
bonds (distance) C4'-P energy: -119.414
bonds (distance) P-C4' energy: -131.644
flat angles C4'-P-C4' energy: -111.368
flat angles P-C4'-P energy: -77.908
tors. eta vs tors. theta energy: -134.488
Dist. restrs. and SS energy: 35.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1798.044147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.044147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.874091 (E_RNA)
where:
Base-Base interactions energy: -1238.537
where: short stacking energy: -491.388
Base-Backbone interact. energy: -0.645
local terms energy: -586.691588
where:
bonds (distance) C4'-P energy: -127.733
bonds (distance) P-C4' energy: -117.569
flat angles C4'-P-C4' energy: -128.786
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -134.712
Dist. restrs. and SS energy: 27.830 (S_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: 37
Temperature: 0.900000
Total energy: -2570.320827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.320827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.359902 (E_RNA)
where:
Base-Base interactions energy: -1808.967
where: short stacking energy: -756.058
Base-Backbone interact. energy: 1.733
local terms energy: -783.125087
where:
bonds (distance) C4'-P energy: -141.182
bonds (distance) P-C4' energy: -144.820
flat angles C4'-P-C4' energy: -162.320
flat angles P-C4'-P energy: -105.254
tors. eta vs tors. theta energy: -229.550
Dist. restrs. and SS energy: 20.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2499.381348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.381348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.441105 (E_RNA)
where:
Base-Base interactions energy: -1750.660
where: short stacking energy: -726.051
Base-Backbone interact. energy: 0.707
local terms energy: -768.488489
where:
bonds (distance) C4'-P energy: -135.982
bonds (distance) P-C4' energy: -141.040
flat angles C4'-P-C4' energy: -159.568
flat angles P-C4'-P energy: -107.841
tors. eta vs tors. theta energy: -224.057
Dist. restrs. and SS energy: 19.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2426.270552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.270552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.373136 (E_RNA)
where:
Base-Base interactions energy: -1719.398
where: short stacking energy: -686.595
Base-Backbone interact. energy: -1.674
local terms energy: -719.300994
where:
bonds (distance) C4'-P energy: -131.368
bonds (distance) P-C4' energy: -138.378
flat angles C4'-P-C4' energy: -131.009
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -211.416
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: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2333.896155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.896155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.947673 (E_RNA)
where:
Base-Base interactions energy: -1657.467
where: short stacking energy: -683.931
Base-Backbone interact. energy: -0.967
local terms energy: -697.513596
where:
bonds (distance) C4'-P energy: -127.189
bonds (distance) P-C4' energy: -127.770
flat angles C4'-P-C4' energy: -143.204
flat angles P-C4'-P energy: -90.563
tors. eta vs tors. theta energy: -208.788
Dist. restrs. and SS energy: 22.052 (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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2237.117100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.117100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.505642 (E_RNA)
where:
Base-Base interactions energy: -1594.540
where: short stacking energy: -637.778
Base-Backbone interact. energy: -1.811
local terms energy: -669.154293
where:
bonds (distance) C4'-P energy: -128.728
bonds (distance) P-C4' energy: -114.983
flat angles C4'-P-C4' energy: -147.671
flat angles P-C4'-P energy: -83.108
tors. eta vs tors. theta energy: -194.664
Dist. restrs. and SS energy: 28.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2164.968214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.968214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.080111 (E_RNA)
where:
Base-Base interactions energy: -1510.976
where: short stacking energy: -638.292
Base-Backbone interact. energy: 1.703
local terms energy: -680.807255
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -122.051
flat angles C4'-P-C4' energy: -150.805
flat angles P-C4'-P energy: -98.199
tors. eta vs tors. theta energy: -189.230
Dist. restrs. and SS energy: 25.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1991.480108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.480108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.134607 (E_RNA)
where:
Base-Base interactions energy: -1424.837
where: short stacking energy: -586.765
Base-Backbone interact. energy: -0.639
local terms energy: -603.658715
where:
bonds (distance) C4'-P energy: -105.442
bonds (distance) P-C4' energy: -126.896
flat angles C4'-P-C4' energy: -118.596
flat angles P-C4'-P energy: -84.722
tors. eta vs tors. theta energy: -168.004
Dist. restrs. and SS energy: 37.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1982.732624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.732624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.913451 (E_RNA)
where:
Base-Base interactions energy: -1420.487
where: short stacking energy: -576.192
Base-Backbone interact. energy: 1.638
local terms energy: -586.064243
where:
bonds (distance) C4'-P energy: -115.506
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -72.282
tors. eta vs tors. theta energy: -161.756
Dist. restrs. and SS energy: 22.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1845.367714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.732354 (E_RNA)
where:
Base-Base interactions energy: -1303.384
where: short stacking energy: -540.842
Base-Backbone interact. energy: -2.582
local terms energy: -588.767136
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -103.590
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -69.372
tors. eta vs tors. theta energy: -169.875
Dist. restrs. and SS energy: 49.365 (S_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: 37
Temperature: 1.350000
Total energy: -1820.579513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.579513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.802933 (E_RNA)
where:
Base-Base interactions energy: -1299.072
where: short stacking energy: -526.838
Base-Backbone interact. energy: -0.245
local terms energy: -547.486377
where:
bonds (distance) C4'-P energy: -106.478
bonds (distance) P-C4' energy: -105.617
flat angles C4'-P-C4' energy: -118.604
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: -158.500
Dist. restrs. and SS energy: 26.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2547.612132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.612132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.496531 (E_RNA)
where:
Base-Base interactions energy: -1782.670
where: short stacking energy: -735.843
Base-Backbone interact. energy: -1.364
local terms energy: -788.462927
where:
bonds (distance) C4'-P energy: -137.331
bonds (distance) P-C4' energy: -144.753
flat angles C4'-P-C4' energy: -153.983
flat angles P-C4'-P energy: -121.095
tors. eta vs tors. theta energy: -231.300
Dist. restrs. and SS energy: 24.884 (S_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: 38
Temperature: 0.950000
Total energy: -2494.030770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.030770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.093655 (E_RNA)
where:
Base-Base interactions energy: -1747.143
where: short stacking energy: -700.767
Base-Backbone interact. energy: -2.535
local terms energy: -756.416186
where:
bonds (distance) C4'-P energy: -137.861
bonds (distance) P-C4' energy: -142.468
flat angles C4'-P-C4' energy: -164.134
flat angles P-C4'-P energy: -97.903
tors. eta vs tors. theta energy: -214.050
Dist. restrs. and SS energy: 12.063 (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: 38
Temperature: 1.000000
Total energy: -2417.121779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.121779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.960791 (E_RNA)
where:
Base-Base interactions energy: -1708.463
where: short stacking energy: -709.132
Base-Backbone interact. energy: 0.270
local terms energy: -722.767733
where:
bonds (distance) C4'-P energy: -134.208
bonds (distance) P-C4' energy: -130.889
flat angles C4'-P-C4' energy: -142.684
flat angles P-C4'-P energy: -100.656
tors. eta vs tors. theta energy: -214.330
Dist. restrs. and SS energy: 13.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2299.736504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.736504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.074880 (E_RNA)
where:
Base-Base interactions energy: -1636.018
where: short stacking energy: -660.653
Base-Backbone interact. energy: 0.126
local terms energy: -686.182352
where:
bonds (distance) C4'-P energy: -120.463
bonds (distance) P-C4' energy: -119.065
flat angles C4'-P-C4' energy: -139.447
flat angles P-C4'-P energy: -103.500
tors. eta vs tors. theta energy: -203.707
Dist. restrs. and SS energy: 22.338 (S_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: -2272.351137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.351137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.667133 (E_RNA)
where:
Base-Base interactions energy: -1607.325
where: short stacking energy: -643.700
Base-Backbone interact. energy: -2.372
local terms energy: -674.970765
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -131.567
flat angles C4'-P-C4' energy: -142.533
flat angles P-C4'-P energy: -92.865
tors. eta vs tors. theta energy: -195.162
Dist. restrs. and SS energy: 12.316 (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: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2133.537372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.537372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.617591 (E_RNA)
where:
Base-Base interactions energy: -1520.582
where: short stacking energy: -606.922
Base-Backbone interact. energy: 0.274
local terms energy: -633.308858
where:
bonds (distance) C4'-P energy: -131.802
bonds (distance) P-C4' energy: -103.054
flat angles C4'-P-C4' energy: -130.477
flat angles P-C4'-P energy: -80.695
tors. eta vs tors. theta energy: -187.281
Dist. restrs. and SS energy: 20.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2023.072537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.316194 (E_RNA)
where:
Base-Base interactions energy: -1389.693
where: short stacking energy: -570.196
Base-Backbone interact. energy: -0.142
local terms energy: -655.481980
where:
bonds (distance) C4'-P energy: -126.044
bonds (distance) P-C4' energy: -138.386
flat angles C4'-P-C4' energy: -142.713
flat angles P-C4'-P energy: -82.249
tors. eta vs tors. theta energy: -166.089
Dist. restrs. and SS energy: 22.244 (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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2086.027240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.027240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.436752 (E_RNA)
where:
Base-Base interactions energy: -1477.647
where: short stacking energy: -588.406
Base-Backbone interact. energy: 0.559
local terms energy: -623.348990
where:
bonds (distance) C4'-P energy: -116.828
bonds (distance) P-C4' energy: -110.845
flat angles C4'-P-C4' energy: -112.322
flat angles P-C4'-P energy: -96.950
tors. eta vs tors. theta energy: -186.404
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: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1861.328555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.328555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.319393 (E_RNA)
where:
Base-Base interactions energy: -1320.065
where: short stacking energy: -543.997
Base-Backbone interact. energy: -1.829
local terms energy: -569.425741
where:
bonds (distance) C4'-P energy: -94.009
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -135.428
flat angles P-C4'-P energy: -77.086
tors. eta vs tors. theta energy: -152.856
Dist. restrs. and SS energy: 29.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1815.911101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.911101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.038458 (E_RNA)
where:
Base-Base interactions energy: -1297.422
where: short stacking energy: -516.478
Base-Backbone interact. energy: -1.009
local terms energy: -560.607056
where:
bonds (distance) C4'-P energy: -120.115
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -124.602
flat angles P-C4'-P energy: -62.208
tors. eta vs tors. theta energy: -143.015
Dist. restrs. and SS energy: 43.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2564.783550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.783550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.967844 (E_RNA)
where:
Base-Base interactions energy: -1805.203
where: short stacking energy: -770.130
Base-Backbone interact. energy: 0.138
local terms energy: -777.903014
where:
bonds (distance) C4'-P energy: -149.252
bonds (distance) P-C4' energy: -140.579
flat angles C4'-P-C4' energy: -159.115
flat angles P-C4'-P energy: -113.622
tors. eta vs tors. theta energy: -215.336
Dist. restrs. and SS energy: 18.184 (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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2506.360259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.360259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.799364 (E_RNA)
where:
Base-Base interactions energy: -1775.629
where: short stacking energy: -751.518
Base-Backbone interact. energy: -3.103
local terms energy: -744.066867
where:
bonds (distance) C4'-P energy: -124.670
bonds (distance) P-C4' energy: -133.043
flat angles C4'-P-C4' energy: -152.909
flat angles P-C4'-P energy: -105.830
tors. eta vs tors. theta energy: -227.616
Dist. restrs. and SS energy: 16.439 (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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2438.813811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.813811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.492577 (E_RNA)
where:
Base-Base interactions energy: -1713.219
where: short stacking energy: -689.554
Base-Backbone interact. energy: -1.144
local terms energy: -737.129648
where:
bonds (distance) C4'-P energy: -132.140
bonds (distance) P-C4' energy: -147.561
flat angles C4'-P-C4' energy: -147.366
flat angles P-C4'-P energy: -101.217
tors. eta vs tors. theta energy: -208.845
Dist. restrs. and SS energy: 12.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2318.150151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.900701 (E_RNA)
where:
Base-Base interactions energy: -1621.927
where: short stacking energy: -672.317
Base-Backbone interact. energy: -2.123
local terms energy: -710.850829
where:
bonds (distance) C4'-P energy: -117.461
bonds (distance) P-C4' energy: -136.359
flat angles C4'-P-C4' energy: -146.422
flat angles P-C4'-P energy: -103.264
tors. eta vs tors. theta energy: -207.344
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: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2301.015563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.015563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.481909 (E_RNA)
where:
Base-Base interactions energy: -1617.827
where: short stacking energy: -658.187
Base-Backbone interact. energy: -1.470
local terms energy: -707.185277
where:
bonds (distance) C4'-P energy: -116.148
bonds (distance) P-C4' energy: -131.532
flat angles C4'-P-C4' energy: -155.470
flat angles P-C4'-P energy: -93.625
tors. eta vs tors. theta energy: -210.411
Dist. restrs. and SS energy: 25.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2163.983477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.983477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.154975 (E_RNA)
where:
Base-Base interactions energy: -1517.292
where: short stacking energy: -632.467
Base-Backbone interact. energy: -3.189
local terms energy: -673.673979
where:
bonds (distance) C4'-P energy: -130.165
bonds (distance) P-C4' energy: -133.496
flat angles C4'-P-C4' energy: -139.814
flat angles P-C4'-P energy: -69.087
tors. eta vs tors. theta energy: -201.112
Dist. restrs. and SS energy: 30.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2043.645087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.645087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.077449 (E_RNA)
where:
Base-Base interactions energy: -1420.108
where: short stacking energy: -590.413
Base-Backbone interact. energy: 2.144
local terms energy: -652.113224
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -121.178
flat angles C4'-P-C4' energy: -136.806
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -179.330
Dist. restrs. and SS energy: 26.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2128.336318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.336318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.968048 (E_RNA)
where:
Base-Base interactions energy: -1538.737
where: short stacking energy: -647.534
Base-Backbone interact. energy: -3.316
local terms energy: -606.914342
where:
bonds (distance) C4'-P energy: -114.362
bonds (distance) P-C4' energy: -115.558
flat angles C4'-P-C4' energy: -117.344
flat angles P-C4'-P energy: -73.466
tors. eta vs tors. theta energy: -186.184
Dist. restrs. and SS energy: 20.632 (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: 39
Temperature: 1.300000
Total energy: -1928.806946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.806946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.596520 (E_RNA)
where:
Base-Base interactions energy: -1378.499
where: short stacking energy: -568.445
Base-Backbone interact. energy: -0.411
local terms energy: -580.686791
where:
bonds (distance) C4'-P energy: -81.715
bonds (distance) P-C4' energy: -118.705
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -88.193
tors. eta vs tors. theta energy: -164.709
Dist. restrs. and SS energy: 30.790 (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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1844.003355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.003355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.998997 (E_RNA)
where:
Base-Base interactions energy: -1334.696
where: short stacking energy: -530.279
Base-Backbone interact. energy: 1.605
local terms energy: -551.907985
where:
bonds (distance) C4'-P energy: -116.955
bonds (distance) P-C4' energy: -97.760
flat angles C4'-P-C4' energy: -124.743
flat angles P-C4'-P energy: -53.063
tors. eta vs tors. theta energy: -159.386
Dist. restrs. and SS energy: 40.996 (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: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2568.028484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.028484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.840914 (E_RNA)
where:
Base-Base interactions energy: -1816.945
where: short stacking energy: -739.804
Base-Backbone interact. energy: -2.951
local terms energy: -762.945542
where:
bonds (distance) C4'-P energy: -129.667
bonds (distance) P-C4' energy: -137.189
flat angles C4'-P-C4' energy: -161.609
flat angles P-C4'-P energy: -113.172
tors. eta vs tors. theta energy: -221.309
Dist. restrs. and SS energy: 14.812 (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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2498.947118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.947118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.684152 (E_RNA)
where:
Base-Base interactions energy: -1750.537
where: short stacking energy: -716.554
Base-Backbone interact. energy: -0.737
local terms energy: -765.410492
where:
bonds (distance) C4'-P energy: -126.960
bonds (distance) P-C4' energy: -147.955
flat angles C4'-P-C4' energy: -166.057
flat angles P-C4'-P energy: -112.201
tors. eta vs tors. theta energy: -212.238
Dist. restrs. and SS energy: 17.737 (S_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: 40
Temperature: 1.000000
Total energy: -2452.346313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.346313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.003266 (E_RNA)
where:
Base-Base interactions energy: -1748.461
where: short stacking energy: -713.378
Base-Backbone interact. energy: -1.759
local terms energy: -715.782995
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -137.105
flat angles C4'-P-C4' energy: -149.246
flat angles P-C4'-P energy: -93.073
tors. eta vs tors. theta energy: -217.196
Dist. restrs. and SS energy: 13.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2335.553228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.553228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.746492 (E_RNA)
where:
Base-Base interactions energy: -1630.221
where: short stacking energy: -669.060
Base-Backbone interact. energy: -2.893
local terms energy: -722.633076
where:
bonds (distance) C4'-P energy: -122.496
bonds (distance) P-C4' energy: -139.906
flat angles C4'-P-C4' energy: -156.132
flat angles P-C4'-P energy: -98.219
tors. eta vs tors. theta energy: -205.880
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: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2310.501556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.501556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.868299 (E_RNA)
where:
Base-Base interactions energy: -1622.078
where: short stacking energy: -660.747
Base-Backbone interact. energy: -1.898
local terms energy: -711.892232
where:
bonds (distance) C4'-P energy: -142.779
bonds (distance) P-C4' energy: -128.147
flat angles C4'-P-C4' energy: -143.558
flat angles P-C4'-P energy: -94.128
tors. eta vs tors. theta energy: -203.280
Dist. restrs. and SS energy: 25.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2160.074367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.074367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.983615 (E_RNA)
where:
Base-Base interactions energy: -1558.922
where: short stacking energy: -631.553
Base-Backbone interact. energy: -1.122
local terms energy: -618.939397
where:
bonds (distance) C4'-P energy: -106.156
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -129.321
flat angles P-C4'-P energy: -93.845
tors. eta vs tors. theta energy: -198.171
Dist. restrs. and SS energy: 18.909 (S_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: 40
Temperature: 1.200000
Total energy: -2188.724312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.724312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.887884 (E_RNA)
where:
Base-Base interactions energy: -1578.981
where: short stacking energy: -638.271
Base-Backbone interact. energy: -1.782
local terms energy: -620.124971
where:
bonds (distance) C4'-P energy: -101.376
bonds (distance) P-C4' energy: -104.329
flat angles C4'-P-C4' energy: -146.467
flat angles P-C4'-P energy: -74.205
tors. eta vs tors. theta energy: -193.749
Dist. restrs. and SS energy: 12.164 (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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1981.358511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.358511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.629096 (E_RNA)
where:
Base-Base interactions energy: -1391.054
where: short stacking energy: -554.760
Base-Backbone interact. energy: -4.633
local terms energy: -607.941959
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -126.669
flat angles P-C4'-P energy: -88.844
tors. eta vs tors. theta energy: -158.333
Dist. restrs. and SS energy: 22.271 (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: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1917.983136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.983136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.822002 (E_RNA)
where:
Base-Base interactions energy: -1367.691
where: short stacking energy: -562.519
Base-Backbone interact. energy: 3.727
local terms energy: -577.858499
where:
bonds (distance) C4'-P energy: -108.042
bonds (distance) P-C4' energy: -106.407
flat angles C4'-P-C4' energy: -134.704
flat angles P-C4'-P energy: -68.467
tors. eta vs tors. theta energy: -160.239
Dist. restrs. and SS energy: 23.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1805.910819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.910819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.040776 (E_RNA)
where:
Base-Base interactions energy: -1291.868
where: short stacking energy: -526.705
Base-Backbone interact. energy: 7.761
local terms energy: -548.933449
where:
bonds (distance) C4'-P energy: -94.217
bonds (distance) P-C4' energy: -110.907
flat angles C4'-P-C4' energy: -121.391
flat angles P-C4'-P energy: -68.916
tors. eta vs tors. theta energy: -153.502
Dist. restrs. and SS energy: 27.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2569.598475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.598475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.966136 (E_RNA)
where:
Base-Base interactions energy: -1810.415
where: short stacking energy: -725.426
Base-Backbone interact. energy: -0.265
local terms energy: -773.286975
where:
bonds (distance) C4'-P energy: -129.437
bonds (distance) P-C4' energy: -153.218
flat angles C4'-P-C4' energy: -157.004
flat angles P-C4'-P energy: -106.762
tors. eta vs tors. theta energy: -226.866
Dist. restrs. and SS energy: 14.368 (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: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2541.373952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.373952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.278545 (E_RNA)
where:
Base-Base interactions energy: -1778.571
where: short stacking energy: -762.406
Base-Backbone interact. energy: -1.199
local terms energy: -778.508901
where:
bonds (distance) C4'-P energy: -146.425
bonds (distance) P-C4' energy: -130.949
flat angles C4'-P-C4' energy: -161.724
flat angles P-C4'-P energy: -113.550
tors. eta vs tors. theta energy: -225.861
Dist. restrs. and SS energy: 16.905 (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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2392.952501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.952501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.003595 (E_RNA)
where:
Base-Base interactions energy: -1699.774
where: short stacking energy: -694.920
Base-Backbone interact. energy: 2.492
local terms energy: -708.721821
where:
bonds (distance) C4'-P energy: -130.177
bonds (distance) P-C4' energy: -129.701
flat angles C4'-P-C4' energy: -142.421
flat angles P-C4'-P energy: -104.049
tors. eta vs tors. theta energy: -202.374
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2326.488667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.488667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.424086 (E_RNA)
where:
Base-Base interactions energy: -1608.538
where: short stacking energy: -657.735
Base-Backbone interact. energy: -1.980
local terms energy: -731.905735
where:
bonds (distance) C4'-P energy: -141.308
bonds (distance) P-C4' energy: -147.550
flat angles C4'-P-C4' energy: -137.628
flat angles P-C4'-P energy: -106.712
tors. eta vs tors. theta energy: -198.707
Dist. restrs. and SS energy: 15.935 (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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2304.585966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.585966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.670668 (E_RNA)
where:
Base-Base interactions energy: -1597.121
where: short stacking energy: -650.915
Base-Backbone interact. energy: -2.613
local terms energy: -718.936473
where:
bonds (distance) C4'-P energy: -147.648
bonds (distance) P-C4' energy: -124.283
flat angles C4'-P-C4' energy: -145.611
flat angles P-C4'-P energy: -106.551
tors. eta vs tors. theta energy: -194.845
Dist. restrs. and SS energy: 14.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2147.763681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.763681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.769334 (E_RNA)
where:
Base-Base interactions energy: -1516.177
where: short stacking energy: -623.767
Base-Backbone interact. energy: -2.397
local terms energy: -655.194780
where:
bonds (distance) C4'-P energy: -130.529
bonds (distance) P-C4' energy: -115.967
flat angles C4'-P-C4' energy: -136.470
flat angles P-C4'-P energy: -88.955
tors. eta vs tors. theta energy: -183.275
Dist. restrs. and SS energy: 26.006 (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: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2182.677587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.677587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.234007 (E_RNA)
where:
Base-Base interactions energy: -1569.835
where: short stacking energy: -652.245
Base-Backbone interact. energy: 2.191
local terms energy: -630.589924
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -108.575
flat angles C4'-P-C4' energy: -150.699
flat angles P-C4'-P energy: -76.258
tors. eta vs tors. theta energy: -199.277
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: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1985.160339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.160339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.882641 (E_RNA)
where:
Base-Base interactions energy: -1427.599
where: short stacking energy: -586.172
Base-Backbone interact. energy: 6.465
local terms energy: -583.748483
where:
bonds (distance) C4'-P energy: -94.575
bonds (distance) P-C4' energy: -97.708
flat angles C4'-P-C4' energy: -127.487
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -176.050
Dist. restrs. and SS energy: 19.722 (S_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: 41
Temperature: 1.300000
Total energy: -1895.703073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.703073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.223412 (E_RNA)
where:
Base-Base interactions energy: -1329.328
where: short stacking energy: -530.917
Base-Backbone interact. energy: 1.963
local terms energy: -591.857941
where:
bonds (distance) C4'-P energy: -124.610
bonds (distance) P-C4' energy: -113.719
flat angles C4'-P-C4' energy: -129.614
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -150.822
Dist. restrs. and SS energy: 23.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1855.832256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.832256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.804056 (E_RNA)
where:
Base-Base interactions energy: -1323.336
where: short stacking energy: -551.148
Base-Backbone interact. energy: -0.401
local terms energy: -561.067177
where:
bonds (distance) C4'-P energy: -83.573
bonds (distance) P-C4' energy: -120.340
flat angles C4'-P-C4' energy: -118.063
flat angles P-C4'-P energy: -83.925
tors. eta vs tors. theta energy: -155.166
Dist. restrs. and SS energy: 28.972 (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: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2588.684294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.684294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.834140 (E_RNA)
where:
Base-Base interactions energy: -1833.220
where: short stacking energy: -741.905
Base-Backbone interact. energy: -0.017
local terms energy: -767.596962
where:
bonds (distance) C4'-P energy: -136.322
bonds (distance) P-C4' energy: -140.966
flat angles C4'-P-C4' energy: -154.732
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -222.864
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: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2506.688630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.688630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.816485 (E_RNA)
where:
Base-Base interactions energy: -1755.221
where: short stacking energy: -721.567
Base-Backbone interact. energy: -4.945
local terms energy: -762.650423
where:
bonds (distance) C4'-P energy: -144.843
bonds (distance) P-C4' energy: -137.999
flat angles C4'-P-C4' energy: -147.812
flat angles P-C4'-P energy: -116.633
tors. eta vs tors. theta energy: -215.364
Dist. restrs. and SS energy: 16.128 (S_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: 42
Temperature: 1.000000
Total energy: -2417.047352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.047352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.347573 (E_RNA)
where:
Base-Base interactions energy: -1710.553
where: short stacking energy: -694.796
Base-Backbone interact. energy: -1.710
local terms energy: -722.083741
where:
bonds (distance) C4'-P energy: -122.054
bonds (distance) P-C4' energy: -130.198
flat angles C4'-P-C4' energy: -155.082
flat angles P-C4'-P energy: -109.117
tors. eta vs tors. theta energy: -205.633
Dist. restrs. and SS energy: 17.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2347.319846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.319846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.362869 (E_RNA)
where:
Base-Base interactions energy: -1666.156
where: short stacking energy: -681.821
Base-Backbone interact. energy: -1.304
local terms energy: -696.902977
where:
bonds (distance) C4'-P energy: -127.112
bonds (distance) P-C4' energy: -141.198
flat angles C4'-P-C4' energy: -145.978
flat angles P-C4'-P energy: -81.412
tors. eta vs tors. theta energy: -201.204
Dist. restrs. and SS energy: 17.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2242.732853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.732853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.802806 (E_RNA)
where:
Base-Base interactions energy: -1585.062
where: short stacking energy: -656.090
Base-Backbone interact. energy: -3.215
local terms energy: -668.526231
where:
bonds (distance) C4'-P energy: -128.232
bonds (distance) P-C4' energy: -120.264
flat angles C4'-P-C4' energy: -149.307
flat angles P-C4'-P energy: -71.883
tors. eta vs tors. theta energy: -198.840
Dist. restrs. and SS energy: 14.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2188.744627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.744627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.232102 (E_RNA)
where:
Base-Base interactions energy: -1543.663
where: short stacking energy: -620.540
Base-Backbone interact. energy: -1.021
local terms energy: -666.548312
where:
bonds (distance) C4'-P energy: -124.259
bonds (distance) P-C4' energy: -107.496
flat angles C4'-P-C4' energy: -146.003
flat angles P-C4'-P energy: -97.204
tors. eta vs tors. theta energy: -191.586
Dist. restrs. and SS energy: 22.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2220.434706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.434706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.217945 (E_RNA)
where:
Base-Base interactions energy: -1565.313
where: short stacking energy: -642.563
Base-Backbone interact. energy: -1.639
local terms energy: -671.266796
where:
bonds (distance) C4'-P energy: -121.927
bonds (distance) P-C4' energy: -131.147
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -86.401
tors. eta vs tors. theta energy: -207.089
Dist. restrs. and SS energy: 17.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1993.451331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.451331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.625164 (E_RNA)
where:
Base-Base interactions energy: -1449.246
where: short stacking energy: -580.939
Base-Backbone interact. energy: 2.421
local terms energy: -563.800261
where:
bonds (distance) C4'-P energy: -96.649
bonds (distance) P-C4' energy: -106.943
flat angles C4'-P-C4' energy: -125.547
flat angles P-C4'-P energy: -73.993
tors. eta vs tors. theta energy: -160.667
Dist. restrs. and SS energy: 17.174 (S_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: 42
Temperature: 1.300000
Total energy: -1929.579512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.579512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.810552 (E_RNA)
where:
Base-Base interactions energy: -1368.851
where: short stacking energy: -561.689
Base-Backbone interact. energy: -4.316
local terms energy: -590.643600
where:
bonds (distance) C4'-P energy: -120.508
bonds (distance) P-C4' energy: -89.867
flat angles C4'-P-C4' energy: -135.571
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -166.203
Dist. restrs. and SS energy: 34.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1823.788334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.788334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.730213 (E_RNA)
where:
Base-Base interactions energy: -1310.324
where: short stacking energy: -519.978
Base-Backbone interact. energy: -4.693
local terms energy: -527.713006
where:
bonds (distance) C4'-P energy: -99.796
bonds (distance) P-C4' energy: -94.001
flat angles C4'-P-C4' energy: -143.367
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -145.860
Dist. restrs. and SS energy: 18.942 (S_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: 43
Temperature: 0.900000
Total energy: -2572.441205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.441205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.984040 (E_RNA)
where:
Base-Base interactions energy: -1826.610
where: short stacking energy: -743.879
Base-Backbone interact. energy: -4.907
local terms energy: -750.466687
where:
bonds (distance) C4'-P energy: -141.377
bonds (distance) P-C4' energy: -135.350
flat angles C4'-P-C4' energy: -152.579
flat angles P-C4'-P energy: -100.925
tors. eta vs tors. theta energy: -220.236
Dist. restrs. and SS energy: 9.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2537.017888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.017888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.423557 (E_RNA)
where:
Base-Base interactions energy: -1773.920
where: short stacking energy: -755.208
Base-Backbone interact. energy: -0.410
local terms energy: -781.093563
where:
bonds (distance) C4'-P energy: -149.336
bonds (distance) P-C4' energy: -133.743
flat angles C4'-P-C4' energy: -163.520
flat angles P-C4'-P energy: -103.935
tors. eta vs tors. theta energy: -230.560
Dist. restrs. and SS energy: 18.406 (S_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: 43
Temperature: 1.000000
Total energy: -2396.485145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.485145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.983796 (E_RNA)
where:
Base-Base interactions energy: -1705.942
where: short stacking energy: -712.746
Base-Backbone interact. energy: -1.241
local terms energy: -706.801006
where:
bonds (distance) C4'-P energy: -129.481
bonds (distance) P-C4' energy: -134.377
flat angles C4'-P-C4' energy: -128.783
flat angles P-C4'-P energy: -97.169
tors. eta vs tors. theta energy: -216.990
Dist. restrs. and SS energy: 17.499 (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: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2358.923818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.923818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.004742 (E_RNA)
where:
Base-Base interactions energy: -1674.545
where: short stacking energy: -692.994
Base-Backbone interact. energy: -2.037
local terms energy: -701.422471
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -113.040
flat angles C4'-P-C4' energy: -151.907
flat angles P-C4'-P energy: -94.956
tors. eta vs tors. theta energy: -211.677
Dist. restrs. and SS energy: 19.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2309.296315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.296315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.877979 (E_RNA)
where:
Base-Base interactions energy: -1630.505
where: short stacking energy: -665.520
Base-Backbone interact. energy: -1.265
local terms energy: -696.108213
where:
bonds (distance) C4'-P energy: -118.855
bonds (distance) P-C4' energy: -127.861
flat angles C4'-P-C4' energy: -141.305
flat angles P-C4'-P energy: -98.388
tors. eta vs tors. theta energy: -209.698
Dist. restrs. and SS energy: 18.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2306.495076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.495076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.893581 (E_RNA)
where:
Base-Base interactions energy: -1640.373
where: short stacking energy: -682.283
Base-Backbone interact. energy: -1.983
local terms energy: -678.537997
where:
bonds (distance) C4'-P energy: -110.297
bonds (distance) P-C4' energy: -130.575
flat angles C4'-P-C4' energy: -132.740
flat angles P-C4'-P energy: -95.121
tors. eta vs tors. theta energy: -209.805
Dist. restrs. and SS energy: 14.399 (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: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2085.811948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.811948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.578650 (E_RNA)
where:
Base-Base interactions energy: -1491.248
where: short stacking energy: -606.485
Base-Backbone interact. energy: -2.091
local terms energy: -612.239649
where:
bonds (distance) C4'-P energy: -101.505
bonds (distance) P-C4' energy: -117.061
flat angles C4'-P-C4' energy: -123.462
flat angles P-C4'-P energy: -85.226
tors. eta vs tors. theta energy: -184.986
Dist. restrs. and SS energy: 19.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2029.285588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.285588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.058088 (E_RNA)
where:
Base-Base interactions energy: -1465.080
where: short stacking energy: -592.175
Base-Backbone interact. energy: -2.852
local terms energy: -580.125963
where:
bonds (distance) C4'-P energy: -102.183
bonds (distance) P-C4' energy: -115.968
flat angles C4'-P-C4' energy: -115.899
flat angles P-C4'-P energy: -79.365
tors. eta vs tors. theta energy: -166.711
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: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1897.527848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.527848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.428922 (E_RNA)
where:
Base-Base interactions energy: -1316.417
where: short stacking energy: -538.707
Base-Backbone interact. energy: -1.992
local terms energy: -605.019483
where:
bonds (distance) C4'-P energy: -118.859
bonds (distance) P-C4' energy: -105.943
flat angles C4'-P-C4' energy: -133.208
flat angles P-C4'-P energy: -88.157
tors. eta vs tors. theta energy: -158.852
Dist. restrs. and SS energy: 25.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1777.751488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.751488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.770019 (E_RNA)
where:
Base-Base interactions energy: -1241.320
where: short stacking energy: -514.781
Base-Backbone interact. energy: 2.848
local terms energy: -576.298351
where:
bonds (distance) C4'-P energy: -114.398
bonds (distance) P-C4' energy: -106.436
flat angles C4'-P-C4' energy: -138.784
flat angles P-C4'-P energy: -66.860
tors. eta vs tors. theta energy: -149.821
Dist. restrs. and SS energy: 37.019 (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: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2607.922848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.922848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.067603 (E_RNA)
where:
Base-Base interactions energy: -1857.935
where: short stacking energy: -749.012
Base-Backbone interact. energy: -5.216
local terms energy: -752.916367
where:
bonds (distance) C4'-P energy: -134.003
bonds (distance) P-C4' energy: -132.321
flat angles C4'-P-C4' energy: -157.763
flat angles P-C4'-P energy: -104.474
tors. eta vs tors. theta energy: -224.355
Dist. restrs. and SS energy: 8.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2502.389961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.389961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.416358 (E_RNA)
where:
Base-Base interactions energy: -1753.930
where: short stacking energy: -728.111
Base-Backbone interact. energy: -2.001
local terms energy: -767.485448
where:
bonds (distance) C4'-P energy: -141.909
bonds (distance) P-C4' energy: -127.806
flat angles C4'-P-C4' energy: -164.512
flat angles P-C4'-P energy: -110.360
tors. eta vs tors. theta energy: -222.900
Dist. restrs. and SS energy: 21.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2459.320760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.320760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.983658 (E_RNA)
where:
Base-Base interactions energy: -1734.479
where: short stacking energy: -715.131
Base-Backbone interact. energy: 0.191
local terms energy: -732.695610
where:
bonds (distance) C4'-P energy: -130.799
bonds (distance) P-C4' energy: -141.416
flat angles C4'-P-C4' energy: -143.632
flat angles P-C4'-P energy: -99.370
tors. eta vs tors. theta energy: -217.480
Dist. restrs. and SS energy: 7.663 (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: 44
Temperature: 1.050000
Total energy: -2362.394538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.394538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.091382 (E_RNA)
where:
Base-Base interactions energy: -1683.324
where: short stacking energy: -701.515
Base-Backbone interact. energy: -0.800
local terms energy: -697.967351
where:
bonds (distance) C4'-P energy: -107.941
bonds (distance) P-C4' energy: -140.176
flat angles C4'-P-C4' energy: -143.247
flat angles P-C4'-P energy: -99.971
tors. eta vs tors. theta energy: -206.632
Dist. restrs. and SS energy: 19.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2337.044617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.044617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.639213 (E_RNA)
where:
Base-Base interactions energy: -1667.757
where: short stacking energy: -699.268
Base-Backbone interact. energy: -1.044
local terms energy: -680.838618
where:
bonds (distance) C4'-P energy: -125.592
bonds (distance) P-C4' energy: -119.696
flat angles C4'-P-C4' energy: -133.375
flat angles P-C4'-P energy: -95.860
tors. eta vs tors. theta energy: -206.315
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: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2242.736427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.736427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.608984 (E_RNA)
where:
Base-Base interactions energy: -1560.625
where: short stacking energy: -660.783
Base-Backbone interact. energy: -3.494
local terms energy: -697.490628
where:
bonds (distance) C4'-P energy: -117.073
bonds (distance) P-C4' energy: -122.914
flat angles C4'-P-C4' energy: -162.048
flat angles P-C4'-P energy: -89.142
tors. eta vs tors. theta energy: -206.314
Dist. restrs. and SS energy: 18.873 (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: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2123.527953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.527953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.522244 (E_RNA)
where:
Base-Base interactions energy: -1496.770
where: short stacking energy: -607.129
Base-Backbone interact. energy: -3.361
local terms energy: -647.391309
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -142.239
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -176.662
Dist. restrs. and SS energy: 23.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2005.338649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.338649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.554328 (E_RNA)
where:
Base-Base interactions energy: -1401.141
where: short stacking energy: -551.999
Base-Backbone interact. energy: 2.809
local terms energy: -622.222355
where:
bonds (distance) C4'-P energy: -114.694
bonds (distance) P-C4' energy: -128.323
flat angles C4'-P-C4' energy: -131.082
flat angles P-C4'-P energy: -73.965
tors. eta vs tors. theta energy: -174.159
Dist. restrs. and SS energy: 15.216 (S_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: 44
Temperature: 1.300000
Total energy: -1852.742827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.742827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.091657 (E_RNA)
where:
Base-Base interactions energy: -1299.680
where: short stacking energy: -543.170
Base-Backbone interact. energy: -0.987
local terms energy: -580.424622
where:
bonds (distance) C4'-P energy: -100.078
bonds (distance) P-C4' energy: -123.022
flat angles C4'-P-C4' energy: -126.521
flat angles P-C4'-P energy: -54.666
tors. eta vs tors. theta energy: -176.138
Dist. restrs. and SS energy: 28.349 (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: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1793.923839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.923839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.202787 (E_RNA)
where:
Base-Base interactions energy: -1242.488
where: short stacking energy: -510.331
Base-Backbone interact. energy: -1.284
local terms energy: -580.430330
where:
bonds (distance) C4'-P energy: -118.161
bonds (distance) P-C4' energy: -124.703
flat angles C4'-P-C4' energy: -126.498
flat angles P-C4'-P energy: -62.093
tors. eta vs tors. theta energy: -148.975
Dist. restrs. and SS energy: 30.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2584.612389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.612389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.524736 (E_RNA)
where:
Base-Base interactions energy: -1818.510
where: short stacking energy: -742.691
Base-Backbone interact. energy: -3.713
local terms energy: -773.302014
where:
bonds (distance) C4'-P energy: -130.734
bonds (distance) P-C4' energy: -152.867
flat angles C4'-P-C4' energy: -147.835
flat angles P-C4'-P energy: -118.692
tors. eta vs tors. theta energy: -223.173
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: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2524.090012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.090012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.103167 (E_RNA)
where:
Base-Base interactions energy: -1789.577
where: short stacking energy: -754.726
Base-Backbone interact. energy: -0.828
local terms energy: -749.697748
where:
bonds (distance) C4'-P energy: -130.917
bonds (distance) P-C4' energy: -122.414
flat angles C4'-P-C4' energy: -148.764
flat angles P-C4'-P energy: -115.359
tors. eta vs tors. theta energy: -232.243
Dist. restrs. and SS energy: 16.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2454.757137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.757137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.517701 (E_RNA)
where:
Base-Base interactions energy: -1731.707
where: short stacking energy: -684.917
Base-Backbone interact. energy: -0.023
local terms energy: -736.787365
where:
bonds (distance) C4'-P energy: -145.788
bonds (distance) P-C4' energy: -127.312
flat angles C4'-P-C4' energy: -148.946
flat angles P-C4'-P energy: -101.977
tors. eta vs tors. theta energy: -212.763
Dist. restrs. and SS energy: 13.761 (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: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2442.301031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.301031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.890740 (E_RNA)
where:
Base-Base interactions energy: -1736.590
where: short stacking energy: -715.061
Base-Backbone interact. energy: -0.665
local terms energy: -715.636032
where:
bonds (distance) C4'-P energy: -119.799
bonds (distance) P-C4' energy: -124.750
flat angles C4'-P-C4' energy: -144.666
flat angles P-C4'-P energy: -105.387
tors. eta vs tors. theta energy: -221.035
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: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2288.001693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.001693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.503940 (E_RNA)
where:
Base-Base interactions energy: -1591.319
where: short stacking energy: -637.343
Base-Backbone interact. energy: -1.176
local terms energy: -715.009202
where:
bonds (distance) C4'-P energy: -140.607
bonds (distance) P-C4' energy: -134.296
flat angles C4'-P-C4' energy: -139.311
flat angles P-C4'-P energy: -103.370
tors. eta vs tors. theta energy: -197.426
Dist. restrs. and SS energy: 19.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2265.971794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.971794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.074690 (E_RNA)
where:
Base-Base interactions energy: -1602.694
where: short stacking energy: -647.031
Base-Backbone interact. energy: 3.517
local terms energy: -684.897534
where:
bonds (distance) C4'-P energy: -123.868
bonds (distance) P-C4' energy: -131.260
flat angles C4'-P-C4' energy: -136.991
flat angles P-C4'-P energy: -98.564
tors. eta vs tors. theta energy: -194.215
Dist. restrs. and SS energy: 18.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2118.759829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.759829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.865874 (E_RNA)
where:
Base-Base interactions energy: -1508.815
where: short stacking energy: -627.858
Base-Backbone interact. energy: 3.320
local terms energy: -634.370746
where:
bonds (distance) C4'-P energy: -112.863
bonds (distance) P-C4' energy: -122.228
flat angles C4'-P-C4' energy: -119.867
flat angles P-C4'-P energy: -85.542
tors. eta vs tors. theta energy: -193.871
Dist. restrs. and SS energy: 21.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2027.601998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.601998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.942135 (E_RNA)
where:
Base-Base interactions energy: -1423.181
where: short stacking energy: -601.398
Base-Backbone interact. energy: -2.118
local terms energy: -621.642794
where:
bonds (distance) C4'-P energy: -109.615
bonds (distance) P-C4' energy: -102.690
flat angles C4'-P-C4' energy: -137.177
flat angles P-C4'-P energy: -87.663
tors. eta vs tors. theta energy: -184.498
Dist. restrs. and SS energy: 19.340 (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: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1892.736650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.736650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.093076 (E_RNA)
where:
Base-Base interactions energy: -1338.883
where: short stacking energy: -539.164
Base-Backbone interact. energy: -1.828
local terms energy: -576.381539
where:
bonds (distance) C4'-P energy: -109.309
bonds (distance) P-C4' energy: -120.847
flat angles C4'-P-C4' energy: -122.417
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: -156.883
Dist. restrs. and SS energy: 24.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1831.221017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.221017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.372677 (E_RNA)
where:
Base-Base interactions energy: -1322.204
where: short stacking energy: -536.005
Base-Backbone interact. energy: -2.596
local terms energy: -546.572276
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -123.555
flat angles P-C4'-P energy: -70.165
tors. eta vs tors. theta energy: -162.458
Dist. restrs. and SS energy: 40.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2602.531756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.531756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.596797 (E_RNA)
where:
Base-Base interactions energy: -1839.201
where: short stacking energy: -739.522
Base-Backbone interact. energy: -1.328
local terms energy: -772.067157
where:
bonds (distance) C4'-P energy: -133.558
bonds (distance) P-C4' energy: -151.162
flat angles C4'-P-C4' energy: -159.784
flat angles P-C4'-P energy: -103.857
tors. eta vs tors. theta energy: -223.706
Dist. restrs. and SS energy: 10.065 (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: 46
Temperature: 0.950000
Total energy: -2522.495915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.495915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.919735 (E_RNA)
where:
Base-Base interactions energy: -1791.475
where: short stacking energy: -740.606
Base-Backbone interact. energy: -0.619
local terms energy: -749.825662
where:
bonds (distance) C4'-P energy: -144.456
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -152.617
flat angles P-C4'-P energy: -98.778
tors. eta vs tors. theta energy: -224.365
Dist. restrs. and SS energy: 19.424 (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: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2484.502999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.502999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.367075 (E_RNA)
where:
Base-Base interactions energy: -1759.719
where: short stacking energy: -739.886
Base-Backbone interact. energy: -1.116
local terms energy: -737.531830
where:
bonds (distance) C4'-P energy: -138.023
bonds (distance) P-C4' energy: -121.685
flat angles C4'-P-C4' energy: -163.767
flat angles P-C4'-P energy: -90.327
tors. eta vs tors. theta energy: -223.730
Dist. restrs. and SS energy: 13.864 (S_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: 46
Temperature: 1.050000
Total energy: -2400.352107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.352107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.353607 (E_RNA)
where:
Base-Base interactions energy: -1678.568
where: short stacking energy: -690.528
Base-Backbone interact. energy: -1.709
local terms energy: -732.076658
where:
bonds (distance) C4'-P energy: -132.481
bonds (distance) P-C4' energy: -122.925
flat angles C4'-P-C4' energy: -137.794
flat angles P-C4'-P energy: -122.453
tors. eta vs tors. theta energy: -216.424
Dist. restrs. and SS energy: 12.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2300.857769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.857769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.472766 (E_RNA)
where:
Base-Base interactions energy: -1618.050
where: short stacking energy: -640.367
Base-Backbone interact. energy: -2.437
local terms energy: -697.985880
where:
bonds (distance) C4'-P energy: -143.193
bonds (distance) P-C4' energy: -128.380
flat angles C4'-P-C4' energy: -136.444
flat angles P-C4'-P energy: -88.563
tors. eta vs tors. theta energy: -201.406
Dist. restrs. and SS energy: 17.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2277.329136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.329136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.157592 (E_RNA)
where:
Base-Base interactions energy: -1586.195
where: short stacking energy: -666.330
Base-Backbone interact. energy: -3.614
local terms energy: -716.349180
where:
bonds (distance) C4'-P energy: -133.205
bonds (distance) P-C4' energy: -115.315
flat angles C4'-P-C4' energy: -161.971
flat angles P-C4'-P energy: -100.964
tors. eta vs tors. theta energy: -204.894
Dist. restrs. and SS energy: 28.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2151.854500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.854500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.446691 (E_RNA)
where:
Base-Base interactions energy: -1508.927
where: short stacking energy: -586.889
Base-Backbone interact. energy: -4.609
local terms energy: -657.911141
where:
bonds (distance) C4'-P energy: -115.664
bonds (distance) P-C4' energy: -127.430
flat angles C4'-P-C4' energy: -151.281
flat angles P-C4'-P energy: -83.353
tors. eta vs tors. theta energy: -180.182
Dist. restrs. and SS energy: 19.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2008.952386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.395722 (E_RNA)
where:
Base-Base interactions energy: -1413.352
where: short stacking energy: -557.857
Base-Backbone interact. energy: 1.004
local terms energy: -617.046943
where:
bonds (distance) C4'-P energy: -117.989
bonds (distance) P-C4' energy: -124.153
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -70.479
tors. eta vs tors. theta energy: -161.472
Dist. restrs. and SS energy: 20.443 (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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1897.788939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.788939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.720215 (E_RNA)
where:
Base-Base interactions energy: -1316.089
where: short stacking energy: -525.200
Base-Backbone interact. energy: -2.029
local terms energy: -597.601593
where:
bonds (distance) C4'-P energy: -108.687
bonds (distance) P-C4' energy: -128.117
flat angles C4'-P-C4' energy: -126.771
flat angles P-C4'-P energy: -75.034
tors. eta vs tors. theta energy: -158.992
Dist. restrs. and SS energy: 17.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1829.260517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.260517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.684431 (E_RNA)
where:
Base-Base interactions energy: -1302.808
where: short stacking energy: -532.627
Base-Backbone interact. energy: -4.537
local terms energy: -540.340031
where:
bonds (distance) C4'-P energy: -111.232
bonds (distance) P-C4' energy: -103.318
flat angles C4'-P-C4' energy: -116.501
flat angles P-C4'-P energy: -66.630
tors. eta vs tors. theta energy: -142.660
Dist. restrs. and SS energy: 18.424 (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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2592.215103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.215103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.266286 (E_RNA)
where:
Base-Base interactions energy: -1816.367
where: short stacking energy: -734.698
Base-Backbone interact. energy: -1.686
local terms energy: -787.212709
where:
bonds (distance) C4'-P energy: -146.031
bonds (distance) P-C4' energy: -158.250
flat angles C4'-P-C4' energy: -157.921
flat angles P-C4'-P energy: -105.039
tors. eta vs tors. theta energy: -219.972
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: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2551.662619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.606639 (E_RNA)
where:
Base-Base interactions energy: -1827.173
where: short stacking energy: -730.878
Base-Backbone interact. energy: -3.455
local terms energy: -730.978536
where:
bonds (distance) C4'-P energy: -132.387
bonds (distance) P-C4' energy: -122.561
flat angles C4'-P-C4' energy: -158.869
flat angles P-C4'-P energy: -94.126
tors. eta vs tors. theta energy: -223.035
Dist. restrs. and SS energy: 9.944 (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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2485.518080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.394886 (E_RNA)
where:
Base-Base interactions energy: -1761.937
where: short stacking energy: -745.154
Base-Backbone interact. energy: -2.651
local terms energy: -735.806699
where:
bonds (distance) C4'-P energy: -121.422
bonds (distance) P-C4' energy: -146.654
flat angles C4'-P-C4' energy: -152.588
flat angles P-C4'-P energy: -94.206
tors. eta vs tors. theta energy: -220.937
Dist. restrs. and SS energy: 14.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2358.915970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.915970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.092854 (E_RNA)
where:
Base-Base interactions energy: -1659.071
where: short stacking energy: -669.255
Base-Backbone interact. energy: -0.318
local terms energy: -718.704827
where:
bonds (distance) C4'-P energy: -143.789
bonds (distance) P-C4' energy: -123.244
flat angles C4'-P-C4' energy: -147.274
flat angles P-C4'-P energy: -89.119
tors. eta vs tors. theta energy: -215.279
Dist. restrs. and SS energy: 19.177 (S_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: 47
Temperature: 1.100000
Total energy: -2262.012181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.012181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.417541 (E_RNA)
where:
Base-Base interactions energy: -1562.623
where: short stacking energy: -640.940
Base-Backbone interact. energy: 0.415
local terms energy: -719.209658
where:
bonds (distance) C4'-P energy: -144.679
bonds (distance) P-C4' energy: -131.832
flat angles C4'-P-C4' energy: -147.293
flat angles P-C4'-P energy: -89.337
tors. eta vs tors. theta energy: -206.070
Dist. restrs. and SS energy: 19.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2236.248184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.248184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.286209 (E_RNA)
where:
Base-Base interactions energy: -1577.312
where: short stacking energy: -664.045
Base-Backbone interact. energy: -2.018
local terms energy: -682.956469
where:
bonds (distance) C4'-P energy: -124.937
bonds (distance) P-C4' energy: -128.710
flat angles C4'-P-C4' energy: -145.428
flat angles P-C4'-P energy: -85.872
tors. eta vs tors. theta energy: -198.010
Dist. restrs. and SS energy: 26.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2207.219436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.219436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.876001 (E_RNA)
where:
Base-Base interactions energy: -1586.801
where: short stacking energy: -633.445
Base-Backbone interact. energy: -2.840
local terms energy: -642.234607
where:
bonds (distance) C4'-P energy: -109.295
bonds (distance) P-C4' energy: -111.613
flat angles C4'-P-C4' energy: -136.008
flat angles P-C4'-P energy: -96.435
tors. eta vs tors. theta energy: -188.883
Dist. restrs. and SS energy: 24.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1973.714654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.714654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.099350 (E_RNA)
where:
Base-Base interactions energy: -1394.373
where: short stacking energy: -565.951
Base-Backbone interact. energy: -0.547
local terms energy: -605.179335
where:
bonds (distance) C4'-P energy: -111.185
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -138.907
flat angles P-C4'-P energy: -69.909
tors. eta vs tors. theta energy: -173.409
Dist. restrs. and SS energy: 26.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1899.187019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.187019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.231110 (E_RNA)
where:
Base-Base interactions energy: -1377.949
where: short stacking energy: -553.654
Base-Backbone interact. energy: 1.451
local terms energy: -553.733021
where:
bonds (distance) C4'-P energy: -103.887
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -115.706
flat angles P-C4'-P energy: -81.383
tors. eta vs tors. theta energy: -157.116
Dist. restrs. and SS energy: 31.044 (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: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1810.229698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.948980 (E_RNA)
where:
Base-Base interactions energy: -1278.290
where: short stacking energy: -486.405
Base-Backbone interact. energy: -2.241
local terms energy: -556.417985
where:
bonds (distance) C4'-P energy: -109.827
bonds (distance) P-C4' energy: -114.459
flat angles C4'-P-C4' energy: -122.571
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -144.259
Dist. restrs. and SS energy: 26.719 (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: 48
Temperature: 0.900000
Total energy: -2579.685225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.685225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.237455 (E_RNA)
where:
Base-Base interactions energy: -1826.708
where: short stacking energy: -737.272
Base-Backbone interact. energy: -0.555
local terms energy: -765.974408
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -139.069
flat angles C4'-P-C4' energy: -155.682
flat angles P-C4'-P energy: -114.020
tors. eta vs tors. theta energy: -216.679
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: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2548.706694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.706694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.807818 (E_RNA)
where:
Base-Base interactions energy: -1801.583
where: short stacking energy: -754.679
Base-Backbone interact. energy: -0.532
local terms energy: -756.692850
where:
bonds (distance) C4'-P energy: -128.937
bonds (distance) P-C4' energy: -142.053
flat angles C4'-P-C4' energy: -155.442
flat angles P-C4'-P energy: -99.605
tors. eta vs tors. theta energy: -230.655
Dist. restrs. and SS energy: 10.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2453.414355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.414355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.834550 (E_RNA)
where:
Base-Base interactions energy: -1738.555
where: short stacking energy: -693.481
Base-Backbone interact. energy: -1.843
local terms energy: -726.436345
where:
bonds (distance) C4'-P energy: -118.278
bonds (distance) P-C4' energy: -127.931
flat angles C4'-P-C4' energy: -173.616
flat angles P-C4'-P energy: -96.074
tors. eta vs tors. theta energy: -210.538
Dist. restrs. and SS energy: 13.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2387.500181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.500181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.259047 (E_RNA)
where:
Base-Base interactions energy: -1675.660
where: short stacking energy: -696.214
Base-Backbone interact. energy: -4.525
local terms energy: -731.074240
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -133.167
flat angles C4'-P-C4' energy: -141.018
flat angles P-C4'-P energy: -109.769
tors. eta vs tors. theta energy: -221.689
Dist. restrs. and SS energy: 23.759 (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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2290.693187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.693187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.002926 (E_RNA)
where:
Base-Base interactions energy: -1587.192
where: short stacking energy: -644.880
Base-Backbone interact. energy: -1.225
local terms energy: -723.586660
where:
bonds (distance) C4'-P energy: -132.869
bonds (distance) P-C4' energy: -146.216
flat angles C4'-P-C4' energy: -144.649
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -204.846
Dist. restrs. and SS energy: 21.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2242.354207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.354207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.613956 (E_RNA)
where:
Base-Base interactions energy: -1571.587
where: short stacking energy: -644.116
Base-Backbone interact. energy: -0.938
local terms energy: -683.088385
where:
bonds (distance) C4'-P energy: -123.675
bonds (distance) P-C4' energy: -137.466
flat angles C4'-P-C4' energy: -128.534
flat angles P-C4'-P energy: -93.215
tors. eta vs tors. theta energy: -200.199
Dist. restrs. and SS energy: 13.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2211.976918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.976918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.999646 (E_RNA)
where:
Base-Base interactions energy: -1595.476
where: short stacking energy: -637.074
Base-Backbone interact. energy: -1.980
local terms energy: -636.543523
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -111.720
flat angles C4'-P-C4' energy: -126.338
flat angles P-C4'-P energy: -101.236
tors. eta vs tors. theta energy: -194.391
Dist. restrs. and SS energy: 22.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -2010.433171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.433171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.020299 (E_RNA)
where:
Base-Base interactions energy: -1452.384
where: short stacking energy: -581.334
Base-Backbone interact. energy: 3.406
local terms energy: -588.043190
where:
bonds (distance) C4'-P energy: -101.211
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -122.904
flat angles P-C4'-P energy: -90.630
tors. eta vs tors. theta energy: -168.049
Dist. restrs. and SS energy: 26.587 (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: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1960.599944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.599944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.354444 (E_RNA)
where:
Base-Base interactions energy: -1398.476
where: short stacking energy: -568.681
Base-Backbone interact. energy: -1.128
local terms energy: -585.750504
where:
bonds (distance) C4'-P energy: -107.176
bonds (distance) P-C4' energy: -104.029
flat angles C4'-P-C4' energy: -129.955
flat angles P-C4'-P energy: -83.526
tors. eta vs tors. theta energy: -161.065
Dist. restrs. and SS energy: 24.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1829.897299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.897299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.174968 (E_RNA)
where:
Base-Base interactions energy: -1277.435
where: short stacking energy: -517.183
Base-Backbone interact. energy: -3.861
local terms energy: -574.878946
where:
bonds (distance) C4'-P energy: -113.954
bonds (distance) P-C4' energy: -116.244
flat angles C4'-P-C4' energy: -124.544
flat angles P-C4'-P energy: -71.712
tors. eta vs tors. theta energy: -148.424
Dist. restrs. and SS energy: 26.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2581.744570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.744570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.905199 (E_RNA)
where:
Base-Base interactions energy: -1822.281
where: short stacking energy: -733.107
Base-Backbone interact. energy: -2.948
local terms energy: -765.676649
where:
bonds (distance) C4'-P energy: -137.573
bonds (distance) P-C4' energy: -143.505
flat angles C4'-P-C4' energy: -162.457
flat angles P-C4'-P energy: -100.547
tors. eta vs tors. theta energy: -221.595
Dist. restrs. and SS energy: 9.161 (S_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: 49
Temperature: 0.950000
Total energy: -2553.945043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.945043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.594639 (E_RNA)
where:
Base-Base interactions energy: -1798.462
where: short stacking energy: -733.782
Base-Backbone interact. energy: 0.275
local terms energy: -769.407181
where:
bonds (distance) C4'-P energy: -126.794
bonds (distance) P-C4' energy: -143.524
flat angles C4'-P-C4' energy: -160.438
flat angles P-C4'-P energy: -111.760
tors. eta vs tors. theta energy: -226.890
Dist. restrs. and SS energy: 13.650 (S_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: 49
Temperature: 1.000000
Total energy: -2476.377648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.377648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.613803 (E_RNA)
where:
Base-Base interactions energy: -1722.314
where: short stacking energy: -732.979
Base-Backbone interact. energy: -0.261
local terms energy: -769.038457
where:
bonds (distance) C4'-P energy: -150.285
bonds (distance) P-C4' energy: -137.087
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -101.357
tors. eta vs tors. theta energy: -225.948
Dist. restrs. and SS energy: 15.236 (S_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: 49
Temperature: 1.050000
Total energy: -2391.513894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.513894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.773948 (E_RNA)
where:
Base-Base interactions energy: -1693.559
where: short stacking energy: -721.441
Base-Backbone interact. energy: -1.978
local terms energy: -712.237293
where:
bonds (distance) C4'-P energy: -116.915
bonds (distance) P-C4' energy: -133.765
flat angles C4'-P-C4' energy: -143.976
flat angles P-C4'-P energy: -95.779
tors. eta vs tors. theta energy: -221.802
Dist. restrs. and SS energy: 16.260 (S_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: 49
Temperature: 1.100000
Total energy: -2267.751623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.751623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.648408 (E_RNA)
where:
Base-Base interactions energy: -1611.750
where: short stacking energy: -675.844
Base-Backbone interact. energy: -1.056
local terms energy: -677.841862
where:
bonds (distance) C4'-P energy: -120.817
bonds (distance) P-C4' energy: -117.418
flat angles C4'-P-C4' energy: -147.731
flat angles P-C4'-P energy: -93.305
tors. eta vs tors. theta energy: -198.571
Dist. restrs. and SS energy: 22.897 (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: 49
Temperature: 1.150000
Total energy: -2227.533499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.533499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.379757 (E_RNA)
where:
Base-Base interactions energy: -1590.392
where: short stacking energy: -641.334
Base-Backbone interact. energy: -0.850
local terms energy: -661.137748
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -110.825
flat angles C4'-P-C4' energy: -137.317
flat angles P-C4'-P energy: -86.829
tors. eta vs tors. theta energy: -197.428
Dist. restrs. and SS energy: 24.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2200.321296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.321296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.850471 (E_RNA)
where:
Base-Base interactions energy: -1557.952
where: short stacking energy: -624.730
Base-Backbone interact. energy: 1.446
local terms energy: -656.343999
where:
bonds (distance) C4'-P energy: -117.842
bonds (distance) P-C4' energy: -107.455
flat angles C4'-P-C4' energy: -138.920
flat angles P-C4'-P energy: -95.331
tors. eta vs tors. theta energy: -196.796
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2000.390332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.390332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.902102 (E_RNA)
where:
Base-Base interactions energy: -1421.964
where: short stacking energy: -572.597
Base-Backbone interact. energy: 2.554
local terms energy: -606.492492
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -124.751
flat angles C4'-P-C4' energy: -117.042
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -154.980
Dist. restrs. and SS energy: 25.512 (S_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: 49
Temperature: 1.300000
Total energy: -1916.270775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.270775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.421342 (E_RNA)
where:
Base-Base interactions energy: -1363.626
where: short stacking energy: -565.899
Base-Backbone interact. energy: -1.898
local terms energy: -592.897122
where:
bonds (distance) C4'-P energy: -99.773
bonds (distance) P-C4' energy: -91.839
flat angles C4'-P-C4' energy: -145.702
flat angles P-C4'-P energy: -85.537
tors. eta vs tors. theta energy: -170.046
Dist. restrs. and SS energy: 42.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1841.057235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.057235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.225718 (E_RNA)
where:
Base-Base interactions energy: -1312.597
where: short stacking energy: -537.299
Base-Backbone interact. energy: -2.026
local terms energy: -555.603456
where:
bonds (distance) C4'-P energy: -99.605
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -122.424
flat angles P-C4'-P energy: -70.023
tors. eta vs tors. theta energy: -163.519
Dist. restrs. and SS energy: 29.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2631.327044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.327044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.773913 (E_RNA)
where:
Base-Base interactions energy: -1855.618
where: short stacking energy: -770.237
Base-Backbone interact. energy: -1.147
local terms energy: -781.008654
where:
bonds (distance) C4'-P energy: -111.389
bonds (distance) P-C4' energy: -149.128
flat angles C4'-P-C4' energy: -166.315
flat angles P-C4'-P energy: -117.944
tors. eta vs tors. theta energy: -236.232
Dist. restrs. and SS energy: 6.447 (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: 50
Temperature: 0.950000
Total energy: -2587.967280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.967280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.371373 (E_RNA)
where:
Base-Base interactions energy: -1830.438
where: short stacking energy: -739.035
Base-Backbone interact. energy: 0.308
local terms energy: -765.241818
where:
bonds (distance) C4'-P energy: -136.028
bonds (distance) P-C4' energy: -142.630
flat angles C4'-P-C4' energy: -159.109
flat angles P-C4'-P energy: -108.014
tors. eta vs tors. theta energy: -219.462
Dist. restrs. and SS energy: 7.404 (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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2494.652824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.652824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.150738 (E_RNA)
where:
Base-Base interactions energy: -1773.348
where: short stacking energy: -759.627
Base-Backbone interact. energy: 1.004
local terms energy: -740.806589
where:
bonds (distance) C4'-P energy: -122.353
bonds (distance) P-C4' energy: -135.902
flat angles C4'-P-C4' energy: -153.194
flat angles P-C4'-P energy: -99.215
tors. eta vs tors. theta energy: -230.142
Dist. restrs. and SS energy: 18.498 (S_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: 50
Temperature: 1.050000
Total energy: -2371.255346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.255346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.968796 (E_RNA)
where:
Base-Base interactions energy: -1667.806
where: short stacking energy: -701.778
Base-Backbone interact. energy: -4.267
local terms energy: -719.896243
where:
bonds (distance) C4'-P energy: -128.288
bonds (distance) P-C4' energy: -129.098
flat angles C4'-P-C4' energy: -156.952
flat angles P-C4'-P energy: -101.308
tors. eta vs tors. theta energy: -204.250
Dist. restrs. and SS energy: 20.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2276.903104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.903104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.354237 (E_RNA)
where:
Base-Base interactions energy: -1631.242
where: short stacking energy: -666.125
Base-Backbone interact. energy: 4.738
local terms energy: -673.850413
where:
bonds (distance) C4'-P energy: -122.278
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -138.942
flat angles P-C4'-P energy: -97.986
tors. eta vs tors. theta energy: -191.046
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: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2224.710527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.710527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.255731 (E_RNA)
where:
Base-Base interactions energy: -1586.801
where: short stacking energy: -657.758
Base-Backbone interact. energy: 3.788
local terms energy: -661.243072
where:
bonds (distance) C4'-P energy: -97.361
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -141.504
flat angles P-C4'-P energy: -96.089
tors. eta vs tors. theta energy: -204.427
Dist. restrs. and SS energy: 19.545 (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: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2227.469616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.469616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.262918 (E_RNA)
where:
Base-Base interactions energy: -1558.392
where: short stacking energy: -625.759
Base-Backbone interact. energy: -2.385
local terms energy: -676.485436
where:
bonds (distance) C4'-P energy: -120.150
bonds (distance) P-C4' energy: -119.332
flat angles C4'-P-C4' energy: -147.361
flat angles P-C4'-P energy: -84.576
tors. eta vs tors. theta energy: -205.067
Dist. restrs. and SS energy: 9.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -2019.129656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.129656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.902350 (E_RNA)
where:
Base-Base interactions energy: -1437.478
where: short stacking energy: -598.874
Base-Backbone interact. energy: -0.239
local terms energy: -603.185338
where:
bonds (distance) C4'-P energy: -111.598
bonds (distance) P-C4' energy: -100.385
flat angles C4'-P-C4' energy: -129.839
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -179.042
Dist. restrs. and SS energy: 21.773 (S_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: 50
Temperature: 1.300000
Total energy: -1900.225084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.225084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.509528 (E_RNA)
where:
Base-Base interactions energy: -1376.276
where: short stacking energy: -554.719
Base-Backbone interact. energy: -3.775
local terms energy: -552.458402
where:
bonds (distance) C4'-P energy: -101.083
bonds (distance) P-C4' energy: -78.336
flat angles C4'-P-C4' energy: -132.807
flat angles P-C4'-P energy: -76.097
tors. eta vs tors. theta energy: -164.135
Dist. restrs. and SS energy: 32.284 (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: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1828.613742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.613742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.413276 (E_RNA)
where:
Base-Base interactions energy: -1311.815
where: short stacking energy: -517.419
Base-Backbone interact. energy: -0.963
local terms energy: -543.635988
where:
bonds (distance) C4'-P energy: -93.316
bonds (distance) P-C4' energy: -115.013
flat angles C4'-P-C4' energy: -101.673
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -154.666
Dist. restrs. and SS energy: 27.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2637.397433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.397433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.335132 (E_RNA)
where:
Base-Base interactions energy: -1836.727
where: short stacking energy: -763.482
Base-Backbone interact. energy: -4.347
local terms energy: -806.260549
where:
bonds (distance) C4'-P energy: -156.524
bonds (distance) P-C4' energy: -139.016
flat angles C4'-P-C4' energy: -171.944
flat angles P-C4'-P energy: -101.597
tors. eta vs tors. theta energy: -237.180
Dist. restrs. and SS energy: 9.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2562.837585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.837585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.449363 (E_RNA)
where:
Base-Base interactions energy: -1804.578
where: short stacking energy: -743.414
Base-Backbone interact. energy: -3.342
local terms energy: -765.529366
where:
bonds (distance) C4'-P energy: -127.018
bonds (distance) P-C4' energy: -150.893
flat angles C4'-P-C4' energy: -159.187
flat angles P-C4'-P energy: -110.704
tors. eta vs tors. theta energy: -217.727
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: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2487.239945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.239945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.159800 (E_RNA)
where:
Base-Base interactions energy: -1771.694
where: short stacking energy: -737.769
Base-Backbone interact. energy: -3.734
local terms energy: -727.731952
where:
bonds (distance) C4'-P energy: -117.171
bonds (distance) P-C4' energy: -128.379
flat angles C4'-P-C4' energy: -150.735
flat angles P-C4'-P energy: -111.965
tors. eta vs tors. theta energy: -219.482
Dist. restrs. and SS energy: 15.920 (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: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2389.937164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.937164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.429998 (E_RNA)
where:
Base-Base interactions energy: -1687.214
where: short stacking energy: -697.292
Base-Backbone interact. energy: -5.792
local terms energy: -717.423998
where:
bonds (distance) C4'-P energy: -116.597
bonds (distance) P-C4' energy: -132.135
flat angles C4'-P-C4' energy: -153.814
flat angles P-C4'-P energy: -94.157
tors. eta vs tors. theta energy: -220.722
Dist. restrs. and SS energy: 20.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2294.397321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.397321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.333677 (E_RNA)
where:
Base-Base interactions energy: -1610.247
where: short stacking energy: -684.623
Base-Backbone interact. energy: -1.176
local terms energy: -703.910641
where:
bonds (distance) C4'-P energy: -112.051
bonds (distance) P-C4' energy: -126.174
flat angles C4'-P-C4' energy: -145.322
flat angles P-C4'-P energy: -100.762
tors. eta vs tors. theta energy: -219.602
Dist. restrs. and SS energy: 20.936 (S_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: 51
Temperature: 1.150000
Total energy: -2180.271695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.271695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.727310 (E_RNA)
where:
Base-Base interactions energy: -1555.063
where: short stacking energy: -612.910
Base-Backbone interact. energy: -2.636
local terms energy: -648.028688
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -133.098
flat angles C4'-P-C4' energy: -148.278
flat angles P-C4'-P energy: -88.529
tors. eta vs tors. theta energy: -189.670
Dist. restrs. and SS energy: 25.456 (S_DIST_RNA)
chem. 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: -2255.438324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.438324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.535601 (E_RNA)
where:
Base-Base interactions energy: -1616.584
where: short stacking energy: -660.067
Base-Backbone interact. energy: -1.548
local terms energy: -649.404145
where:
bonds (distance) C4'-P energy: -101.237
bonds (distance) P-C4' energy: -118.197
flat angles C4'-P-C4' energy: -136.481
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -206.015
Dist. restrs. and SS energy: 12.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2083.285624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.285624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.464593 (E_RNA)
where:
Base-Base interactions energy: -1458.805
where: short stacking energy: -583.240
Base-Backbone interact. energy: 1.793
local terms energy: -649.452230
where:
bonds (distance) C4'-P energy: -126.226
bonds (distance) P-C4' energy: -133.161
flat angles C4'-P-C4' energy: -124.269
flat angles P-C4'-P energy: -94.200
tors. eta vs tors. theta energy: -171.596
Dist. restrs. and SS energy: 23.179 (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: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1868.814847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.814847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.644060 (E_RNA)
where:
Base-Base interactions energy: -1332.018
where: short stacking energy: -526.500
Base-Backbone interact. energy: -1.054
local terms energy: -561.571952
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -126.095
flat angles C4'-P-C4' energy: -120.871
flat angles P-C4'-P energy: -64.193
tors. eta vs tors. theta energy: -155.960
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: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1812.998159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.998159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.907840 (E_RNA)
where:
Base-Base interactions energy: -1297.333
where: short stacking energy: -551.666
Base-Backbone interact. energy: 0.061
local terms energy: -543.635767
where:
bonds (distance) C4'-P energy: -115.894
bonds (distance) P-C4' energy: -110.996
flat angles C4'-P-C4' energy: -109.063
flat angles P-C4'-P energy: -62.834
tors. eta vs tors. theta energy: -144.849
Dist. restrs. and SS energy: 27.910 (S_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: 52
Temperature: 0.900000
Total energy: -2633.847446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.847446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.002164 (E_RNA)
where:
Base-Base interactions energy: -1846.188
where: short stacking energy: -745.161
Base-Backbone interact. energy: -1.676
local terms energy: -797.138696
where:
bonds (distance) C4'-P energy: -148.257
bonds (distance) P-C4' energy: -143.490
flat angles C4'-P-C4' energy: -161.538
flat angles P-C4'-P energy: -111.494
tors. eta vs tors. theta energy: -232.360
Dist. restrs. and SS energy: 11.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2589.973566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.973566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.428272 (E_RNA)
where:
Base-Base interactions energy: -1829.183
where: short stacking energy: -740.242
Base-Backbone interact. energy: -1.061
local terms energy: -769.184134
where:
bonds (distance) C4'-P energy: -136.398
bonds (distance) P-C4' energy: -143.512
flat angles C4'-P-C4' energy: -161.953
flat angles P-C4'-P energy: -102.458
tors. eta vs tors. theta energy: -224.862
Dist. restrs. and SS energy: 9.455 (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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2445.022441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.022441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.457870 (E_RNA)
where:
Base-Base interactions energy: -1729.055
where: short stacking energy: -698.999
Base-Backbone interact. energy: -2.110
local terms energy: -730.292692
where:
bonds (distance) C4'-P energy: -136.335
bonds (distance) P-C4' energy: -133.855
flat angles C4'-P-C4' energy: -154.801
flat angles P-C4'-P energy: -107.287
tors. eta vs tors. theta energy: -198.015
Dist. restrs. and SS energy: 16.435 (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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2373.777803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.777803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.532911 (E_RNA)
where:
Base-Base interactions energy: -1667.505
where: short stacking energy: -672.090
Base-Backbone interact. energy: -3.414
local terms energy: -716.613908
where:
bonds (distance) C4'-P energy: -137.389
bonds (distance) P-C4' energy: -114.377
flat angles C4'-P-C4' energy: -152.664
flat angles P-C4'-P energy: -105.372
tors. eta vs tors. theta energy: -206.811
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2260.044867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.044867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.123325 (E_RNA)
where:
Base-Base interactions energy: -1584.055
where: short stacking energy: -645.147
Base-Backbone interact. energy: 1.385
local terms energy: -698.453573
where:
bonds (distance) C4'-P energy: -129.208
bonds (distance) P-C4' energy: -127.790
flat angles C4'-P-C4' energy: -133.487
flat angles P-C4'-P energy: -103.981
tors. eta vs tors. theta energy: -203.986
Dist. restrs. and SS energy: 21.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2142.928492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.749278 (E_RNA)
where:
Base-Base interactions energy: -1510.967
where: short stacking energy: -629.756
Base-Backbone interact. energy: -0.581
local terms energy: -656.201655
where:
bonds (distance) C4'-P energy: -107.972
bonds (distance) P-C4' energy: -122.287
flat angles C4'-P-C4' energy: -151.902
flat angles P-C4'-P energy: -87.502
tors. eta vs tors. theta energy: -186.539
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2215.925836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.925836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.277985 (E_RNA)
where:
Base-Base interactions energy: -1564.928
where: short stacking energy: -656.075
Base-Backbone interact. energy: -1.584
local terms energy: -660.766054
where:
bonds (distance) C4'-P energy: -120.398
bonds (distance) P-C4' energy: -116.094
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -96.521
tors. eta vs tors. theta energy: -202.601
Dist. restrs. and SS energy: 11.352 (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: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2070.014898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.014898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.289013 (E_RNA)
where:
Base-Base interactions energy: -1462.209
where: short stacking energy: -615.670
Base-Backbone interact. energy: 6.468
local terms energy: -632.547561
where:
bonds (distance) C4'-P energy: -99.906
bonds (distance) P-C4' energy: -121.022
flat angles C4'-P-C4' energy: -133.233
flat angles P-C4'-P energy: -85.529
tors. eta vs tors. theta energy: -192.858
Dist. restrs. and SS energy: 18.274 (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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1902.542875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.542875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.668119 (E_RNA)
where:
Base-Base interactions energy: -1348.529
where: short stacking energy: -521.260
Base-Backbone interact. energy: -0.295
local terms energy: -580.844412
where:
bonds (distance) C4'-P energy: -115.611
bonds (distance) P-C4' energy: -112.397
flat angles C4'-P-C4' energy: -119.733
flat angles P-C4'-P energy: -75.596
tors. eta vs tors. theta energy: -157.506
Dist. restrs. and SS energy: 27.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1884.708289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.708289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.007089 (E_RNA)
where:
Base-Base interactions energy: -1300.845
where: short stacking energy: -526.517
Base-Backbone interact. energy: -1.497
local terms energy: -621.665276
where:
bonds (distance) C4'-P energy: -134.205
bonds (distance) P-C4' energy: -126.918
flat angles C4'-P-C4' energy: -129.514
flat angles P-C4'-P energy: -68.823
tors. eta vs tors. theta energy: -162.205
Dist. restrs. and SS energy: 39.299 (S_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: 53
Temperature: 0.900000
Total energy: -2641.179078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.179078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.949067 (E_RNA)
where:
Base-Base interactions energy: -1869.001
where: short stacking energy: -755.798
Base-Backbone interact. energy: -1.528
local terms energy: -778.419936
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -130.320
flat angles C4'-P-C4' energy: -168.561
flat angles P-C4'-P energy: -118.794
tors. eta vs tors. theta energy: -230.138
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: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2575.205370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.205370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.356193 (E_RNA)
where:
Base-Base interactions energy: -1831.040
where: short stacking energy: -747.398
Base-Backbone interact. energy: -2.808
local terms energy: -751.508387
where:
bonds (distance) C4'-P energy: -130.043
bonds (distance) P-C4' energy: -134.717
flat angles C4'-P-C4' energy: -151.371
flat angles P-C4'-P energy: -122.106
tors. eta vs tors. theta energy: -213.272
Dist. restrs. and SS energy: 10.151 (S_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: 53
Temperature: 1.000000
Total energy: -2421.744870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.744870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.534940 (E_RNA)
where:
Base-Base interactions energy: -1697.020
where: short stacking energy: -720.129
Base-Backbone interact. energy: 1.519
local terms energy: -739.034369
where:
bonds (distance) C4'-P energy: -139.432
bonds (distance) P-C4' energy: -146.975
flat angles C4'-P-C4' energy: -155.396
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -211.109
Dist. restrs. and SS energy: 12.790 (S_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: 53
Temperature: 1.050000
Total energy: -2393.155057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.155057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.699748 (E_RNA)
where:
Base-Base interactions energy: -1715.698
where: short stacking energy: -689.713
Base-Backbone interact. energy: -3.391
local terms energy: -692.610960
where:
bonds (distance) C4'-P energy: -109.566
bonds (distance) P-C4' energy: -129.214
flat angles C4'-P-C4' energy: -146.159
flat angles P-C4'-P energy: -93.545
tors. eta vs tors. theta energy: -214.126
Dist. restrs. and SS energy: 18.545 (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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2287.833219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.833219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.432992 (E_RNA)
where:
Base-Base interactions energy: -1629.172
where: short stacking energy: -683.858
Base-Backbone interact. energy: 5.083
local terms energy: -681.344435
where:
bonds (distance) C4'-P energy: -114.158
bonds (distance) P-C4' energy: -114.604
flat angles C4'-P-C4' energy: -152.706
flat angles P-C4'-P energy: -93.871
tors. eta vs tors. theta energy: -206.005
Dist. restrs. and SS energy: 17.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2310.803308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.803308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.613258 (E_RNA)
where:
Base-Base interactions energy: -1645.473
where: short stacking energy: -676.743
Base-Backbone interact. energy: 4.010
local terms energy: -679.150128
where:
bonds (distance) C4'-P energy: -103.985
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -152.062
flat angles P-C4'-P energy: -92.160
tors. eta vs tors. theta energy: -208.217
Dist. restrs. and SS energy: 9.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2105.417855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.417855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.017724 (E_RNA)
where:
Base-Base interactions energy: -1464.544
where: short stacking energy: -588.671
Base-Backbone interact. energy: -1.008
local terms energy: -671.465879
where:
bonds (distance) C4'-P energy: -107.888
bonds (distance) P-C4' energy: -132.046
flat angles C4'-P-C4' energy: -149.521
flat angles P-C4'-P energy: -88.422
tors. eta vs tors. theta energy: -193.588
Dist. restrs. and SS energy: 31.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2082.457473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.457473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.802741 (E_RNA)
where:
Base-Base interactions energy: -1474.156
where: short stacking energy: -618.725
Base-Backbone interact. energy: -2.736
local terms energy: -622.911054
where:
bonds (distance) C4'-P energy: -125.249
bonds (distance) P-C4' energy: -104.788
flat angles C4'-P-C4' energy: -131.063
flat angles P-C4'-P energy: -75.655
tors. eta vs tors. theta energy: -186.156
Dist. restrs. and SS energy: 17.345 (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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1927.244108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.244108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.539638 (E_RNA)
where:
Base-Base interactions energy: -1364.148
where: short stacking energy: -526.356
Base-Backbone interact. energy: 4.161
local terms energy: -585.553015
where:
bonds (distance) C4'-P energy: -116.377
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -126.638
flat angles P-C4'-P energy: -79.356
tors. eta vs tors. theta energy: -151.798
Dist. restrs. and SS energy: 18.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1797.526732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.526732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.216332 (E_RNA)
where:
Base-Base interactions energy: -1290.525
where: short stacking energy: -524.141
Base-Backbone interact. energy: 7.684
local terms energy: -543.375395
where:
bonds (distance) C4'-P energy: -101.542
bonds (distance) P-C4' energy: -101.728
flat angles C4'-P-C4' energy: -111.753
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -157.810
Dist. restrs. and SS energy: 28.690 (S_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: 54
Temperature: 0.900000
Total energy: -2617.753068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.753068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.521522 (E_RNA)
where:
Base-Base interactions energy: -1838.938
where: short stacking energy: -772.820
Base-Backbone interact. energy: -2.405
local terms energy: -788.178486
where:
bonds (distance) C4'-P energy: -130.847
bonds (distance) P-C4' energy: -137.648
flat angles C4'-P-C4' energy: -160.850
flat angles P-C4'-P energy: -124.979
tors. eta vs tors. theta energy: -233.854
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: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2569.784481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.784481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.464110 (E_RNA)
where:
Base-Base interactions energy: -1815.026
where: short stacking energy: -727.318
Base-Backbone interact. energy: -0.531
local terms energy: -763.906636
where:
bonds (distance) C4'-P energy: -128.936
bonds (distance) P-C4' energy: -139.517
flat angles C4'-P-C4' energy: -163.211
flat angles P-C4'-P energy: -115.306
tors. eta vs tors. theta energy: -216.938
Dist. restrs. and SS energy: 9.680 (S_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: 54
Temperature: 1.000000
Total energy: -2444.529054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.529054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.246557 (E_RNA)
where:
Base-Base interactions energy: -1701.871
where: short stacking energy: -716.487
Base-Backbone interact. energy: -1.945
local terms energy: -758.429796
where:
bonds (distance) C4'-P energy: -138.313
bonds (distance) P-C4' energy: -130.587
flat angles C4'-P-C4' energy: -166.298
flat angles P-C4'-P energy: -109.266
tors. eta vs tors. theta energy: -213.965
Dist. restrs. and SS energy: 17.718 (S_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: 54
Temperature: 1.050000
Total energy: -2421.371560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.368293 (E_RNA)
where:
Base-Base interactions energy: -1696.499
where: short stacking energy: -695.298
Base-Backbone interact. energy: -0.552
local terms energy: -740.317276
where:
bonds (distance) C4'-P energy: -123.451
bonds (distance) P-C4' energy: -135.760
flat angles C4'-P-C4' energy: -144.092
flat angles P-C4'-P energy: -111.459
tors. eta vs tors. theta energy: -225.555
Dist. restrs. and SS energy: 15.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2332.962707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.962707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.470839 (E_RNA)
where:
Base-Base interactions energy: -1648.826
where: short stacking energy: -684.583
Base-Backbone interact. energy: 5.397
local terms energy: -711.041872
where:
bonds (distance) C4'-P energy: -131.120
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -150.539
flat angles P-C4'-P energy: -96.252
tors. eta vs tors. theta energy: -207.522
Dist. restrs. and SS energy: 21.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2288.728477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.728477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.160002 (E_RNA)
where:
Base-Base interactions energy: -1636.182
where: short stacking energy: -664.683
Base-Backbone interact. energy: -1.360
local terms energy: -660.618315
where:
bonds (distance) C4'-P energy: -111.454
bonds (distance) P-C4' energy: -111.778
flat angles C4'-P-C4' energy: -148.187
flat angles P-C4'-P energy: -83.965
tors. eta vs tors. theta energy: -205.234
Dist. restrs. and SS energy: 9.432 (S_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: 54
Temperature: 1.200000
Total energy: -2120.395565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.707502 (E_RNA)
where:
Base-Base interactions energy: -1495.650
where: short stacking energy: -636.070
Base-Backbone interact. energy: -2.973
local terms energy: -648.084541
where:
bonds (distance) C4'-P energy: -117.289
bonds (distance) P-C4' energy: -110.088
flat angles C4'-P-C4' energy: -146.348
flat angles P-C4'-P energy: -84.941
tors. eta vs tors. theta energy: -189.418
Dist. restrs. and SS energy: 26.312 (S_DIST_RNA)
chem. 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: -2099.243702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.243702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.693056 (E_RNA)
where:
Base-Base interactions energy: -1514.670
where: short stacking energy: -611.083
Base-Backbone interact. energy: -0.387
local terms energy: -598.635381
where:
bonds (distance) C4'-P energy: -112.889
bonds (distance) P-C4' energy: -96.213
flat angles C4'-P-C4' energy: -139.842
flat angles P-C4'-P energy: -78.940
tors. eta vs tors. theta energy: -170.753
Dist. restrs. and SS energy: 14.449 (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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1913.780710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.780710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.067615 (E_RNA)
where:
Base-Base interactions energy: -1386.469
where: short stacking energy: -545.330
Base-Backbone interact. energy: -5.479
local terms energy: -541.120281
where:
bonds (distance) C4'-P energy: -83.362
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -130.189
flat angles P-C4'-P energy: -70.238
tors. eta vs tors. theta energy: -163.548
Dist. restrs. and SS energy: 19.287 (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: 54
Temperature: 1.350000
Total energy: -1807.671070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.671070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.631422 (E_RNA)
where:
Base-Base interactions energy: -1293.510
where: short stacking energy: -527.853
Base-Backbone interact. energy: -2.054
local terms energy: -557.067281
where:
bonds (distance) C4'-P energy: -99.036
bonds (distance) P-C4' energy: -106.205
flat angles C4'-P-C4' energy: -135.857
flat angles P-C4'-P energy: -64.617
tors. eta vs tors. theta energy: -151.354
Dist. restrs. and SS energy: 44.960 (S_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: 55
Temperature: 0.900000
Total energy: -2635.108977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.108977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.351906 (E_RNA)
where:
Base-Base interactions energy: -1861.855
where: short stacking energy: -765.208
Base-Backbone interact. energy: -0.277
local terms energy: -789.219905
where:
bonds (distance) C4'-P energy: -138.568
bonds (distance) P-C4' energy: -135.942
flat angles C4'-P-C4' energy: -155.352
flat angles P-C4'-P energy: -115.668
tors. eta vs tors. theta energy: -243.690
Dist. restrs. and SS energy: 16.243 (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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2576.382134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.382134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.924658 (E_RNA)
where:
Base-Base interactions energy: -1821.257
where: short stacking energy: -744.722
Base-Backbone interact. energy: -2.332
local terms energy: -764.335956
where:
bonds (distance) C4'-P energy: -129.035
bonds (distance) P-C4' energy: -148.153
flat angles C4'-P-C4' energy: -156.044
flat angles P-C4'-P energy: -105.946
tors. eta vs tors. theta energy: -225.157
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: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2436.750482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.750482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.484547 (E_RNA)
where:
Base-Base interactions energy: -1717.330
where: short stacking energy: -698.862
Base-Backbone interact. energy: -0.979
local terms energy: -730.175912
where:
bonds (distance) C4'-P energy: -122.054
bonds (distance) P-C4' energy: -160.541
flat angles C4'-P-C4' energy: -150.964
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -212.537
Dist. restrs. and SS energy: 11.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2428.277646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.277646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.127093 (E_RNA)
where:
Base-Base interactions energy: -1713.942
where: short stacking energy: -715.609
Base-Backbone interact. energy: -0.111
local terms energy: -736.074363
where:
bonds (distance) C4'-P energy: -124.674
bonds (distance) P-C4' energy: -124.034
flat angles C4'-P-C4' energy: -161.716
flat angles P-C4'-P energy: -96.019
tors. eta vs tors. theta energy: -229.631
Dist. restrs. and SS energy: 21.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2346.096756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.096756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.551161 (E_RNA)
where:
Base-Base interactions energy: -1660.667
where: short stacking energy: -701.227
Base-Backbone interact. energy: -2.081
local terms energy: -702.803341
where:
bonds (distance) C4'-P energy: -131.957
bonds (distance) P-C4' energy: -124.126
flat angles C4'-P-C4' energy: -132.323
flat angles P-C4'-P energy: -92.290
tors. eta vs tors. theta energy: -222.106
Dist. restrs. and SS energy: 19.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2301.084392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.084392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.759198 (E_RNA)
where:
Base-Base interactions energy: -1625.470
where: short stacking energy: -670.216
Base-Backbone interact. energy: -1.013
local terms energy: -689.275823
where:
bonds (distance) C4'-P energy: -117.414
bonds (distance) P-C4' energy: -114.708
flat angles C4'-P-C4' energy: -149.128
flat angles P-C4'-P energy: -100.745
tors. eta vs tors. theta energy: -207.281
Dist. restrs. and SS energy: 14.675 (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: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2221.512226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.512226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.356183 (E_RNA)
where:
Base-Base interactions energy: -1568.822
where: short stacking energy: -622.543
Base-Backbone interact. energy: -5.127
local terms energy: -667.407275
where:
bonds (distance) C4'-P energy: -122.954
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -148.153
flat angles P-C4'-P energy: -89.889
tors. eta vs tors. theta energy: -206.343
Dist. restrs. and SS energy: 19.844 (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: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2066.666823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.666823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.522055 (E_RNA)
where:
Base-Base interactions energy: -1463.258
where: short stacking energy: -600.262
Base-Backbone interact. energy: -0.808
local terms energy: -620.456513
where:
bonds (distance) C4'-P energy: -108.255
bonds (distance) P-C4' energy: -118.817
flat angles C4'-P-C4' energy: -133.987
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -178.898
Dist. restrs. and SS energy: 17.855 (S_DIST_RNA)
chem. 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: -1945.873075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.873075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.908606 (E_RNA)
where:
Base-Base interactions energy: -1414.462
where: short stacking energy: -552.540
Base-Backbone interact. energy: 4.015
local terms energy: -556.461177
where:
bonds (distance) C4'-P energy: -93.296
bonds (distance) P-C4' energy: -102.476
flat angles C4'-P-C4' energy: -124.835
flat angles P-C4'-P energy: -75.971
tors. eta vs tors. theta energy: -159.883
Dist. restrs. and SS energy: 21.036 (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: 55
Temperature: 1.350000
Total energy: -1832.767534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.767534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.978080 (E_RNA)
where:
Base-Base interactions energy: -1328.956
where: short stacking energy: -545.182
Base-Backbone interact. energy: 4.897
local terms energy: -534.918699
where:
bonds (distance) C4'-P energy: -82.508
bonds (distance) P-C4' energy: -112.449
flat angles C4'-P-C4' energy: -126.792
flat angles P-C4'-P energy: -59.908
tors. eta vs tors. theta energy: -153.262
Dist. restrs. and SS energy: 26.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2628.229923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.229923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.007899 (E_RNA)
where:
Base-Base interactions energy: -1857.598
where: short stacking energy: -761.407
Base-Backbone interact. energy: 1.215
local terms energy: -786.625416
where:
bonds (distance) C4'-P energy: -139.324
bonds (distance) P-C4' energy: -130.621
flat angles C4'-P-C4' energy: -168.289
flat angles P-C4'-P energy: -114.297
tors. eta vs tors. theta energy: -234.093
Dist. restrs. and SS energy: 14.778 (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: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2594.449112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.449112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.922156 (E_RNA)
where:
Base-Base interactions energy: -1844.812
where: short stacking energy: -746.543
Base-Backbone interact. energy: -0.245
local terms energy: -755.865239
where:
bonds (distance) C4'-P energy: -126.656
bonds (distance) P-C4' energy: -142.747
flat angles C4'-P-C4' energy: -152.727
flat angles P-C4'-P energy: -105.283
tors. eta vs tors. theta energy: -228.452
Dist. restrs. and SS energy: 6.473 (S_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: 56
Temperature: 1.000000
Total energy: -2512.975443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.975443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.792588 (E_RNA)
where:
Base-Base interactions energy: -1753.973
where: short stacking energy: -715.420
Base-Backbone interact. energy: -2.843
local terms energy: -768.976743
where:
bonds (distance) C4'-P energy: -130.022
bonds (distance) P-C4' energy: -143.441
flat angles C4'-P-C4' energy: -162.036
flat angles P-C4'-P energy: -111.251
tors. eta vs tors. theta energy: -222.227
Dist. restrs. and SS energy: 12.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2420.860299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.860299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.792261 (E_RNA)
where:
Base-Base interactions energy: -1729.096
where: short stacking energy: -698.663
Base-Backbone interact. energy: 4.725
local terms energy: -711.420888
where:
bonds (distance) C4'-P energy: -125.728
bonds (distance) P-C4' energy: -134.481
flat angles C4'-P-C4' energy: -150.914
flat angles P-C4'-P energy: -87.181
tors. eta vs tors. theta energy: -213.117
Dist. restrs. and SS energy: 14.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2366.375186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.375186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.049694 (E_RNA)
where:
Base-Base interactions energy: -1652.594
where: short stacking energy: -704.575
Base-Backbone interact. energy: -4.755
local terms energy: -721.700405
where:
bonds (distance) C4'-P energy: -118.082
bonds (distance) P-C4' energy: -134.025
flat angles C4'-P-C4' energy: -158.781
flat angles P-C4'-P energy: -93.281
tors. eta vs tors. theta energy: -217.532
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: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2223.729228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.729228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.317063 (E_RNA)
where:
Base-Base interactions energy: -1592.098
where: short stacking energy: -655.183
Base-Backbone interact. energy: -0.248
local terms energy: -650.970400
where:
bonds (distance) C4'-P energy: -101.990
bonds (distance) P-C4' energy: -124.811
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -94.326
tors. eta vs tors. theta energy: -212.399
Dist. restrs. and SS energy: 19.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2182.477334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.477334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.784791 (E_RNA)
where:
Base-Base interactions energy: -1518.420
where: short stacking energy: -611.413
Base-Backbone interact. energy: -1.895
local terms energy: -676.468853
where:
bonds (distance) C4'-P energy: -127.196
bonds (distance) P-C4' energy: -117.772
flat angles C4'-P-C4' energy: -143.305
flat angles P-C4'-P energy: -83.087
tors. eta vs tors. theta energy: -205.110
Dist. restrs. and SS energy: 14.307 (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: 56
Temperature: 1.250000
Total energy: -2139.824359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.793745 (E_RNA)
where:
Base-Base interactions energy: -1532.275
where: short stacking energy: -620.234
Base-Backbone interact. energy: -1.356
local terms energy: -622.162757
where:
bonds (distance) C4'-P energy: -91.518
bonds (distance) P-C4' energy: -110.310
flat angles C4'-P-C4' energy: -146.681
flat angles P-C4'-P energy: -82.015
tors. eta vs tors. theta energy: -191.639
Dist. restrs. and SS energy: 15.969 (S_DIST_RNA)
chem. 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: -1955.758948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.758948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.202018 (E_RNA)
where:
Base-Base interactions energy: -1421.250
where: short stacking energy: -554.386
Base-Backbone interact. energy: -2.717
local terms energy: -553.234649
where:
bonds (distance) C4'-P energy: -103.534
bonds (distance) P-C4' energy: -88.613
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -77.318
tors. eta vs tors. theta energy: -156.638
Dist. restrs. and SS energy: 21.443 (S_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: -1878.746357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.746357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.325250 (E_RNA)
where:
Base-Base interactions energy: -1341.454
where: short stacking energy: -533.169
Base-Backbone interact. energy: -0.646
local terms energy: -562.225507
where:
bonds (distance) C4'-P energy: -109.581
bonds (distance) P-C4' energy: -131.721
flat angles C4'-P-C4' energy: -95.749
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -146.852
Dist. restrs. and SS energy: 25.579 (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: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2633.472445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.472445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.439741 (E_RNA)
where:
Base-Base interactions energy: -1860.570
where: short stacking energy: -765.141
Base-Backbone interact. energy: -1.390
local terms energy: -783.479770
where:
bonds (distance) C4'-P energy: -128.159
bonds (distance) P-C4' energy: -155.467
flat angles C4'-P-C4' energy: -153.900
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -231.468
Dist. restrs. and SS energy: 11.967 (S_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: 57
Temperature: 0.950000
Total energy: -2558.123368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.123368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.289230 (E_RNA)
where:
Base-Base interactions energy: -1817.943
where: short stacking energy: -740.316
Base-Backbone interact. energy: -5.646
local terms energy: -745.700521
where:
bonds (distance) C4'-P energy: -129.027
bonds (distance) P-C4' energy: -125.333
flat angles C4'-P-C4' energy: -160.700
flat angles P-C4'-P energy: -109.627
tors. eta vs tors. theta energy: -221.013
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2494.951692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.951692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.889280 (E_RNA)
where:
Base-Base interactions energy: -1755.500
where: short stacking energy: -692.477
Base-Backbone interact. energy: -4.907
local terms energy: -749.482708
where:
bonds (distance) C4'-P energy: -135.873
bonds (distance) P-C4' energy: -148.111
flat angles C4'-P-C4' energy: -151.346
flat angles P-C4'-P energy: -96.811
tors. eta vs tors. theta energy: -217.342
Dist. restrs. and SS energy: 14.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2410.302988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.302988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.638497 (E_RNA)
where:
Base-Base interactions energy: -1695.392
where: short stacking energy: -688.345
Base-Backbone interact. energy: -1.237
local terms energy: -729.010407
where:
bonds (distance) C4'-P energy: -133.761
bonds (distance) P-C4' energy: -141.364
flat angles C4'-P-C4' energy: -143.154
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -211.772
Dist. restrs. and SS energy: 15.336 (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: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2365.725177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.725177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.853684 (E_RNA)
where:
Base-Base interactions energy: -1653.787
where: short stacking energy: -693.029
Base-Backbone interact. energy: -2.534
local terms energy: -719.532146
where:
bonds (distance) C4'-P energy: -115.601
bonds (distance) P-C4' energy: -139.887
flat angles C4'-P-C4' energy: -144.335
flat angles P-C4'-P energy: -103.857
tors. eta vs tors. theta energy: -215.852
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: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2230.874527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.789130 (E_RNA)
where:
Base-Base interactions energy: -1575.812
where: short stacking energy: -664.437
Base-Backbone interact. energy: 6.814
local terms energy: -677.791334
where:
bonds (distance) C4'-P energy: -123.371
bonds (distance) P-C4' energy: -106.904
flat angles C4'-P-C4' energy: -131.622
flat angles P-C4'-P energy: -108.731
tors. eta vs tors. theta energy: -207.164
Dist. restrs. and SS energy: 15.915 (S_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: 57
Temperature: 1.200000
Total energy: -2177.505885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.505885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.443375 (E_RNA)
where:
Base-Base interactions energy: -1562.288
where: short stacking energy: -618.054
Base-Backbone interact. energy: 6.404
local terms energy: -638.559053
where:
bonds (distance) C4'-P energy: -104.673
bonds (distance) P-C4' energy: -113.348
flat angles C4'-P-C4' energy: -132.074
flat angles P-C4'-P energy: -99.341
tors. eta vs tors. theta energy: -189.123
Dist. restrs. and SS energy: 16.937 (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: 57
Temperature: 1.250000
Total energy: -2183.884653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.884653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.857613 (E_RNA)
where:
Base-Base interactions energy: -1562.346
where: short stacking energy: -614.588
Base-Backbone interact. energy: -2.952
local terms energy: -636.559406
where:
bonds (distance) C4'-P energy: -104.470
bonds (distance) P-C4' energy: -119.384
flat angles C4'-P-C4' energy: -143.955
flat angles P-C4'-P energy: -90.861
tors. eta vs tors. theta energy: -177.891
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: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1970.916303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.916303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.614190 (E_RNA)
where:
Base-Base interactions energy: -1408.177
where: short stacking energy: -563.007
Base-Backbone interact. energy: -1.330
local terms energy: -585.107098
where:
bonds (distance) C4'-P energy: -104.799
bonds (distance) P-C4' energy: -119.578
flat angles C4'-P-C4' energy: -130.893
flat angles P-C4'-P energy: -74.147
tors. eta vs tors. theta energy: -155.690
Dist. restrs. and SS energy: 23.698 (S_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: -1908.914475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.914475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.570448 (E_RNA)
where:
Base-Base interactions energy: -1400.036
where: short stacking energy: -569.309
Base-Backbone interact. energy: 2.583
local terms energy: -558.117757
where:
bonds (distance) C4'-P energy: -109.297
bonds (distance) P-C4' energy: -107.630
flat angles C4'-P-C4' energy: -116.075
flat angles P-C4'-P energy: -73.178
tors. eta vs tors. theta energy: -151.937
Dist. restrs. and SS energy: 46.656 (S_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: 58
Temperature: 0.900000
Total energy: -2635.276546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.276546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.792795 (E_RNA)
where:
Base-Base interactions energy: -1856.192
where: short stacking energy: -752.402
Base-Backbone interact. energy: -2.002
local terms energy: -791.598477
where:
bonds (distance) C4'-P energy: -123.457
bonds (distance) P-C4' energy: -145.411
flat angles C4'-P-C4' energy: -168.141
flat angles P-C4'-P energy: -126.617
tors. eta vs tors. theta energy: -227.972
Dist. restrs. and SS energy: 14.516 (S_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: 58
Temperature: 0.950000
Total energy: -2578.817452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.817452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.929464 (E_RNA)
where:
Base-Base interactions energy: -1820.493
where: short stacking energy: -764.543
Base-Backbone interact. energy: -1.216
local terms energy: -773.220614
where:
bonds (distance) C4'-P energy: -130.846
bonds (distance) P-C4' energy: -146.974
flat angles C4'-P-C4' energy: -155.683
flat angles P-C4'-P energy: -109.174
tors. eta vs tors. theta energy: -230.543
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: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2504.642166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.642166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.712533 (E_RNA)
where:
Base-Base interactions energy: -1786.734
where: short stacking energy: -734.951
Base-Backbone interact. energy: 0.128
local terms energy: -730.105868
where:
bonds (distance) C4'-P energy: -121.654
bonds (distance) P-C4' energy: -126.933
flat angles C4'-P-C4' energy: -156.332
flat angles P-C4'-P energy: -102.281
tors. eta vs tors. theta energy: -222.907
Dist. restrs. and SS energy: 12.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2476.160584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.160584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.183524 (E_RNA)
where:
Base-Base interactions energy: -1744.846
where: short stacking energy: -712.273
Base-Backbone interact. energy: 0.704
local terms energy: -747.041438
where:
bonds (distance) C4'-P energy: -135.194
bonds (distance) P-C4' energy: -137.262
flat angles C4'-P-C4' energy: -149.929
flat angles P-C4'-P energy: -109.599
tors. eta vs tors. theta energy: -215.058
Dist. restrs. and SS energy: 15.023 (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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2395.416930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.416930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.586811 (E_RNA)
where:
Base-Base interactions energy: -1689.728
where: short stacking energy: -689.451
Base-Backbone interact. energy: -3.644
local terms energy: -712.215556
where:
bonds (distance) C4'-P energy: -120.140
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -151.129
flat angles P-C4'-P energy: -106.551
tors. eta vs tors. theta energy: -216.684
Dist. restrs. and SS energy: 10.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2208.617152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.617152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.077293 (E_RNA)
where:
Base-Base interactions energy: -1541.553
where: short stacking energy: -619.535
Base-Backbone interact. energy: -1.055
local terms energy: -677.469040
where:
bonds (distance) C4'-P energy: -132.500
bonds (distance) P-C4' energy: -126.562
flat angles C4'-P-C4' energy: -142.681
flat angles P-C4'-P energy: -78.066
tors. eta vs tors. theta energy: -197.660
Dist. restrs. and SS energy: 11.460 (S_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: 58
Temperature: 1.200000
Total energy: -2192.188398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.188398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.415108 (E_RNA)
where:
Base-Base interactions energy: -1563.972
where: short stacking energy: -638.490
Base-Backbone interact. energy: 0.324
local terms energy: -643.767366
where:
bonds (distance) C4'-P energy: -117.618
bonds (distance) P-C4' energy: -120.082
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -196.081
Dist. restrs. and SS energy: 15.227 (S_DIST_RNA)
chem. 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: -2158.012560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.012560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.309420 (E_RNA)
where:
Base-Base interactions energy: -1538.474
where: short stacking energy: -623.130
Base-Backbone interact. energy: -2.115
local terms energy: -631.720280
where:
bonds (distance) C4'-P energy: -124.810
bonds (distance) P-C4' energy: -107.096
flat angles C4'-P-C4' energy: -135.096
flat angles P-C4'-P energy: -77.397
tors. eta vs tors. theta energy: -187.322
Dist. restrs. and SS energy: 14.297 (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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1981.551424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.551424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.473925 (E_RNA)
where:
Base-Base interactions energy: -1388.513
where: short stacking energy: -584.859
Base-Backbone interact. energy: -1.652
local terms energy: -626.309326
where:
bonds (distance) C4'-P energy: -115.587
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -126.781
flat angles P-C4'-P energy: -99.566
tors. eta vs tors. theta energy: -166.079
Dist. restrs. and SS energy: 34.923 (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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1844.468063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.468063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.292156 (E_RNA)
where:
Base-Base interactions energy: -1335.013
where: short stacking energy: -539.161
Base-Backbone interact. energy: -1.186
local terms energy: -536.092748
where:
bonds (distance) C4'-P energy: -106.463
bonds (distance) P-C4' energy: -77.153
flat angles C4'-P-C4' energy: -111.945
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -158.857
Dist. restrs. and SS energy: 27.824 (S_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: 59
Temperature: 0.900000
Total energy: -2650.422966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.989298 (E_RNA)
where:
Base-Base interactions energy: -1865.785
where: short stacking energy: -792.319
Base-Backbone interact. energy: 0.005
local terms energy: -801.209570
where:
bonds (distance) C4'-P energy: -142.514
bonds (distance) P-C4' energy: -127.082
flat angles C4'-P-C4' energy: -170.835
flat angles P-C4'-P energy: -113.320
tors. eta vs tors. theta energy: -247.458
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: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2595.014249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.014249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.884591 (E_RNA)
where:
Base-Base interactions energy: -1823.737
where: short stacking energy: -759.686
Base-Backbone interact. energy: -3.541
local terms energy: -776.606632
where:
bonds (distance) C4'-P energy: -142.468
bonds (distance) P-C4' energy: -144.888
flat angles C4'-P-C4' energy: -155.288
flat angles P-C4'-P energy: -109.755
tors. eta vs tors. theta energy: -224.207
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: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2480.655618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.655618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.834989 (E_RNA)
where:
Base-Base interactions energy: -1761.141
where: short stacking energy: -720.619
Base-Backbone interact. energy: -2.155
local terms energy: -725.538777
where:
bonds (distance) C4'-P energy: -141.511
bonds (distance) P-C4' energy: -121.473
flat angles C4'-P-C4' energy: -144.759
flat angles P-C4'-P energy: -95.549
tors. eta vs tors. theta energy: -222.246
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: 59
Temperature: 1.050000
Total energy: -2450.243155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.243155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.836928 (E_RNA)
where:
Base-Base interactions energy: -1713.420
where: short stacking energy: -710.178
Base-Backbone interact. energy: -2.409
local terms energy: -755.008225
where:
bonds (distance) C4'-P energy: -128.199
bonds (distance) P-C4' energy: -148.148
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -101.267
tors. eta vs tors. theta energy: -227.671
Dist. restrs. and SS energy: 20.594 (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: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2396.424158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.424158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.779998 (E_RNA)
where:
Base-Base interactions energy: -1688.462
where: short stacking energy: -703.623
Base-Backbone interact. energy: -1.314
local terms energy: -715.003905
where:
bonds (distance) C4'-P energy: -114.275
bonds (distance) P-C4' energy: -144.459
flat angles C4'-P-C4' energy: -143.444
flat angles P-C4'-P energy: -96.349
tors. eta vs tors. theta energy: -216.477
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: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2223.277444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.277444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.053939 (E_RNA)
where:
Base-Base interactions energy: -1564.110
where: short stacking energy: -638.575
Base-Backbone interact. energy: 0.316
local terms energy: -675.260292
where:
bonds (distance) C4'-P energy: -121.953
bonds (distance) P-C4' energy: -116.298
flat angles C4'-P-C4' energy: -141.107
flat angles P-C4'-P energy: -100.600
tors. eta vs tors. theta energy: -195.303
Dist. restrs. and SS energy: 15.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2176.280485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.280485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.452186 (E_RNA)
where:
Base-Base interactions energy: -1574.004
where: short stacking energy: -640.472
Base-Backbone interact. energy: -0.747
local terms energy: -612.700587
where:
bonds (distance) C4'-P energy: -102.109
bonds (distance) P-C4' energy: -100.143
flat angles C4'-P-C4' energy: -128.546
flat angles P-C4'-P energy: -81.207
tors. eta vs tors. theta energy: -200.696
Dist. restrs. and SS energy: 11.172 (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: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2153.009264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.009264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.601471 (E_RNA)
where:
Base-Base interactions energy: -1532.010
where: short stacking energy: -626.407
Base-Backbone interact. energy: 3.671
local terms energy: -642.262462
where:
bonds (distance) C4'-P energy: -95.775
bonds (distance) P-C4' energy: -115.101
flat angles C4'-P-C4' energy: -145.714
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -196.554
Dist. restrs. and SS energy: 17.592 (S_DIST_RNA)
chem. 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: -1987.035099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.035099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.517819 (E_RNA)
where:
Base-Base interactions energy: -1388.143
where: short stacking energy: -568.349
Base-Backbone interact. energy: -0.805
local terms energy: -625.570018
where:
bonds (distance) C4'-P energy: -111.832
bonds (distance) P-C4' energy: -114.278
flat angles C4'-P-C4' energy: -144.213
flat angles P-C4'-P energy: -74.570
tors. eta vs tors. theta energy: -180.677
Dist. restrs. and SS energy: 27.483 (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: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1851.735173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.735173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.824695 (E_RNA)
where:
Base-Base interactions energy: -1298.729
where: short stacking energy: -498.013
Base-Backbone interact. energy: 1.687
local terms energy: -587.782925
where:
bonds (distance) C4'-P energy: -116.445
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -132.684
flat angles P-C4'-P energy: -72.467
tors. eta vs tors. theta energy: -151.308
Dist. restrs. and SS energy: 33.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2656.408999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.408999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.048409 (E_RNA)
where:
Base-Base interactions energy: -1868.223
where: short stacking energy: -785.919
Base-Backbone interact. energy: -0.672
local terms energy: -804.153386
where:
bonds (distance) C4'-P energy: -142.601
bonds (distance) P-C4' energy: -131.747
flat angles C4'-P-C4' energy: -175.844
flat angles P-C4'-P energy: -109.689
tors. eta vs tors. theta energy: -244.272
Dist. restrs. and SS energy: 16.639 (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: 60
Temperature: 0.950000
Total energy: -2568.454572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.454572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.015588 (E_RNA)
where:
Base-Base interactions energy: -1814.219
where: short stacking energy: -749.894
Base-Backbone interact. energy: -1.833
local terms energy: -767.963834
where:
bonds (distance) C4'-P energy: -120.104
bonds (distance) P-C4' energy: -147.815
flat angles C4'-P-C4' energy: -162.303
flat angles P-C4'-P energy: -119.467
tors. eta vs tors. theta energy: -218.275
Dist. restrs. and SS energy: 15.561 (S_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: 60
Temperature: 1.000000
Total energy: -2527.952800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.952800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.546022 (E_RNA)
where:
Base-Base interactions energy: -1777.135
where: short stacking energy: -732.808
Base-Backbone interact. energy: -2.135
local terms energy: -762.276014
where:
bonds (distance) C4'-P energy: -147.535
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -146.620
flat angles P-C4'-P energy: -109.768
tors. eta vs tors. theta energy: -226.289
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: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2450.085463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.085463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.747995 (E_RNA)
where:
Base-Base interactions energy: -1732.118
where: short stacking energy: -713.297
Base-Backbone interact. energy: 0.098
local terms energy: -731.728436
where:
bonds (distance) C4'-P energy: -124.642
bonds (distance) P-C4' energy: -131.181
flat angles C4'-P-C4' energy: -150.365
flat angles P-C4'-P energy: -99.480
tors. eta vs tors. theta energy: -226.060
Dist. restrs. and SS energy: 13.663 (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: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2387.156592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.156592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.984928 (E_RNA)
where:
Base-Base interactions energy: -1657.543
where: short stacking energy: -686.281
Base-Backbone interact. energy: 0.609
local terms energy: -746.050920
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -136.075
flat angles C4'-P-C4' energy: -153.772
flat angles P-C4'-P energy: -106.982
tors. eta vs tors. theta energy: -215.568
Dist. restrs. and SS energy: 15.828 (S_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: 60
Temperature: 1.150000
Total energy: -2244.298066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.298066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.095859 (E_RNA)
where:
Base-Base interactions energy: -1599.606
where: short stacking energy: -666.512
Base-Backbone interact. energy: -1.533
local terms energy: -659.956075
where:
bonds (distance) C4'-P energy: -116.318
bonds (distance) P-C4' energy: -109.718
flat angles C4'-P-C4' energy: -151.076
flat angles P-C4'-P energy: -81.185
tors. eta vs tors. theta energy: -201.659
Dist. restrs. and SS energy: 16.798 (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: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2219.103184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.103184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.467360 (E_RNA)
where:
Base-Base interactions energy: -1579.998
where: short stacking energy: -632.237
Base-Backbone interact. energy: 2.377
local terms energy: -657.846620
where:
bonds (distance) C4'-P energy: -121.566
bonds (distance) P-C4' energy: -119.946
flat angles C4'-P-C4' energy: -128.096
flat angles P-C4'-P energy: -91.177
tors. eta vs tors. theta energy: -197.061
Dist. restrs. and SS energy: 16.364 (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: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2071.182806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.099276 (E_RNA)
where:
Base-Base interactions energy: -1448.781
where: short stacking energy: -602.419
Base-Backbone interact. energy: 0.003
local terms energy: -646.320834
where:
bonds (distance) C4'-P energy: -108.776
bonds (distance) P-C4' energy: -137.493
flat angles C4'-P-C4' energy: -139.197
flat angles P-C4'-P energy: -84.773
tors. eta vs tors. theta energy: -176.082
Dist. restrs. and SS energy: 23.916 (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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1999.646725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.646725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.705733 (E_RNA)
where:
Base-Base interactions energy: -1430.517
where: short stacking energy: -575.755
Base-Backbone interact. energy: -2.798
local terms energy: -582.390095
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -112.232
flat angles C4'-P-C4' energy: -135.275
flat angles P-C4'-P energy: -91.393
tors. eta vs tors. theta energy: -159.680
Dist. restrs. and SS energy: 16.059 (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: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1825.190525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.190525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.519599 (E_RNA)
where:
Base-Base interactions energy: -1305.344
where: short stacking energy: -524.497
Base-Backbone interact. energy: -1.095
local terms energy: -552.080236
where:
bonds (distance) C4'-P energy: -106.798
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -119.336
flat angles P-C4'-P energy: -69.089
tors. eta vs tors. theta energy: -152.056
Dist. restrs. and SS energy: 33.329 (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: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2650.649010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.649010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.084372 (E_RNA)
where:
Base-Base interactions energy: -1894.128
where: short stacking energy: -785.732
Base-Backbone interact. energy: -1.012
local terms energy: -768.944401
where:
bonds (distance) C4'-P energy: -138.432
bonds (distance) P-C4' energy: -131.019
flat angles C4'-P-C4' energy: -158.748
flat angles P-C4'-P energy: -108.074
tors. eta vs tors. theta energy: -232.671
Dist. restrs. and SS energy: 13.435 (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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2553.470494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.470494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.994486 (E_RNA)
where:
Base-Base interactions energy: -1829.515
where: short stacking energy: -732.908
Base-Backbone interact. energy: 3.716
local terms energy: -738.196083
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -142.373
flat angles C4'-P-C4' energy: -154.665
flat angles P-C4'-P energy: -98.499
tors. eta vs tors. theta energy: -214.760
Dist. restrs. and SS energy: 10.524 (S_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: 61
Temperature: 1.000000
Total energy: -2521.172404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.172404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.331341 (E_RNA)
where:
Base-Base interactions energy: -1792.862
where: short stacking energy: -721.003
Base-Backbone interact. energy: -2.884
local terms energy: -739.585172
where:
bonds (distance) C4'-P energy: -126.803
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -113.472
tors. eta vs tors. theta energy: -216.840
Dist. restrs. and SS energy: 14.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2467.453393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.453393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.053156 (E_RNA)
where:
Base-Base interactions energy: -1732.358
where: short stacking energy: -703.680
Base-Backbone interact. energy: -0.656
local terms energy: -747.039275
where:
bonds (distance) C4'-P energy: -141.078
bonds (distance) P-C4' energy: -136.684
flat angles C4'-P-C4' energy: -147.035
flat angles P-C4'-P energy: -103.663
tors. eta vs tors. theta energy: -218.580
Dist. restrs. and SS energy: 12.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2366.033569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.033569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.645605 (E_RNA)
where:
Base-Base interactions energy: -1636.670
where: short stacking energy: -671.452
Base-Backbone interact. energy: -2.633
local terms energy: -740.342854
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -123.108
flat angles C4'-P-C4' energy: -155.827
flat angles P-C4'-P energy: -103.615
tors. eta vs tors. theta energy: -217.494
Dist. restrs. and SS energy: 13.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2311.096234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.096234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.623482 (E_RNA)
where:
Base-Base interactions energy: -1640.500
where: short stacking energy: -684.677
Base-Backbone interact. energy: -0.470
local terms energy: -688.653496
where:
bonds (distance) C4'-P energy: -126.287
bonds (distance) P-C4' energy: -124.368
flat angles C4'-P-C4' energy: -136.530
flat angles P-C4'-P energy: -93.944
tors. eta vs tors. theta energy: -207.525
Dist. restrs. and SS energy: 18.527 (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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2183.775107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.775107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.916219 (E_RNA)
where:
Base-Base interactions energy: -1547.898
where: short stacking energy: -636.134
Base-Backbone interact. energy: -0.385
local terms energy: -653.633154
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -118.760
flat angles C4'-P-C4' energy: -131.693
flat angles P-C4'-P energy: -90.475
tors. eta vs tors. theta energy: -192.034
Dist. restrs. and SS energy: 18.141 (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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2124.618228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.618228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.352904 (E_RNA)
where:
Base-Base interactions energy: -1498.328
where: short stacking energy: -603.049
Base-Backbone interact. energy: -1.262
local terms energy: -640.762392
where:
bonds (distance) C4'-P energy: -124.223
bonds (distance) P-C4' energy: -119.713
flat angles C4'-P-C4' energy: -124.520
flat angles P-C4'-P energy: -93.688
tors. eta vs tors. theta energy: -178.618
Dist. restrs. and SS energy: 15.735 (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: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -2062.124112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.124112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.779352 (E_RNA)
where:
Base-Base interactions energy: -1479.965
where: short stacking energy: -603.100
Base-Backbone interact. energy: 2.476
local terms energy: -609.290076
where:
bonds (distance) C4'-P energy: -123.978
bonds (distance) P-C4' energy: -94.816
flat angles C4'-P-C4' energy: -118.984
flat angles P-C4'-P energy: -81.237
tors. eta vs tors. theta energy: -190.276
Dist. restrs. and SS energy: 24.655 (S_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: -1858.815145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.401301 (E_RNA)
where:
Base-Base interactions energy: -1313.264
where: short stacking energy: -536.748
Base-Backbone interact. energy: 1.177
local terms energy: -574.314330
where:
bonds (distance) C4'-P energy: -93.955
bonds (distance) P-C4' energy: -108.918
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -164.438
Dist. restrs. and SS energy: 27.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2661.250300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.250300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.913849 (E_RNA)
where:
Base-Base interactions energy: -1849.526
where: short stacking energy: -753.982
Base-Backbone interact. energy: -2.867
local terms energy: -822.521422
where:
bonds (distance) C4'-P energy: -141.103
bonds (distance) P-C4' energy: -164.351
flat angles C4'-P-C4' energy: -154.485
flat angles P-C4'-P energy: -119.984
tors. eta vs tors. theta energy: -242.599
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: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2588.735757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.735757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.356734 (E_RNA)
where:
Base-Base interactions energy: -1802.673
where: short stacking energy: -751.571
Base-Backbone interact. energy: -0.003
local terms energy: -793.680929
where:
bonds (distance) C4'-P energy: -152.778
bonds (distance) P-C4' energy: -140.129
flat angles C4'-P-C4' energy: -167.033
flat angles P-C4'-P energy: -112.746
tors. eta vs tors. theta energy: -220.995
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2511.004148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.004148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.542204 (E_RNA)
where:
Base-Base interactions energy: -1807.069
where: short stacking energy: -715.385
Base-Backbone interact. energy: -1.782
local terms energy: -714.691529
where:
bonds (distance) C4'-P energy: -121.492
bonds (distance) P-C4' energy: -134.721
flat angles C4'-P-C4' energy: -138.574
flat angles P-C4'-P energy: -103.089
tors. eta vs tors. theta energy: -216.816
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: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2483.586948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.586948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.045333 (E_RNA)
where:
Base-Base interactions energy: -1750.007
where: short stacking energy: -711.862
Base-Backbone interact. energy: 1.054
local terms energy: -748.092242
where:
bonds (distance) C4'-P energy: -122.827
bonds (distance) P-C4' energy: -142.460
flat angles C4'-P-C4' energy: -151.547
flat angles P-C4'-P energy: -109.089
tors. eta vs tors. theta energy: -222.170
Dist. restrs. and SS energy: 13.458 (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: 62
Temperature: 1.100000
Total energy: -2396.815846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.815846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.156969 (E_RNA)
where:
Base-Base interactions energy: -1707.998
where: short stacking energy: -712.531
Base-Backbone interact. energy: -2.995
local terms energy: -699.163574
where:
bonds (distance) C4'-P energy: -121.967
bonds (distance) P-C4' energy: -123.247
flat angles C4'-P-C4' energy: -151.388
flat angles P-C4'-P energy: -91.222
tors. eta vs tors. theta energy: -211.340
Dist. restrs. and SS energy: 13.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2323.891643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.891643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.247655 (E_RNA)
where:
Base-Base interactions energy: -1642.297
where: short stacking energy: -679.659
Base-Backbone interact. energy: -0.252
local terms energy: -693.698171
where:
bonds (distance) C4'-P energy: -116.126
bonds (distance) P-C4' energy: -116.214
flat angles C4'-P-C4' energy: -153.274
flat angles P-C4'-P energy: -90.743
tors. eta vs tors. theta energy: -217.341
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2205.061400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.061400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.316029 (E_RNA)
where:
Base-Base interactions energy: -1565.836
where: short stacking energy: -645.291
Base-Backbone interact. energy: 0.213
local terms energy: -661.693450
where:
bonds (distance) C4'-P energy: -115.988
bonds (distance) P-C4' energy: -120.876
flat angles C4'-P-C4' energy: -153.437
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -194.426
Dist. restrs. and SS energy: 22.255 (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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2100.923910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.923910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.738998 (E_RNA)
where:
Base-Base interactions energy: -1490.751
where: short stacking energy: -609.851
Base-Backbone interact. energy: -0.887
local terms energy: -625.100897
where:
bonds (distance) C4'-P energy: -107.915
bonds (distance) P-C4' energy: -116.929
flat angles C4'-P-C4' energy: -144.749
flat angles P-C4'-P energy: -71.242
tors. eta vs tors. theta energy: -184.265
Dist. restrs. and SS energy: 15.815 (S_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: 62
Temperature: 1.300000
Total energy: -2111.018761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.018761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.662920 (E_RNA)
where:
Base-Base interactions energy: -1474.750
where: short stacking energy: -605.102
Base-Backbone interact. energy: 2.167
local terms energy: -655.079591
where:
bonds (distance) C4'-P energy: -120.214
bonds (distance) P-C4' energy: -107.501
flat angles C4'-P-C4' energy: -143.415
flat angles P-C4'-P energy: -81.763
tors. eta vs tors. theta energy: -202.186
Dist. restrs. and SS energy: 16.644 (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: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1914.069076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.069076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.367054 (E_RNA)
where:
Base-Base interactions energy: -1354.793
where: short stacking energy: -532.109
Base-Backbone interact. energy: 0.565
local terms energy: -586.138950
where:
bonds (distance) C4'-P energy: -122.568
bonds (distance) P-C4' energy: -114.171
flat angles C4'-P-C4' energy: -128.179
flat angles P-C4'-P energy: -59.600
tors. eta vs tors. theta energy: -161.620
Dist. restrs. and SS energy: 26.298 (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: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2666.185935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.185935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.536542 (E_RNA)
where:
Base-Base interactions energy: -1869.362
where: short stacking energy: -766.372
Base-Backbone interact. energy: -3.403
local terms energy: -810.771146
where:
bonds (distance) C4'-P energy: -152.107
bonds (distance) P-C4' energy: -129.363
flat angles C4'-P-C4' energy: -168.363
flat angles P-C4'-P energy: -113.138
tors. eta vs tors. theta energy: -247.800
Dist. restrs. and SS energy: 17.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2584.852239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.852239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.938937 (E_RNA)
where:
Base-Base interactions energy: -1834.735
where: short stacking energy: -743.893
Base-Backbone interact. energy: -1.231
local terms energy: -758.972970
where:
bonds (distance) C4'-P energy: -137.080
bonds (distance) P-C4' energy: -148.348
flat angles C4'-P-C4' energy: -159.106
flat angles P-C4'-P energy: -91.738
tors. eta vs tors. theta energy: -222.700
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: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2537.314213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.314213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.368915 (E_RNA)
where:
Base-Base interactions energy: -1799.451
where: short stacking energy: -736.442
Base-Backbone interact. energy: -1.371
local terms energy: -746.546388
where:
bonds (distance) C4'-P energy: -140.151
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -157.386
flat angles P-C4'-P energy: -101.294
tors. eta vs tors. theta energy: -219.278
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2455.669824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.669824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.313055 (E_RNA)
where:
Base-Base interactions energy: -1767.453
where: short stacking energy: -717.881
Base-Backbone interact. energy: -2.801
local terms energy: -698.058606
where:
bonds (distance) C4'-P energy: -109.124
bonds (distance) P-C4' energy: -119.956
flat angles C4'-P-C4' energy: -150.218
flat angles P-C4'-P energy: -99.024
tors. eta vs tors. theta energy: -219.737
Dist. restrs. and SS energy: 12.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2407.405988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.405988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.817395 (E_RNA)
where:
Base-Base interactions energy: -1699.121
where: short stacking energy: -686.328
Base-Backbone interact. energy: -2.054
local terms energy: -719.642748
where:
bonds (distance) C4'-P energy: -126.643
bonds (distance) P-C4' energy: -122.561
flat angles C4'-P-C4' energy: -150.585
flat angles P-C4'-P energy: -100.307
tors. eta vs tors. theta energy: -219.546
Dist. restrs. and SS energy: 13.411 (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: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2326.026010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.026010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.319225 (E_RNA)
where:
Base-Base interactions energy: -1634.263
where: short stacking energy: -667.478
Base-Backbone interact. energy: 0.222
local terms energy: -704.277656
where:
bonds (distance) C4'-P energy: -120.356
bonds (distance) P-C4' energy: -115.739
flat angles C4'-P-C4' energy: -152.903
flat angles P-C4'-P energy: -96.132
tors. eta vs tors. theta energy: -219.148
Dist. restrs. and SS energy: 12.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2230.213986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.213986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.974270 (E_RNA)
where:
Base-Base interactions energy: -1574.997
where: short stacking energy: -630.010
Base-Backbone interact. energy: -2.847
local terms energy: -669.130558
where:
bonds (distance) C4'-P energy: -116.418
bonds (distance) P-C4' energy: -130.401
flat angles C4'-P-C4' energy: -133.982
flat angles P-C4'-P energy: -83.600
tors. eta vs tors. theta energy: -204.730
Dist. restrs. and SS energy: 16.760 (S_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: 63
Temperature: 1.250000
Total energy: -2130.729674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.729674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.775956 (E_RNA)
where:
Base-Base interactions energy: -1541.741
where: short stacking energy: -628.599
Base-Backbone interact. energy: -1.408
local terms energy: -611.627011
where:
bonds (distance) C4'-P energy: -101.303
bonds (distance) P-C4' energy: -105.516
flat angles C4'-P-C4' energy: -129.849
flat angles P-C4'-P energy: -76.634
tors. eta vs tors. theta energy: -198.325
Dist. restrs. and SS energy: 24.046 (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: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -2015.078806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.078806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.410157 (E_RNA)
where:
Base-Base interactions energy: -1407.973
where: short stacking energy: -574.383
Base-Backbone interact. energy: -1.511
local terms energy: -631.925590
where:
bonds (distance) C4'-P energy: -116.597
bonds (distance) P-C4' energy: -124.689
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -67.929
tors. eta vs tors. theta energy: -190.395
Dist. restrs. and SS energy: 26.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1898.046216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.046216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.064105 (E_RNA)
where:
Base-Base interactions energy: -1371.151
where: short stacking energy: -547.515
Base-Backbone interact. energy: 5.398
local terms energy: -558.311382
where:
bonds (distance) C4'-P energy: -95.825
bonds (distance) P-C4' energy: -113.861
flat angles C4'-P-C4' energy: -128.440
flat angles P-C4'-P energy: -68.841
tors. eta vs tors. theta energy: -151.345
Dist. restrs. and SS energy: 26.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2667.066590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.066590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.923196 (E_RNA)
where:
Base-Base interactions energy: -1880.718
where: short stacking energy: -783.146
Base-Backbone interact. energy: -4.372
local terms energy: -797.833276
where:
bonds (distance) C4'-P energy: -132.451
bonds (distance) P-C4' energy: -142.544
flat angles C4'-P-C4' energy: -162.780
flat angles P-C4'-P energy: -118.987
tors. eta vs tors. theta energy: -241.071
Dist. restrs. and SS energy: 15.857 (S_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: 64
Temperature: 0.950000
Total energy: -2598.184847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.184847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.812424 (E_RNA)
where:
Base-Base interactions energy: -1829.791
where: short stacking energy: -741.380
Base-Backbone interact. energy: -4.310
local terms energy: -774.711771
where:
bonds (distance) C4'-P energy: -142.955
bonds (distance) P-C4' energy: -141.781
flat angles C4'-P-C4' energy: -164.701
flat angles P-C4'-P energy: -113.348
tors. eta vs tors. theta energy: -211.927
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: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2565.267327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.267327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.822017 (E_RNA)
where:
Base-Base interactions energy: -1820.822
where: short stacking energy: -737.157
Base-Backbone interact. energy: -2.998
local terms energy: -751.002171
where:
bonds (distance) C4'-P energy: -128.170
bonds (distance) P-C4' energy: -129.175
flat angles C4'-P-C4' energy: -151.658
flat angles P-C4'-P energy: -121.007
tors. eta vs tors. theta energy: -220.991
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: 64
Temperature: 1.050000
Total energy: -2543.737206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.737206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.482437 (E_RNA)
where:
Base-Base interactions energy: -1795.910
where: short stacking energy: -747.932
Base-Backbone interact. energy: -2.638
local terms energy: -756.935014
where:
bonds (distance) C4'-P energy: -136.479
bonds (distance) P-C4' energy: -133.621
flat angles C4'-P-C4' energy: -148.668
flat angles P-C4'-P energy: -110.668
tors. eta vs tors. theta energy: -227.499
Dist. restrs. and SS energy: 11.745 (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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2393.979180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.979180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.879427 (E_RNA)
where:
Base-Base interactions energy: -1694.215
where: short stacking energy: -707.388
Base-Backbone interact. energy: -1.276
local terms energy: -713.388984
where:
bonds (distance) C4'-P energy: -125.246
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -148.650
flat angles P-C4'-P energy: -103.135
tors. eta vs tors. theta energy: -223.030
Dist. restrs. and SS energy: 14.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2327.867221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.867221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.531434 (E_RNA)
where:
Base-Base interactions energy: -1641.115
where: short stacking energy: -658.265
Base-Backbone interact. energy: -1.961
local terms energy: -693.455023
where:
bonds (distance) C4'-P energy: -115.890
bonds (distance) P-C4' energy: -127.005
flat angles C4'-P-C4' energy: -150.942
flat angles P-C4'-P energy: -90.736
tors. eta vs tors. theta energy: -208.881
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: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2187.315635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.315635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.465174 (E_RNA)
where:
Base-Base interactions energy: -1544.549
where: short stacking energy: -639.113
Base-Backbone interact. energy: -4.045
local terms energy: -650.871786
where:
bonds (distance) C4'-P energy: -108.694
bonds (distance) P-C4' energy: -101.401
flat angles C4'-P-C4' energy: -145.538
flat angles P-C4'-P energy: -91.392
tors. eta vs tors. theta energy: -203.847
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2140.750321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.750321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.110280 (E_RNA)
where:
Base-Base interactions energy: -1507.248
where: short stacking energy: -615.087
Base-Backbone interact. energy: -2.877
local terms energy: -647.984650
where:
bonds (distance) C4'-P energy: -121.829
bonds (distance) P-C4' energy: -114.539
flat angles C4'-P-C4' energy: -137.646
flat angles P-C4'-P energy: -74.367
tors. eta vs tors. theta energy: -199.603
Dist. restrs. and SS energy: 17.360 (S_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: 64
Temperature: 1.300000
Total energy: -2019.200734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.617975 (E_RNA)
where:
Base-Base interactions energy: -1439.716
where: short stacking energy: -587.860
Base-Backbone interact. energy: -1.269
local terms energy: -590.633761
where:
bonds (distance) C4'-P energy: -110.281
bonds (distance) P-C4' energy: -87.195
flat angles C4'-P-C4' energy: -126.175
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -190.183
Dist. restrs. and SS energy: 12.417 (S_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: 64
Temperature: 1.350000
Total energy: -1842.215483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.215483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.034103 (E_RNA)
where:
Base-Base interactions energy: -1327.719
where: short stacking energy: -509.179
Base-Backbone interact. energy: -1.506
local terms energy: -536.809266
where:
bonds (distance) C4'-P energy: -108.808
bonds (distance) P-C4' energy: -100.141
flat angles C4'-P-C4' energy: -109.754
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -149.956
Dist. restrs. and SS energy: 23.819 (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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2649.304528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.304528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.560331 (E_RNA)
where:
Base-Base interactions energy: -1896.417
where: short stacking energy: -786.992
Base-Backbone interact. energy: -1.155
local terms energy: -763.988175
where:
bonds (distance) C4'-P energy: -124.238
bonds (distance) P-C4' energy: -137.515
flat angles C4'-P-C4' energy: -155.213
flat angles P-C4'-P energy: -110.538
tors. eta vs tors. theta energy: -236.484
Dist. restrs. and SS energy: 12.256 (S_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: 65
Temperature: 0.950000
Total energy: -2623.474925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.474925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.474532 (E_RNA)
where:
Base-Base interactions energy: -1860.745
where: short stacking energy: -749.305
Base-Backbone interact. energy: -1.050
local terms energy: -770.679806
where:
bonds (distance) C4'-P energy: -141.661
bonds (distance) P-C4' energy: -137.935
flat angles C4'-P-C4' energy: -156.329
flat angles P-C4'-P energy: -106.745
tors. eta vs tors. theta energy: -228.009
Dist. restrs. and SS energy: 9.000 (S_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: 65
Temperature: 1.000000
Total energy: -2529.369368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.369368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.754010 (E_RNA)
where:
Base-Base interactions energy: -1813.943
where: short stacking energy: -726.168
Base-Backbone interact. energy: -3.578
local terms energy: -726.232647
where:
bonds (distance) C4'-P energy: -129.365
bonds (distance) P-C4' energy: -130.965
flat angles C4'-P-C4' energy: -157.712
flat angles P-C4'-P energy: -104.530
tors. eta vs tors. theta energy: -203.661
Dist. restrs. and SS energy: 14.385 (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: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2423.399445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.399445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.956419 (E_RNA)
where:
Base-Base interactions energy: -1716.223
where: short stacking energy: -700.424
Base-Backbone interact. energy: 0.333
local terms energy: -719.066091
where:
bonds (distance) C4'-P energy: -128.328
bonds (distance) P-C4' energy: -134.318
flat angles C4'-P-C4' energy: -147.503
flat angles P-C4'-P energy: -87.880
tors. eta vs tors. theta energy: -221.037
Dist. restrs. and SS energy: 11.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2424.297020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.297020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.550453 (E_RNA)
where:
Base-Base interactions energy: -1721.443
where: short stacking energy: -699.150
Base-Backbone interact. energy: -2.419
local terms energy: -717.688625
where:
bonds (distance) C4'-P energy: -130.793
bonds (distance) P-C4' energy: -127.987
flat angles C4'-P-C4' energy: -137.979
flat angles P-C4'-P energy: -101.714
tors. eta vs tors. theta energy: -219.215
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2329.081827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.081827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.341161 (E_RNA)
where:
Base-Base interactions energy: -1646.348
where: short stacking energy: -696.104
Base-Backbone interact. energy: -1.797
local terms energy: -691.195997
where:
bonds (distance) C4'-P energy: -111.745
bonds (distance) P-C4' energy: -135.804
flat angles C4'-P-C4' energy: -138.376
flat angles P-C4'-P energy: -97.321
tors. eta vs tors. theta energy: -207.949
Dist. restrs. and SS energy: 10.259 (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: 65
Temperature: 1.200000
Total energy: -2182.540676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.540676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.786063 (E_RNA)
where:
Base-Base interactions energy: -1543.561
where: short stacking energy: -638.869
Base-Backbone interact. energy: 0.267
local terms energy: -655.492167
where:
bonds (distance) C4'-P energy: -108.954
bonds (distance) P-C4' energy: -113.955
flat angles C4'-P-C4' energy: -132.880
flat angles P-C4'-P energy: -108.467
tors. eta vs tors. theta energy: -191.236
Dist. restrs. and SS energy: 16.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2122.025116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.025116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.566557 (E_RNA)
where:
Base-Base interactions energy: -1501.982
where: short stacking energy: -614.292
Base-Backbone interact. energy: -2.774
local terms energy: -634.810055
where:
bonds (distance) C4'-P energy: -101.846
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -152.900
flat angles P-C4'-P energy: -85.938
tors. eta vs tors. theta energy: -176.240
Dist. restrs. and SS energy: 17.541 (S_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: 65
Temperature: 1.300000
Total energy: -1971.766632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.766632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.834117 (E_RNA)
where:
Base-Base interactions energy: -1387.445
where: short stacking energy: -573.060
Base-Backbone interact. energy: -0.406
local terms energy: -611.982478
where:
bonds (distance) C4'-P energy: -133.466
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -132.372
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -163.785
Dist. restrs. and SS energy: 28.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1842.665159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.665159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.823182 (E_RNA)
where:
Base-Base interactions energy: -1316.641
where: short stacking energy: -540.468
Base-Backbone interact. energy: 7.459
local terms energy: -554.640915
where:
bonds (distance) C4'-P energy: -118.031
bonds (distance) P-C4' energy: -89.331
flat angles C4'-P-C4' energy: -125.564
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -155.505
Dist. restrs. and SS energy: 21.158 (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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2655.859138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.859138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.344987 (E_RNA)
where:
Base-Base interactions energy: -1883.576
where: short stacking energy: -782.358
Base-Backbone interact. energy: -1.038
local terms energy: -782.731380
where:
bonds (distance) C4'-P energy: -148.272
bonds (distance) P-C4' energy: -140.583
flat angles C4'-P-C4' energy: -160.425
flat angles P-C4'-P energy: -108.313
tors. eta vs tors. theta energy: -225.138
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: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2640.856736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.856736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.568869 (E_RNA)
where:
Base-Base interactions energy: -1858.270
where: short stacking energy: -744.531
Base-Backbone interact. energy: -1.134
local terms energy: -789.165109
where:
bonds (distance) C4'-P energy: -130.689
bonds (distance) P-C4' energy: -142.936
flat angles C4'-P-C4' energy: -166.818
flat angles P-C4'-P energy: -110.295
tors. eta vs tors. theta energy: -238.427
Dist. restrs. and SS energy: 7.712 (S_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: -2523.481795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.481795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.371756 (E_RNA)
where:
Base-Base interactions energy: -1787.654
where: short stacking energy: -723.980
Base-Backbone interact. energy: -1.573
local terms energy: -747.144064
where:
bonds (distance) C4'-P energy: -140.806
bonds (distance) P-C4' energy: -143.889
flat angles C4'-P-C4' energy: -141.036
flat angles P-C4'-P energy: -102.778
tors. eta vs tors. theta energy: -218.634
Dist. restrs. and SS energy: 12.890 (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: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2407.727683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.727683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.568721 (E_RNA)
where:
Base-Base interactions energy: -1693.184
where: short stacking energy: -690.497
Base-Backbone interact. energy: -1.434
local terms energy: -727.950849
where:
bonds (distance) C4'-P energy: -130.415
bonds (distance) P-C4' energy: -125.954
flat angles C4'-P-C4' energy: -153.592
flat angles P-C4'-P energy: -113.758
tors. eta vs tors. theta energy: -204.232
Dist. restrs. and SS energy: 14.841 (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: 66
Temperature: 1.100000
Total energy: -2431.959024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.959024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.953887 (E_RNA)
where:
Base-Base interactions energy: -1750.831
where: short stacking energy: -706.748
Base-Backbone interact. energy: -2.547
local terms energy: -694.576147
where:
bonds (distance) C4'-P energy: -117.783
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -150.555
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -213.552
Dist. restrs. and SS energy: 15.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2306.503162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.503162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.239041 (E_RNA)
where:
Base-Base interactions energy: -1629.682
where: short stacking energy: -673.747
Base-Backbone interact. energy: 0.575
local terms energy: -685.132464
where:
bonds (distance) C4'-P energy: -106.365
bonds (distance) P-C4' energy: -114.785
flat angles C4'-P-C4' energy: -155.430
flat angles P-C4'-P energy: -98.118
tors. eta vs tors. theta energy: -210.434
Dist. restrs. and SS energy: 7.736 (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: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2164.474986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.474986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.844147 (E_RNA)
where:
Base-Base interactions energy: -1513.680
where: short stacking energy: -590.353
Base-Backbone interact. energy: -1.368
local terms energy: -656.796939
where:
bonds (distance) C4'-P energy: -120.766
bonds (distance) P-C4' energy: -126.609
flat angles C4'-P-C4' energy: -134.558
flat angles P-C4'-P energy: -95.048
tors. eta vs tors. theta energy: -179.816
Dist. restrs. and SS energy: 7.369 (S_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: 66
Temperature: 1.250000
Total energy: -2183.278501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.278501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.867360 (E_RNA)
where:
Base-Base interactions energy: -1549.032
where: short stacking energy: -624.866
Base-Backbone interact. energy: -2.201
local terms energy: -646.634475
where:
bonds (distance) C4'-P energy: -109.816
bonds (distance) P-C4' energy: -104.779
flat angles C4'-P-C4' energy: -138.212
flat angles P-C4'-P energy: -97.456
tors. eta vs tors. theta energy: -196.372
Dist. restrs. and SS energy: 14.589 (S_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: 66
Temperature: 1.300000
Total energy: -2000.112095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.299977 (E_RNA)
where:
Base-Base interactions energy: -1401.942
where: short stacking energy: -581.013
Base-Backbone interact. energy: 2.632
local terms energy: -626.990190
where:
bonds (distance) C4'-P energy: -113.695
bonds (distance) P-C4' energy: -106.194
flat angles C4'-P-C4' energy: -144.730
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -177.829
Dist. restrs. and SS energy: 26.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1873.919183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.919183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.233754 (E_RNA)
where:
Base-Base interactions energy: -1335.879
where: short stacking energy: -528.579
Base-Backbone interact. energy: -1.566
local terms energy: -559.788914
where:
bonds (distance) C4'-P energy: -100.426
bonds (distance) P-C4' energy: -117.677
flat angles C4'-P-C4' energy: -101.048
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -159.561
Dist. restrs. and SS energy: 23.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2648.718400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.274176 (E_RNA)
where:
Base-Base interactions energy: -1876.170
where: short stacking energy: -761.170
Base-Backbone interact. energy: -2.915
local terms energy: -778.189369
where:
bonds (distance) C4'-P energy: -140.589
bonds (distance) P-C4' energy: -139.478
flat angles C4'-P-C4' energy: -161.061
flat angles P-C4'-P energy: -106.198
tors. eta vs tors. theta energy: -230.863
Dist. restrs. and SS energy: 8.556 (S_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: -2609.659098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.659098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.800944 (E_RNA)
where:
Base-Base interactions energy: -1816.064
where: short stacking energy: -741.348
Base-Backbone interact. energy: -0.218
local terms energy: -803.519331
where:
bonds (distance) C4'-P energy: -151.854
bonds (distance) P-C4' energy: -142.291
flat angles C4'-P-C4' energy: -160.329
flat angles P-C4'-P energy: -111.994
tors. eta vs tors. theta energy: -237.052
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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2539.052936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.052936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.399006 (E_RNA)
where:
Base-Base interactions energy: -1788.963
where: short stacking energy: -723.796
Base-Backbone interact. energy: -4.760
local terms energy: -752.676068
where:
bonds (distance) C4'-P energy: -125.761
bonds (distance) P-C4' energy: -140.394
flat angles C4'-P-C4' energy: -158.745
flat angles P-C4'-P energy: -110.781
tors. eta vs tors. theta energy: -216.994
Dist. restrs. and SS energy: 7.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2488.727183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.727183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.868178 (E_RNA)
where:
Base-Base interactions energy: -1780.448
where: short stacking energy: -736.629
Base-Backbone interact. energy: -2.490
local terms energy: -721.930249
where:
bonds (distance) C4'-P energy: -130.171
bonds (distance) P-C4' energy: -118.858
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -104.717
tors. eta vs tors. theta energy: -229.615
Dist. restrs. and SS energy: 16.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2403.610709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.610709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.781975 (E_RNA)
where:
Base-Base interactions energy: -1668.267
where: short stacking energy: -681.428
Base-Backbone interact. energy: 3.051
local terms energy: -751.566517
where:
bonds (distance) C4'-P energy: -144.957
bonds (distance) P-C4' energy: -132.958
flat angles C4'-P-C4' energy: -154.551
flat angles P-C4'-P energy: -107.256
tors. eta vs tors. theta energy: -211.845
Dist. restrs. and SS energy: 13.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2332.857752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.857752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.891182 (E_RNA)
where:
Base-Base interactions energy: -1632.261
where: short stacking energy: -666.790
Base-Backbone interact. energy: -3.115
local terms energy: -706.515141
where:
bonds (distance) C4'-P energy: -140.466
bonds (distance) P-C4' energy: -112.264
flat angles C4'-P-C4' energy: -151.374
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -220.364
Dist. restrs. and SS energy: 9.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2177.839093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.487381 (E_RNA)
where:
Base-Base interactions energy: -1543.094
where: short stacking energy: -616.716
Base-Backbone interact. energy: 0.707
local terms energy: -650.099826
where:
bonds (distance) C4'-P energy: -121.545
bonds (distance) P-C4' energy: -124.766
flat angles C4'-P-C4' energy: -142.175
flat angles P-C4'-P energy: -77.155
tors. eta vs tors. theta energy: -184.459
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: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2195.684645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.684645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.524127 (E_RNA)
where:
Base-Base interactions energy: -1576.068
where: short stacking energy: -647.890
Base-Backbone interact. energy: -2.783
local terms energy: -632.672766
where:
bonds (distance) C4'-P energy: -114.457
bonds (distance) P-C4' energy: -111.578
flat angles C4'-P-C4' energy: -127.087
flat angles P-C4'-P energy: -84.658
tors. eta vs tors. theta energy: -194.893
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: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1975.898471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.898471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.521965 (E_RNA)
where:
Base-Base interactions energy: -1380.769
where: short stacking energy: -546.248
Base-Backbone interact. energy: 2.104
local terms energy: -616.856771
where:
bonds (distance) C4'-P energy: -119.663
bonds (distance) P-C4' energy: -109.563
flat angles C4'-P-C4' energy: -136.639
flat angles P-C4'-P energy: -87.334
tors. eta vs tors. theta energy: -163.658
Dist. restrs. and SS energy: 19.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1886.028080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.028080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.993786 (E_RNA)
where:
Base-Base interactions energy: -1346.819
where: short stacking energy: -546.580
Base-Backbone interact. energy: 6.935
local terms energy: -575.110253
where:
bonds (distance) C4'-P energy: -98.699
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -127.037
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: -166.775
Dist. restrs. and SS energy: 28.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2656.756943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.756943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.390649 (E_RNA)
where:
Base-Base interactions energy: -1868.136
where: short stacking energy: -779.021
Base-Backbone interact. energy: -2.244
local terms energy: -794.010873
where:
bonds (distance) C4'-P energy: -152.400
bonds (distance) P-C4' energy: -144.000
flat angles C4'-P-C4' energy: -156.692
flat angles P-C4'-P energy: -103.913
tors. eta vs tors. theta energy: -237.006
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: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2629.616451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.616451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.669508 (E_RNA)
where:
Base-Base interactions energy: -1877.915
where: short stacking energy: -768.413
Base-Backbone interact. energy: -2.613
local terms energy: -763.141751
where:
bonds (distance) C4'-P energy: -137.123
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -155.660
flat angles P-C4'-P energy: -108.719
tors. eta vs tors. theta energy: -231.962
Dist. restrs. and SS energy: 14.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2541.651438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.651438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.633142 (E_RNA)
where:
Base-Base interactions energy: -1822.598
where: short stacking energy: -748.461
Base-Backbone interact. energy: -1.774
local terms energy: -730.260766
where:
bonds (distance) C4'-P energy: -138.960
bonds (distance) P-C4' energy: -125.672
flat angles C4'-P-C4' energy: -138.029
flat angles P-C4'-P energy: -105.385
tors. eta vs tors. theta energy: -222.214
Dist. restrs. and SS energy: 12.982 (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: 68
Temperature: 1.050000
Total energy: -2486.768950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.768950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.863991 (E_RNA)
where:
Base-Base interactions energy: -1772.841
where: short stacking energy: -723.719
Base-Backbone interact. energy: -0.022
local terms energy: -724.000788
where:
bonds (distance) C4'-P energy: -127.722
bonds (distance) P-C4' energy: -138.489
flat angles C4'-P-C4' energy: -147.611
flat angles P-C4'-P energy: -97.137
tors. eta vs tors. theta energy: -213.043
Dist. restrs. and SS energy: 10.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2371.829668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.829668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.875472 (E_RNA)
where:
Base-Base interactions energy: -1691.619
where: short stacking energy: -693.849
Base-Backbone interact. energy: -1.638
local terms energy: -690.618576
where:
bonds (distance) C4'-P energy: -129.231
bonds (distance) P-C4' energy: -119.363
flat angles C4'-P-C4' energy: -139.898
flat angles P-C4'-P energy: -95.805
tors. eta vs tors. theta energy: -206.321
Dist. restrs. and SS energy: 12.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2300.894343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.894343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.288428 (E_RNA)
where:
Base-Base interactions energy: -1636.873
where: short stacking energy: -668.391
Base-Backbone interact. energy: -1.213
local terms energy: -677.201651
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -97.457
flat angles C4'-P-C4' energy: -146.379
flat angles P-C4'-P energy: -100.128
tors. eta vs tors. theta energy: -208.441
Dist. restrs. and SS energy: 14.394 (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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2234.078021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.199933 (E_RNA)
where:
Base-Base interactions energy: -1606.065
where: short stacking energy: -661.998
Base-Backbone interact. energy: -2.200
local terms energy: -638.934423
where:
bonds (distance) C4'-P energy: -117.957
bonds (distance) P-C4' energy: -105.982
flat angles C4'-P-C4' energy: -137.427
flat angles P-C4'-P energy: -85.516
tors. eta vs tors. theta energy: -192.052
Dist. restrs. and SS energy: 13.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2149.744817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.744817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.575236 (E_RNA)
where:
Base-Base interactions energy: -1506.888
where: short stacking energy: -595.978
Base-Backbone interact. energy: -1.891
local terms energy: -668.796700
where:
bonds (distance) C4'-P energy: -125.875
bonds (distance) P-C4' energy: -132.470
flat angles C4'-P-C4' energy: -134.528
flat angles P-C4'-P energy: -80.990
tors. eta vs tors. theta energy: -194.933
Dist. restrs. and SS energy: 27.830 (S_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: 68
Temperature: 1.300000
Total energy: -1996.018720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.018720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.525273 (E_RNA)
where:
Base-Base interactions energy: -1407.405
where: short stacking energy: -554.356
Base-Backbone interact. energy: -1.818
local terms energy: -603.301623
where:
bonds (distance) C4'-P energy: -107.096
bonds (distance) P-C4' energy: -111.689
flat angles C4'-P-C4' energy: -126.375
flat angles P-C4'-P energy: -88.799
tors. eta vs tors. theta energy: -169.342
Dist. restrs. and SS energy: 16.507 (S_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: 68
Temperature: 1.350000
Total energy: -1838.156102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.156102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.338188 (E_RNA)
where:
Base-Base interactions energy: -1310.350
where: short stacking energy: -532.233
Base-Backbone interact. energy: -2.362
local terms energy: -545.626323
where:
bonds (distance) C4'-P energy: -101.274
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -115.809
flat angles P-C4'-P energy: -64.584
tors. eta vs tors. theta energy: -151.558
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: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2670.999107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.999107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.928313 (E_RNA)
where:
Base-Base interactions energy: -1887.054
where: short stacking energy: -780.529
Base-Backbone interact. energy: -1.999
local terms energy: -789.875921
where:
bonds (distance) C4'-P energy: -139.263
bonds (distance) P-C4' energy: -144.099
flat angles C4'-P-C4' energy: -156.705
flat angles P-C4'-P energy: -118.174
tors. eta vs tors. theta energy: -231.635
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2602.029993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.029993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.882175 (E_RNA)
where:
Base-Base interactions energy: -1844.568
where: short stacking energy: -750.313
Base-Backbone interact. energy: -2.992
local terms energy: -762.322666
where:
bonds (distance) C4'-P energy: -128.597
bonds (distance) P-C4' energy: -133.553
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -111.705
tors. eta vs tors. theta energy: -231.735
Dist. restrs. and SS energy: 7.852 (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: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2613.127022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.127022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.820893 (E_RNA)
where:
Base-Base interactions energy: -1839.079
where: short stacking energy: -755.029
Base-Backbone interact. energy: -1.347
local terms energy: -785.394885
where:
bonds (distance) C4'-P energy: -137.055
bonds (distance) P-C4' energy: -151.130
flat angles C4'-P-C4' energy: -158.452
flat angles P-C4'-P energy: -112.470
tors. eta vs tors. theta energy: -226.288
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2499.429301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.429301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.351726 (E_RNA)
where:
Base-Base interactions energy: -1766.221
where: short stacking energy: -742.339
Base-Backbone interact. energy: 0.210
local terms energy: -743.341549
where:
bonds (distance) C4'-P energy: -122.711
bonds (distance) P-C4' energy: -142.086
flat angles C4'-P-C4' energy: -161.862
flat angles P-C4'-P energy: -95.454
tors. eta vs tors. theta energy: -221.228
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: 69
Temperature: 1.100000
Total energy: -2388.089774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.089774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.580724 (E_RNA)
where:
Base-Base interactions energy: -1723.714
where: short stacking energy: -686.613
Base-Backbone interact. energy: 3.500
local terms energy: -682.366816
where:
bonds (distance) C4'-P energy: -114.307
bonds (distance) P-C4' energy: -124.723
flat angles C4'-P-C4' energy: -151.425
flat angles P-C4'-P energy: -93.602
tors. eta vs tors. theta energy: -198.310
Dist. restrs. and SS energy: 14.491 (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: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2337.117309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.117309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.839494 (E_RNA)
where:
Base-Base interactions energy: -1626.663
where: short stacking energy: -678.478
Base-Backbone interact. energy: -2.555
local terms energy: -725.621538
where:
bonds (distance) C4'-P energy: -143.288
bonds (distance) P-C4' energy: -127.684
flat angles C4'-P-C4' energy: -142.188
flat angles P-C4'-P energy: -110.435
tors. eta vs tors. theta energy: -202.027
Dist. restrs. and SS energy: 17.722 (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: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2228.767463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.767463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.939994 (E_RNA)
where:
Base-Base interactions energy: -1588.605
where: short stacking energy: -622.922
Base-Backbone interact. energy: -3.269
local terms energy: -648.066671
where:
bonds (distance) C4'-P energy: -103.939
bonds (distance) P-C4' energy: -111.475
flat angles C4'-P-C4' energy: -134.032
flat angles P-C4'-P energy: -95.660
tors. eta vs tors. theta energy: -202.961
Dist. restrs. and SS energy: 11.173 (S_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: 69
Temperature: 1.250000
Total energy: -2108.814608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.814608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.544829 (E_RNA)
where:
Base-Base interactions energy: -1516.151
where: short stacking energy: -610.637
Base-Backbone interact. energy: -1.929
local terms energy: -611.465040
where:
bonds (distance) C4'-P energy: -105.503
bonds (distance) P-C4' energy: -113.799
flat angles C4'-P-C4' energy: -143.757
flat angles P-C4'-P energy: -82.350
tors. eta vs tors. theta energy: -166.056
Dist. restrs. and SS energy: 20.730 (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: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1966.893846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.893846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.610938 (E_RNA)
where:
Base-Base interactions energy: -1400.318
where: short stacking energy: -552.074
Base-Backbone interact. energy: -1.566
local terms energy: -595.726668
where:
bonds (distance) C4'-P energy: -111.709
bonds (distance) P-C4' energy: -127.354
flat angles C4'-P-C4' energy: -115.581
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -161.681
Dist. restrs. and SS energy: 30.717 (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: 69
Temperature: 1.350000
Total energy: -1807.940165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.940165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.136572 (E_RNA)
where:
Base-Base interactions energy: -1291.948
where: short stacking energy: -511.503
Base-Backbone interact. energy: -1.931
local terms energy: -538.257556
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -102.620
flat angles C4'-P-C4' energy: -114.578
flat angles P-C4'-P energy: -80.659
tors. eta vs tors. theta energy: -136.719
Dist. restrs. and SS energy: 24.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2694.882378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.882378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.791407 (E_RNA)
where:
Base-Base interactions energy: -1890.470
where: short stacking energy: -794.319
Base-Backbone interact. energy: -1.986
local terms energy: -812.334787
where:
bonds (distance) C4'-P energy: -131.032
bonds (distance) P-C4' energy: -149.172
flat angles C4'-P-C4' energy: -171.971
flat angles P-C4'-P energy: -117.678
tors. eta vs tors. theta energy: -242.483
Dist. restrs. and SS energy: 9.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2638.372195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.372195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.192785 (E_RNA)
where:
Base-Base interactions energy: -1835.371
where: short stacking energy: -764.843
Base-Backbone interact. energy: -3.827
local terms energy: -815.994112
where:
bonds (distance) C4'-P energy: -139.043
bonds (distance) P-C4' energy: -152.994
flat angles C4'-P-C4' energy: -168.200
flat angles P-C4'-P energy: -120.475
tors. eta vs tors. theta energy: -235.282
Dist. restrs. and SS energy: 16.821 (S_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: 70
Temperature: 1.000000
Total energy: -2549.292449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.292449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.429912 (E_RNA)
where:
Base-Base interactions energy: -1783.743
where: short stacking energy: -733.007
Base-Backbone interact. energy: -3.461
local terms energy: -776.226291
where:
bonds (distance) C4'-P energy: -142.053
bonds (distance) P-C4' energy: -140.896
flat angles C4'-P-C4' energy: -172.447
flat angles P-C4'-P energy: -96.375
tors. eta vs tors. theta energy: -224.455
Dist. restrs. and SS energy: 14.137 (S_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: 70
Temperature: 1.050000
Total energy: -2463.158338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.158338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.196548 (E_RNA)
where:
Base-Base interactions energy: -1746.032
where: short stacking energy: -723.865
Base-Backbone interact. energy: -0.432
local terms energy: -728.732225
where:
bonds (distance) C4'-P energy: -147.248
bonds (distance) P-C4' energy: -126.930
flat angles C4'-P-C4' energy: -149.625
flat angles P-C4'-P energy: -83.563
tors. eta vs tors. theta energy: -221.366
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: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2429.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.384098 (E_RNA)
where:
Base-Base interactions energy: -1722.236
where: short stacking energy: -716.791
Base-Backbone interact. energy: -0.424
local terms energy: -720.724525
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -120.439
flat angles C4'-P-C4' energy: -153.346
flat angles P-C4'-P energy: -115.493
tors. eta vs tors. theta energy: -216.663
Dist. restrs. and SS energy: 14.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2340.362888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.362888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.411128 (E_RNA)
where:
Base-Base interactions energy: -1663.541
where: short stacking energy: -693.047
Base-Backbone interact. energy: 0.695
local terms energy: -688.564828
where:
bonds (distance) C4'-P energy: -117.183
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -146.114
flat angles P-C4'-P energy: -95.544
tors. eta vs tors. theta energy: -203.324
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: 70
Temperature: 1.200000
Total energy: -2224.393133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.393133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.450867 (E_RNA)
where:
Base-Base interactions energy: -1623.484
where: short stacking energy: -643.356
Base-Backbone interact. energy: -0.852
local terms energy: -607.114969
where:
bonds (distance) C4'-P energy: -127.357
bonds (distance) P-C4' energy: -91.304
flat angles C4'-P-C4' energy: -116.361
flat angles P-C4'-P energy: -81.591
tors. eta vs tors. theta energy: -190.502
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: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2136.685142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.685142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.180236 (E_RNA)
where:
Base-Base interactions energy: -1506.348
where: short stacking energy: -608.675
Base-Backbone interact. energy: -1.581
local terms energy: -644.251042
where:
bonds (distance) C4'-P energy: -101.651
bonds (distance) P-C4' energy: -135.014
flat angles C4'-P-C4' energy: -132.832
flat angles P-C4'-P energy: -93.028
tors. eta vs tors. theta energy: -181.725
Dist. restrs. and SS energy: 15.495 (S_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: 70
Temperature: 1.300000
Total energy: -2000.750757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.750757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.133287 (E_RNA)
where:
Base-Base interactions energy: -1376.470
where: short stacking energy: -561.878
Base-Backbone interact. energy: -3.381
local terms energy: -642.282454
where:
bonds (distance) C4'-P energy: -121.366
bonds (distance) P-C4' energy: -118.779
flat angles C4'-P-C4' energy: -136.183
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -174.641
Dist. restrs. and SS energy: 21.383 (S_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: -1811.589864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.589864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.720104 (E_RNA)
where:
Base-Base interactions energy: -1284.192
where: short stacking energy: -527.944
Base-Backbone interact. energy: -0.219
local terms energy: -551.309758
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -128.285
flat angles C4'-P-C4' energy: -108.314
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -161.559
Dist. restrs. and SS energy: 24.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2657.420895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.420895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.743547 (E_RNA)
where:
Base-Base interactions energy: -1899.821
where: short stacking energy: -775.209
Base-Backbone interact. energy: -1.712
local terms energy: -765.210571
where:
bonds (distance) C4'-P energy: -132.751
bonds (distance) P-C4' energy: -128.545
flat angles C4'-P-C4' energy: -165.828
flat angles P-C4'-P energy: -109.151
tors. eta vs tors. theta energy: -228.936
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: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2601.755508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.755508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.529496 (E_RNA)
where:
Base-Base interactions energy: -1834.610
where: short stacking energy: -766.591
Base-Backbone interact. energy: -1.299
local terms energy: -775.621208
where:
bonds (distance) C4'-P energy: -139.453
bonds (distance) P-C4' energy: -137.129
flat angles C4'-P-C4' energy: -161.546
flat angles P-C4'-P energy: -102.680
tors. eta vs tors. theta energy: -234.812
Dist. restrs. and SS energy: 9.774 (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: 71
Temperature: 1.000000
Total energy: -2553.620283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.620283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.010883 (E_RNA)
where:
Base-Base interactions energy: -1836.615
where: short stacking energy: -746.810
Base-Backbone interact. energy: 1.640
local terms energy: -734.036329
where:
bonds (distance) C4'-P energy: -122.101
bonds (distance) P-C4' energy: -127.541
flat angles C4'-P-C4' energy: -152.269
flat angles P-C4'-P energy: -105.761
tors. eta vs tors. theta energy: -226.364
Dist. restrs. and SS energy: 15.391 (S_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: 71
Temperature: 1.050000
Total energy: -2454.589047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.589047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.679337 (E_RNA)
where:
Base-Base interactions energy: -1725.931
where: short stacking energy: -722.149
Base-Backbone interact. energy: -2.326
local terms energy: -736.422668
where:
bonds (distance) C4'-P energy: -149.008
bonds (distance) P-C4' energy: -124.844
flat angles C4'-P-C4' energy: -150.805
flat angles P-C4'-P energy: -102.051
tors. eta vs tors. theta energy: -209.715
Dist. restrs. and SS energy: 10.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2365.767602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.767602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.995589 (E_RNA)
where:
Base-Base interactions energy: -1665.125
where: short stacking energy: -693.956
Base-Backbone interact. energy: -2.700
local terms energy: -712.170540
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -119.820
flat angles C4'-P-C4' energy: -148.067
flat angles P-C4'-P energy: -99.523
tors. eta vs tors. theta energy: -224.030
Dist. restrs. and SS energy: 14.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2307.272259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.272259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.538387 (E_RNA)
where:
Base-Base interactions energy: -1668.833
where: short stacking energy: -673.498
Base-Backbone interact. energy: -0.566
local terms energy: -650.138989
where:
bonds (distance) C4'-P energy: -98.498
bonds (distance) P-C4' energy: -117.303
flat angles C4'-P-C4' energy: -132.184
flat angles P-C4'-P energy: -99.991
tors. eta vs tors. theta energy: -202.163
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: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2243.546884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.546884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.940363 (E_RNA)
where:
Base-Base interactions energy: -1590.584
where: short stacking energy: -649.089
Base-Backbone interact. energy: -2.063
local terms energy: -671.293505
where:
bonds (distance) C4'-P energy: -112.990
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -147.387
flat angles P-C4'-P energy: -96.804
tors. eta vs tors. theta energy: -203.652
Dist. restrs. and SS energy: 20.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2123.078088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.078088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.344988 (E_RNA)
where:
Base-Base interactions energy: -1506.528
where: short stacking energy: -611.915
Base-Backbone interact. energy: -2.701
local terms energy: -636.115426
where:
bonds (distance) C4'-P energy: -116.100
bonds (distance) P-C4' energy: -106.715
flat angles C4'-P-C4' energy: -137.190
flat angles P-C4'-P energy: -85.241
tors. eta vs tors. theta energy: -190.870
Dist. restrs. and SS energy: 22.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1971.684423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.684423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.702154 (E_RNA)
where:
Base-Base interactions energy: -1370.734
where: short stacking energy: -560.008
Base-Backbone interact. energy: -0.943
local terms energy: -623.024766
where:
bonds (distance) C4'-P energy: -115.741
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -127.097
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -172.462
Dist. restrs. and SS energy: 23.018 (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: 71
Temperature: 1.350000
Total energy: -1841.775326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.775326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.960794 (E_RNA)
where:
Base-Base interactions energy: -1288.499
where: short stacking energy: -518.541
Base-Backbone interact. energy: 1.414
local terms energy: -578.875940
where:
bonds (distance) C4'-P energy: -95.662
bonds (distance) P-C4' energy: -124.825
flat angles C4'-P-C4' energy: -135.931
flat angles P-C4'-P energy: -69.270
tors. eta vs tors. theta energy: -153.188
Dist. restrs. and SS energy: 24.185 (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: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2665.747237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.486726 (E_RNA)
where:
Base-Base interactions energy: -1900.672
where: short stacking energy: -770.575
Base-Backbone interact. energy: -2.695
local terms energy: -768.118869
where:
bonds (distance) C4'-P energy: -133.469
bonds (distance) P-C4' energy: -130.918
flat angles C4'-P-C4' energy: -167.220
flat angles P-C4'-P energy: -101.442
tors. eta vs tors. theta energy: -235.069
Dist. restrs. and SS energy: 5.739 (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: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2602.276322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.276322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.579515 (E_RNA)
where:
Base-Base interactions energy: -1845.269
where: short stacking energy: -763.430
Base-Backbone interact. energy: -0.963
local terms energy: -765.347648
where:
bonds (distance) C4'-P energy: -135.574
bonds (distance) P-C4' energy: -135.958
flat angles C4'-P-C4' energy: -160.260
flat angles P-C4'-P energy: -117.570
tors. eta vs tors. theta energy: -215.986
Dist. restrs. and SS energy: 9.303 (S_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: 72
Temperature: 1.000000
Total energy: -2535.843833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.843833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.040554 (E_RNA)
where:
Base-Base interactions energy: -1801.712
where: short stacking energy: -734.829
Base-Backbone interact. energy: -3.014
local terms energy: -746.314587
where:
bonds (distance) C4'-P energy: -122.416
bonds (distance) P-C4' energy: -128.021
flat angles C4'-P-C4' energy: -161.101
flat angles P-C4'-P energy: -112.634
tors. eta vs tors. theta energy: -222.143
Dist. restrs. and SS energy: 15.197 (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: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2453.277901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.277901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.509422 (E_RNA)
where:
Base-Base interactions energy: -1725.415
where: short stacking energy: -696.584
Base-Backbone interact. energy: -0.850
local terms energy: -742.243917
where:
bonds (distance) C4'-P energy: -127.281
bonds (distance) P-C4' energy: -143.583
flat angles C4'-P-C4' energy: -150.712
flat angles P-C4'-P energy: -101.579
tors. eta vs tors. theta energy: -219.089
Dist. restrs. and SS energy: 15.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2379.777034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.777034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.980610 (E_RNA)
where:
Base-Base interactions energy: -1711.459
where: short stacking energy: -684.855
Base-Backbone interact. energy: -0.918
local terms energy: -681.604107
where:
bonds (distance) C4'-P energy: -128.206
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -138.984
flat angles P-C4'-P energy: -100.108
tors. eta vs tors. theta energy: -204.592
Dist. restrs. and SS energy: 14.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2330.031972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.031972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.112040 (E_RNA)
where:
Base-Base interactions energy: -1664.668
where: short stacking energy: -663.981
Base-Backbone interact. energy: -1.536
local terms energy: -677.907871
where:
bonds (distance) C4'-P energy: -110.541
bonds (distance) P-C4' energy: -132.500
flat angles C4'-P-C4' energy: -131.683
flat angles P-C4'-P energy: -103.023
tors. eta vs tors. theta energy: -200.160
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: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2197.181484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.181484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.437729 (E_RNA)
where:
Base-Base interactions energy: -1578.285
where: short stacking energy: -630.094
Base-Backbone interact. energy: 5.247
local terms energy: -645.399448
where:
bonds (distance) C4'-P energy: -111.648
bonds (distance) P-C4' energy: -119.060
flat angles C4'-P-C4' energy: -144.693
flat angles P-C4'-P energy: -86.415
tors. eta vs tors. theta energy: -183.583
Dist. restrs. and SS energy: 21.256 (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: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2178.737362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.737362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.102161 (E_RNA)
where:
Base-Base interactions energy: -1567.437
where: short stacking energy: -640.708
Base-Backbone interact. energy: -1.269
local terms energy: -625.396324
where:
bonds (distance) C4'-P energy: -116.319
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -142.267
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -180.123
Dist. restrs. and SS energy: 15.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1915.163163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.163163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.046084 (E_RNA)
where:
Base-Base interactions energy: -1342.112
where: short stacking energy: -540.854
Base-Backbone interact. energy: 0.048
local terms energy: -610.981604
where:
bonds (distance) C4'-P energy: -112.810
bonds (distance) P-C4' energy: -126.087
flat angles C4'-P-C4' energy: -132.012
flat angles P-C4'-P energy: -83.052
tors. eta vs tors. theta energy: -157.022
Dist. restrs. and SS energy: 37.883 (S_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: -1866.967204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.967204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.759187 (E_RNA)
where:
Base-Base interactions energy: -1335.977
where: short stacking energy: -540.459
Base-Backbone interact. energy: 5.144
local terms energy: -564.926732
where:
bonds (distance) C4'-P energy: -115.920
bonds (distance) P-C4' energy: -106.417
flat angles C4'-P-C4' energy: -116.424
flat angles P-C4'-P energy: -63.751
tors. eta vs tors. theta energy: -162.414
Dist. restrs. and SS energy: 28.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2657.798792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.798792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.806213 (E_RNA)
where:
Base-Base interactions energy: -1874.093
where: short stacking energy: -747.801
Base-Backbone interact. energy: -3.466
local terms energy: -785.247145
where:
bonds (distance) C4'-P energy: -138.740
bonds (distance) P-C4' energy: -136.945
flat angles C4'-P-C4' energy: -158.097
flat angles P-C4'-P energy: -114.794
tors. eta vs tors. theta energy: -236.672
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2636.339714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.339714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.282879 (E_RNA)
where:
Base-Base interactions energy: -1857.818
where: short stacking energy: -777.556
Base-Backbone interact. energy: -1.719
local terms energy: -786.745832
where:
bonds (distance) C4'-P energy: -149.888
bonds (distance) P-C4' energy: -116.417
flat angles C4'-P-C4' energy: -165.290
flat angles P-C4'-P energy: -119.761
tors. eta vs tors. theta energy: -235.391
Dist. restrs. and SS energy: 9.943 (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: 73
Temperature: 1.000000
Total energy: -2541.171988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.114115 (E_RNA)
where:
Base-Base interactions energy: -1810.669
where: short stacking energy: -725.204
Base-Backbone interact. energy: -0.753
local terms energy: -743.691612
where:
bonds (distance) C4'-P energy: -129.465
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -152.113
flat angles P-C4'-P energy: -107.848
tors. eta vs tors. theta energy: -225.012
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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2456.597911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.597911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.130097 (E_RNA)
where:
Base-Base interactions energy: -1703.881
where: short stacking energy: -709.368
Base-Backbone interact. energy: -2.552
local terms energy: -763.696992
where:
bonds (distance) C4'-P energy: -134.542
bonds (distance) P-C4' energy: -147.158
flat angles C4'-P-C4' energy: -156.859
flat angles P-C4'-P energy: -105.249
tors. eta vs tors. theta energy: -219.889
Dist. restrs. and SS energy: 13.532 (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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2372.938409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.938409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.778783 (E_RNA)
where:
Base-Base interactions energy: -1670.676
where: short stacking energy: -673.282
Base-Backbone interact. energy: 1.738
local terms energy: -721.840251
where:
bonds (distance) C4'-P energy: -138.585
bonds (distance) P-C4' energy: -139.275
flat angles C4'-P-C4' energy: -138.079
flat angles P-C4'-P energy: -100.077
tors. eta vs tors. theta energy: -205.824
Dist. restrs. and SS energy: 17.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2288.671977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.671977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.606968 (E_RNA)
where:
Base-Base interactions energy: -1609.898
where: short stacking energy: -650.821
Base-Backbone interact. energy: -1.814
local terms energy: -694.895524
where:
bonds (distance) C4'-P energy: -134.915
bonds (distance) P-C4' energy: -123.819
flat angles C4'-P-C4' energy: -145.525
flat angles P-C4'-P energy: -94.868
tors. eta vs tors. theta energy: -195.769
Dist. restrs. and SS energy: 17.935 (S_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: -2243.912778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.912778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.834466 (E_RNA)
where:
Base-Base interactions energy: -1567.178
where: short stacking energy: -624.787
Base-Backbone interact. energy: -3.018
local terms energy: -686.638392
where:
bonds (distance) C4'-P energy: -103.475
bonds (distance) P-C4' energy: -137.670
flat angles C4'-P-C4' energy: -145.494
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -195.527
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: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2204.476317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.476317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.948959 (E_RNA)
where:
Base-Base interactions energy: -1556.087
where: short stacking energy: -623.403
Base-Backbone interact. energy: -2.003
local terms energy: -666.858321
where:
bonds (distance) C4'-P energy: -107.909
bonds (distance) P-C4' energy: -126.102
flat angles C4'-P-C4' energy: -149.012
flat angles P-C4'-P energy: -93.498
tors. eta vs tors. theta energy: -190.337
Dist. restrs. and SS energy: 20.473 (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: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1941.069807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.069807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.004902 (E_RNA)
where:
Base-Base interactions energy: -1384.827
where: short stacking energy: -540.729
Base-Backbone interact. energy: -1.332
local terms energy: -587.846303
where:
bonds (distance) C4'-P energy: -118.399
bonds (distance) P-C4' energy: -109.212
flat angles C4'-P-C4' energy: -126.700
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -159.773
Dist. restrs. and SS energy: 32.935 (S_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: -1916.474457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.474457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.966945 (E_RNA)
where:
Base-Base interactions energy: -1370.277
where: short stacking energy: -559.759
Base-Backbone interact. energy: 2.480
local terms energy: -583.170586
where:
bonds (distance) C4'-P energy: -94.828
bonds (distance) P-C4' energy: -108.752
flat angles C4'-P-C4' energy: -130.632
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -165.284
Dist. restrs. and SS energy: 34.492 (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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2691.206177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.206177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.154389 (E_RNA)
where:
Base-Base interactions energy: -1919.243
where: short stacking energy: -816.250
Base-Backbone interact. energy: -2.235
local terms energy: -776.676644
where:
bonds (distance) C4'-P energy: -114.572
bonds (distance) P-C4' energy: -142.020
flat angles C4'-P-C4' energy: -161.912
flat angles P-C4'-P energy: -108.127
tors. eta vs tors. theta energy: -250.045
Dist. restrs. and SS energy: 6.948 (S_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: 74
Temperature: 0.950000
Total energy: -2614.263581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.263581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.985698 (E_RNA)
where:
Base-Base interactions energy: -1849.549
where: short stacking energy: -762.363
Base-Backbone interact. energy: -2.204
local terms energy: -770.232792
where:
bonds (distance) C4'-P energy: -124.895
bonds (distance) P-C4' energy: -137.871
flat angles C4'-P-C4' energy: -162.098
flat angles P-C4'-P energy: -115.632
tors. eta vs tors. theta energy: -229.737
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2542.497188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.497188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.204597 (E_RNA)
where:
Base-Base interactions energy: -1821.064
where: short stacking energy: -751.715
Base-Backbone interact. energy: -3.907
local terms energy: -731.234029
where:
bonds (distance) C4'-P energy: -125.177
bonds (distance) P-C4' energy: -128.749
flat angles C4'-P-C4' energy: -152.803
flat angles P-C4'-P energy: -100.297
tors. eta vs tors. theta energy: -224.209
Dist. restrs. and SS energy: 13.707 (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: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2444.039298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.039298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.674542 (E_RNA)
where:
Base-Base interactions energy: -1715.952
where: short stacking energy: -723.956
Base-Backbone interact. energy: 1.309
local terms energy: -740.031437
where:
bonds (distance) C4'-P energy: -127.400
bonds (distance) P-C4' energy: -149.627
flat angles C4'-P-C4' energy: -157.241
flat angles P-C4'-P energy: -94.252
tors. eta vs tors. theta energy: -211.511
Dist. restrs. and SS energy: 10.635 (S_DIST_RNA)
chem. 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: -2407.191411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.191411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.308748 (E_RNA)
where:
Base-Base interactions energy: -1709.460
where: short stacking energy: -698.522
Base-Backbone interact. energy: -2.131
local terms energy: -712.717720
where:
bonds (distance) C4'-P energy: -124.225
bonds (distance) P-C4' energy: -117.177
flat angles C4'-P-C4' energy: -144.066
flat angles P-C4'-P energy: -115.771
tors. eta vs tors. theta energy: -211.479
Dist. restrs. and SS energy: 17.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2275.691322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.691322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.646461 (E_RNA)
where:
Base-Base interactions energy: -1597.134
where: short stacking energy: -634.973
Base-Backbone interact. energy: -0.161
local terms energy: -698.351692
where:
bonds (distance) C4'-P energy: -136.468
bonds (distance) P-C4' energy: -140.396
flat angles C4'-P-C4' energy: -141.967
flat angles P-C4'-P energy: -95.597
tors. eta vs tors. theta energy: -183.924
Dist. restrs. and SS energy: 19.955 (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: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2249.985273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.985273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.036670 (E_RNA)
where:
Base-Base interactions energy: -1596.155
where: short stacking energy: -643.930
Base-Backbone interact. energy: -2.578
local terms energy: -662.303528
where:
bonds (distance) C4'-P energy: -136.297
bonds (distance) P-C4' energy: -102.421
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -92.560
tors. eta vs tors. theta energy: -194.263
Dist. restrs. and SS energy: 11.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2168.524664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.524664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.788614 (E_RNA)
where:
Base-Base interactions energy: -1529.335
where: short stacking energy: -625.415
Base-Backbone interact. energy: 1.310
local terms energy: -657.763188
where:
bonds (distance) C4'-P energy: -111.853
bonds (distance) P-C4' energy: -127.401
flat angles C4'-P-C4' energy: -138.975
flat angles P-C4'-P energy: -85.692
tors. eta vs tors. theta energy: -193.842
Dist. restrs. and SS energy: 17.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -2033.848905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.848905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.605067 (E_RNA)
where:
Base-Base interactions energy: -1428.633
where: short stacking energy: -583.863
Base-Backbone interact. energy: -3.056
local terms energy: -630.915523
where:
bonds (distance) C4'-P energy: -105.426
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -141.912
flat angles P-C4'-P energy: -87.711
tors. eta vs tors. theta energy: -179.985
Dist. restrs. and SS energy: 28.756 (S_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: -1822.318948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.318948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.389871 (E_RNA)
where:
Base-Base interactions energy: -1284.183
where: short stacking energy: -519.917
Base-Backbone interact. energy: 3.066
local terms energy: -575.272560
where:
bonds (distance) C4'-P energy: -118.163
bonds (distance) P-C4' energy: -112.026
flat angles C4'-P-C4' energy: -121.678
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -164.972
Dist. restrs. and SS energy: 34.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2688.483281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.483281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.224362 (E_RNA)
where:
Base-Base interactions energy: -1897.304
where: short stacking energy: -781.979
Base-Backbone interact. energy: -3.080
local terms energy: -794.839888
where:
bonds (distance) C4'-P energy: -121.211
bonds (distance) P-C4' energy: -153.530
flat angles C4'-P-C4' energy: -177.979
flat angles P-C4'-P energy: -107.672
tors. eta vs tors. theta energy: -234.447
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2591.221701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.415592 (E_RNA)
where:
Base-Base interactions energy: -1831.167
where: short stacking energy: -747.656
Base-Backbone interact. energy: -1.297
local terms energy: -766.951064
where:
bonds (distance) C4'-P energy: -140.201
bonds (distance) P-C4' energy: -139.871
flat angles C4'-P-C4' energy: -161.076
flat angles P-C4'-P energy: -103.212
tors. eta vs tors. theta energy: -222.592
Dist. restrs. and SS energy: 8.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2572.075328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.075328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.635262 (E_RNA)
where:
Base-Base interactions energy: -1828.692
where: short stacking energy: -777.705
Base-Backbone interact. energy: 1.484
local terms energy: -762.427343
where:
bonds (distance) C4'-P energy: -127.157
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -164.727
flat angles P-C4'-P energy: -99.734
tors. eta vs tors. theta energy: -233.401
Dist. restrs. and SS energy: 17.560 (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: 75
Temperature: 1.050000
Total energy: -2493.786340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.786340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.827458 (E_RNA)
where:
Base-Base interactions energy: -1774.745
where: short stacking energy: -736.832
Base-Backbone interact. energy: -2.488
local terms energy: -727.594763
where:
bonds (distance) C4'-P energy: -120.145
bonds (distance) P-C4' energy: -134.391
flat angles C4'-P-C4' energy: -152.907
flat angles P-C4'-P energy: -94.698
tors. eta vs tors. theta energy: -225.454
Dist. restrs. and SS energy: 11.041 (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: 75
Temperature: 1.100000
Total energy: -2409.901535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.901535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.641996 (E_RNA)
where:
Base-Base interactions energy: -1678.413
where: short stacking energy: -684.435
Base-Backbone interact. energy: -2.069
local terms energy: -742.159960
where:
bonds (distance) C4'-P energy: -132.144
bonds (distance) P-C4' energy: -135.886
flat angles C4'-P-C4' energy: -152.682
flat angles P-C4'-P energy: -101.213
tors. eta vs tors. theta energy: -220.235
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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2300.708201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.708201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.680547 (E_RNA)
where:
Base-Base interactions energy: -1656.450
where: short stacking energy: -659.163
Base-Backbone interact. energy: -1.627
local terms energy: -659.603812
where:
bonds (distance) C4'-P energy: -119.119
bonds (distance) P-C4' energy: -107.343
flat angles C4'-P-C4' energy: -150.445
flat angles P-C4'-P energy: -72.957
tors. eta vs tors. theta energy: -209.740
Dist. restrs. and SS energy: 16.972 (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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2259.596953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.596953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.728641 (E_RNA)
where:
Base-Base interactions energy: -1625.131
where: short stacking energy: -651.129
Base-Backbone interact. energy: 3.015
local terms energy: -657.612381
where:
bonds (distance) C4'-P energy: -114.824
bonds (distance) P-C4' energy: -123.604
flat angles C4'-P-C4' energy: -139.684
flat angles P-C4'-P energy: -92.991
tors. eta vs tors. theta energy: -186.509
Dist. restrs. and SS energy: 20.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2023.625038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.625038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.953612 (E_RNA)
where:
Base-Base interactions energy: -1411.996
where: short stacking energy: -568.133
Base-Backbone interact. energy: -5.559
local terms energy: -632.398954
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -119.183
flat angles C4'-P-C4' energy: -139.906
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -176.372
Dist. restrs. and SS energy: 26.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -2063.704616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.704616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.374598 (E_RNA)
where:
Base-Base interactions energy: -1454.656
where: short stacking energy: -572.790
Base-Backbone interact. energy: -2.369
local terms energy: -623.349859
where:
bonds (distance) C4'-P energy: -125.449
bonds (distance) P-C4' energy: -128.469
flat angles C4'-P-C4' energy: -110.465
flat angles P-C4'-P energy: -88.853
tors. eta vs tors. theta energy: -170.114
Dist. restrs. and SS energy: 16.670 (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: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1813.729797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.729797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.478501 (E_RNA)
where:
Base-Base interactions energy: -1326.135
where: short stacking energy: -517.518
Base-Backbone interact. energy: 0.081
local terms energy: -518.424659
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -95.334
flat angles C4'-P-C4' energy: -111.550
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -150.616
Dist. restrs. and SS energy: 30.749 (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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2704.520573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.520573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.159960 (E_RNA)
where:
Base-Base interactions energy: -1908.912
where: short stacking energy: -792.237
Base-Backbone interact. energy: -1.808
local terms energy: -799.439598
where:
bonds (distance) C4'-P energy: -130.065
bonds (distance) P-C4' energy: -132.344
flat angles C4'-P-C4' energy: -173.309
flat angles P-C4'-P energy: -119.901
tors. eta vs tors. theta energy: -243.820
Dist. restrs. and SS energy: 5.639 (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: 76
Temperature: 0.950000
Total energy: -2598.643348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.643348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.928583 (E_RNA)
where:
Base-Base interactions energy: -1845.318
where: short stacking energy: -762.248
Base-Backbone interact. energy: -3.500
local terms energy: -759.110089
where:
bonds (distance) C4'-P energy: -134.762
bonds (distance) P-C4' energy: -134.732
flat angles C4'-P-C4' energy: -156.665
flat angles P-C4'-P energy: -108.516
tors. eta vs tors. theta energy: -224.435
Dist. restrs. and SS energy: 9.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2586.173803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.173803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.184254 (E_RNA)
where:
Base-Base interactions energy: -1808.295
where: short stacking energy: -750.379
Base-Backbone interact. energy: -0.906
local terms energy: -791.983208
where:
bonds (distance) C4'-P energy: -141.299
bonds (distance) P-C4' energy: -136.510
flat angles C4'-P-C4' energy: -156.247
flat angles P-C4'-P energy: -119.618
tors. eta vs tors. theta energy: -238.309
Dist. restrs. and SS energy: 15.010 (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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2475.085337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.085337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.530154 (E_RNA)
where:
Base-Base interactions energy: -1748.635
where: short stacking energy: -719.049
Base-Backbone interact. energy: -1.982
local terms energy: -731.913416
where:
bonds (distance) C4'-P energy: -145.132
bonds (distance) P-C4' energy: -136.519
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -88.579
tors. eta vs tors. theta energy: -218.989
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: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2397.383299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.383299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.002524 (E_RNA)
where:
Base-Base interactions energy: -1691.356
where: short stacking energy: -707.828
Base-Backbone interact. energy: -1.584
local terms energy: -717.062062
where:
bonds (distance) C4'-P energy: -128.351
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -146.314
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -215.555
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2341.433527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.433527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.504945 (E_RNA)
where:
Base-Base interactions energy: -1682.789
where: short stacking energy: -663.317
Base-Backbone interact. energy: 0.724
local terms energy: -669.439666
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -118.120
flat angles C4'-P-C4' energy: -143.481
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -209.070
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2228.377850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.377850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.486123 (E_RNA)
where:
Base-Base interactions energy: -1601.686
where: short stacking energy: -650.717
Base-Backbone interact. energy: -0.152
local terms energy: -639.648014
where:
bonds (distance) C4'-P energy: -112.912
bonds (distance) P-C4' energy: -122.140
flat angles C4'-P-C4' energy: -132.307
flat angles P-C4'-P energy: -86.642
tors. eta vs tors. theta energy: -185.646
Dist. restrs. and SS energy: 13.108 (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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2052.571906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.571906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.128882 (E_RNA)
where:
Base-Base interactions energy: -1465.603
where: short stacking energy: -581.650
Base-Backbone interact. energy: -0.514
local terms energy: -608.012103
where:
bonds (distance) C4'-P energy: -109.255
bonds (distance) P-C4' energy: -112.683
flat angles C4'-P-C4' energy: -130.304
flat angles P-C4'-P energy: -90.750
tors. eta vs tors. theta energy: -165.020
Dist. restrs. and SS energy: 21.557 (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: 76
Temperature: 1.300000
Total energy: -2119.653180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.653180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.576286 (E_RNA)
where:
Base-Base interactions energy: -1489.482
where: short stacking energy: -614.506
Base-Backbone interact. energy: -2.318
local terms energy: -647.776193
where:
bonds (distance) C4'-P energy: -118.945
bonds (distance) P-C4' energy: -113.527
flat angles C4'-P-C4' energy: -142.911
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -193.792
Dist. restrs. and SS energy: 19.923 (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: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1810.025609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.025609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.387192 (E_RNA)
where:
Base-Base interactions energy: -1278.526
where: short stacking energy: -514.399
Base-Backbone interact. energy: 3.175
local terms energy: -562.036017
where:
bonds (distance) C4'-P energy: -106.006
bonds (distance) P-C4' energy: -101.732
flat angles C4'-P-C4' energy: -129.840
flat angles P-C4'-P energy: -77.235
tors. eta vs tors. theta energy: -147.223
Dist. restrs. and SS energy: 27.362 (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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2694.681813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.681813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.769770 (E_RNA)
where:
Base-Base interactions energy: -1905.152
where: short stacking energy: -797.157
Base-Backbone interact. energy: -0.524
local terms energy: -798.093460
where:
bonds (distance) C4'-P energy: -137.102
bonds (distance) P-C4' energy: -153.613
flat angles C4'-P-C4' energy: -159.516
flat angles P-C4'-P energy: -102.800
tors. eta vs tors. theta energy: -245.063
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: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2618.747380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.747380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.209687 (E_RNA)
where:
Base-Base interactions energy: -1860.152
where: short stacking energy: -776.553
Base-Backbone interact. energy: 0.658
local terms energy: -776.715984
where:
bonds (distance) C4'-P energy: -124.043
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -161.584
flat angles P-C4'-P energy: -116.104
tors. eta vs tors. theta energy: -230.553
Dist. restrs. and SS energy: 17.462 (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: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2587.766311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.766311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.112032 (E_RNA)
where:
Base-Base interactions energy: -1866.100
where: short stacking energy: -782.735
Base-Backbone interact. energy: 0.114
local terms energy: -729.126598
where:
bonds (distance) C4'-P energy: -109.109
bonds (distance) P-C4' energy: -123.828
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -107.430
tors. eta vs tors. theta energy: -234.896
Dist. restrs. and SS energy: 7.346 (S_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: 77
Temperature: 1.050000
Total energy: -2488.325304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.325304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.505341 (E_RNA)
where:
Base-Base interactions energy: -1755.797
where: short stacking energy: -709.766
Base-Backbone interact. energy: -3.984
local terms energy: -732.724506
where:
bonds (distance) C4'-P energy: -119.936
bonds (distance) P-C4' energy: -130.493
flat angles C4'-P-C4' energy: -162.148
flat angles P-C4'-P energy: -95.692
tors. eta vs tors. theta energy: -224.456
Dist. restrs. and SS energy: 4.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2397.730346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.730346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.134447 (E_RNA)
where:
Base-Base interactions energy: -1702.270
where: short stacking energy: -715.619
Base-Backbone interact. energy: -2.218
local terms energy: -706.647057
where:
bonds (distance) C4'-P energy: -122.342
bonds (distance) P-C4' energy: -136.342
flat angles C4'-P-C4' energy: -132.162
flat angles P-C4'-P energy: -93.660
tors. eta vs tors. theta energy: -222.141
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2324.339311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.339311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.728743 (E_RNA)
where:
Base-Base interactions energy: -1642.959
where: short stacking energy: -662.861
Base-Backbone interact. energy: 0.289
local terms energy: -692.058417
where:
bonds (distance) C4'-P energy: -115.578
bonds (distance) P-C4' energy: -130.043
flat angles C4'-P-C4' energy: -131.503
flat angles P-C4'-P energy: -111.941
tors. eta vs tors. theta energy: -202.993
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: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2274.868311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.868311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.532151 (E_RNA)
where:
Base-Base interactions energy: -1607.033
where: short stacking energy: -682.309
Base-Backbone interact. energy: 0.137
local terms energy: -687.636244
where:
bonds (distance) C4'-P energy: -133.818
bonds (distance) P-C4' energy: -116.265
flat angles C4'-P-C4' energy: -155.101
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -200.662
Dist. restrs. and SS energy: 19.664 (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: 77
Temperature: 1.250000
Total energy: -2179.456862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.456862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.687285 (E_RNA)
where:
Base-Base interactions energy: -1545.715
where: short stacking energy: -629.418
Base-Backbone interact. energy: 0.344
local terms energy: -650.316776
where:
bonds (distance) C4'-P energy: -123.005
bonds (distance) P-C4' energy: -123.089
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: -189.291
Dist. restrs. and SS energy: 16.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -2055.184846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.184846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.200394 (E_RNA)
where:
Base-Base interactions energy: -1473.178
where: short stacking energy: -592.322
Base-Backbone interact. energy: -1.903
local terms energy: -603.119773
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -111.636
flat angles C4'-P-C4' energy: -142.034
flat angles P-C4'-P energy: -86.654
tors. eta vs tors. theta energy: -174.535
Dist. restrs. and SS energy: 23.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1763.153871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.153871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.615949 (E_RNA)
where:
Base-Base interactions energy: -1258.276
where: short stacking energy: -495.444
Base-Backbone interact. energy: -0.341
local terms energy: -533.999086
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -111.014
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -148.435
Dist. restrs. and SS energy: 29.462 (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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2678.321927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.321927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.057161 (E_RNA)
where:
Base-Base interactions energy: -1910.141
where: short stacking energy: -798.390
Base-Backbone interact. energy: -2.912
local terms energy: -774.004233
where:
bonds (distance) C4'-P energy: -125.071
bonds (distance) P-C4' energy: -137.066
flat angles C4'-P-C4' energy: -154.541
flat angles P-C4'-P energy: -121.782
tors. eta vs tors. theta energy: -235.544
Dist. restrs. and SS energy: 8.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2625.282506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.282506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.977123 (E_RNA)
where:
Base-Base interactions energy: -1866.066
where: short stacking energy: -773.349
Base-Backbone interact. energy: -0.598
local terms energy: -774.313325
where:
bonds (distance) C4'-P energy: -125.979
bonds (distance) P-C4' energy: -133.550
flat angles C4'-P-C4' energy: -153.220
flat angles P-C4'-P energy: -116.464
tors. eta vs tors. theta energy: -245.101
Dist. restrs. and SS energy: 15.695 (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: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2525.139880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.139880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.649272 (E_RNA)
where:
Base-Base interactions energy: -1793.147
where: short stacking energy: -731.215
Base-Backbone interact. energy: -1.664
local terms energy: -736.838161
where:
bonds (distance) C4'-P energy: -142.748
bonds (distance) P-C4' energy: -132.182
flat angles C4'-P-C4' energy: -147.405
flat angles P-C4'-P energy: -102.657
tors. eta vs tors. theta energy: -211.847
Dist. restrs. and SS energy: 6.509 (S_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: 78
Temperature: 1.050000
Total energy: -2508.703912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.703912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.882306 (E_RNA)
where:
Base-Base interactions energy: -1788.140
where: short stacking energy: -718.319
Base-Backbone interact. energy: -2.427
local terms energy: -725.314880
where:
bonds (distance) C4'-P energy: -127.276
bonds (distance) P-C4' energy: -127.276
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -94.304
tors. eta vs tors. theta energy: -226.127
Dist. restrs. and SS energy: 7.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2395.936090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.936090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.750521 (E_RNA)
where:
Base-Base interactions energy: -1719.176
where: short stacking energy: -712.200
Base-Backbone interact. energy: -1.058
local terms energy: -688.516313
where:
bonds (distance) C4'-P energy: -112.796
bonds (distance) P-C4' energy: -122.034
flat angles C4'-P-C4' energy: -150.427
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -206.273
Dist. restrs. and SS energy: 12.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2362.603453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.603453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.726064 (E_RNA)
where:
Base-Base interactions energy: -1679.462
where: short stacking energy: -677.577
Base-Backbone interact. energy: 3.211
local terms energy: -694.475179
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -123.634
flat angles C4'-P-C4' energy: -150.306
flat angles P-C4'-P energy: -92.943
tors. eta vs tors. theta energy: -208.454
Dist. restrs. and SS energy: 8.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2254.481263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.481263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.993515 (E_RNA)
where:
Base-Base interactions energy: -1619.861
where: short stacking energy: -615.800
Base-Backbone interact. energy: 4.337
local terms energy: -654.468861
where:
bonds (distance) C4'-P energy: -114.754
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -143.518
flat angles P-C4'-P energy: -85.908
tors. eta vs tors. theta energy: -188.401
Dist. restrs. and SS energy: 15.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2183.884234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.884234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.211763 (E_RNA)
where:
Base-Base interactions energy: -1544.954
where: short stacking energy: -633.237
Base-Backbone interact. energy: -1.131
local terms energy: -670.127468
where:
bonds (distance) C4'-P energy: -116.491
bonds (distance) P-C4' energy: -124.886
flat angles C4'-P-C4' energy: -151.033
flat angles P-C4'-P energy: -86.285
tors. eta vs tors. theta energy: -191.433
Dist. restrs. and SS energy: 32.328 (S_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: 78
Temperature: 1.300000
Total energy: -2081.541927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.541927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.794193 (E_RNA)
where:
Base-Base interactions energy: -1479.863
where: short stacking energy: -592.414
Base-Backbone interact. energy: -1.206
local terms energy: -620.725417
where:
bonds (distance) C4'-P energy: -113.487
bonds (distance) P-C4' energy: -118.286
flat angles C4'-P-C4' energy: -129.698
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -177.894
Dist. restrs. and SS energy: 20.252 (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: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1819.073630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.073630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.987963 (E_RNA)
where:
Base-Base interactions energy: -1273.548
where: short stacking energy: -511.129
Base-Backbone interact. energy: 0.738
local terms energy: -573.177852
where:
bonds (distance) C4'-P energy: -114.235
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -124.590
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -155.525
Dist. restrs. and SS energy: 26.914 (S_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: 79
Temperature: 0.900000
Total energy: -2676.925643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.925643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.438675 (E_RNA)
where:
Base-Base interactions energy: -1884.541
where: short stacking energy: -779.961
Base-Backbone interact. energy: -3.859
local terms energy: -796.038638
where:
bonds (distance) C4'-P energy: -142.458
bonds (distance) P-C4' energy: -141.181
flat angles C4'-P-C4' energy: -167.651
flat angles P-C4'-P energy: -110.679
tors. eta vs tors. theta energy: -234.069
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: 79
Temperature: 0.950000
Total energy: -2612.172993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.172993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.201526 (E_RNA)
where:
Base-Base interactions energy: -1836.919
where: short stacking energy: -767.277
Base-Backbone interact. energy: -2.096
local terms energy: -788.185875
where:
bonds (distance) C4'-P energy: -134.075
bonds (distance) P-C4' energy: -131.862
flat angles C4'-P-C4' energy: -164.305
flat angles P-C4'-P energy: -122.959
tors. eta vs tors. theta energy: -234.986
Dist. restrs. and SS energy: 15.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2551.029988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.029988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.364729 (E_RNA)
where:
Base-Base interactions energy: -1805.752
where: short stacking energy: -755.300
Base-Backbone interact. energy: -1.087
local terms energy: -748.525662
where:
bonds (distance) C4'-P energy: -149.199
bonds (distance) P-C4' energy: -118.607
flat angles C4'-P-C4' energy: -162.979
flat angles P-C4'-P energy: -93.910
tors. eta vs tors. theta energy: -223.830
Dist. restrs. and SS energy: 4.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2498.217787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.217787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.103665 (E_RNA)
where:
Base-Base interactions energy: -1766.437
where: short stacking energy: -720.246
Base-Backbone interact. energy: -1.285
local terms energy: -738.381421
where:
bonds (distance) C4'-P energy: -129.377
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -161.397
flat angles P-C4'-P energy: -102.841
tors. eta vs tors. theta energy: -211.297
Dist. restrs. and SS energy: 7.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2406.968887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.968887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.559920 (E_RNA)
where:
Base-Base interactions energy: -1693.172
where: short stacking energy: -691.192
Base-Backbone interact. energy: 0.065
local terms energy: -732.452431
where:
bonds (distance) C4'-P energy: -138.174
bonds (distance) P-C4' energy: -128.861
flat angles C4'-P-C4' energy: -144.526
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -219.203
Dist. restrs. and SS energy: 18.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2396.657638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.657638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.707572 (E_RNA)
where:
Base-Base interactions energy: -1709.417
where: short stacking energy: -702.566
Base-Backbone interact. energy: -2.554
local terms energy: -692.737149
where:
bonds (distance) C4'-P energy: -113.209
bonds (distance) P-C4' energy: -109.678
flat angles C4'-P-C4' energy: -157.053
flat angles P-C4'-P energy: -94.351
tors. eta vs tors. theta energy: -218.446
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: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2195.682586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.002310 (E_RNA)
where:
Base-Base interactions energy: -1547.147
where: short stacking energy: -596.643
Base-Backbone interact. energy: -1.138
local terms energy: -663.717265
where:
bonds (distance) C4'-P energy: -125.221
bonds (distance) P-C4' energy: -120.567
flat angles C4'-P-C4' energy: -139.491
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -195.143
Dist. restrs. and SS energy: 16.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2248.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.677614 (E_RNA)
where:
Base-Base interactions energy: -1580.872
where: short stacking energy: -653.383
Base-Backbone interact. energy: -1.060
local terms energy: -679.745812
where:
bonds (distance) C4'-P energy: -113.278
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -141.350
flat angles P-C4'-P energy: -90.655
tors. eta vs tors. theta energy: -216.244
Dist. restrs. and SS energy: 13.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -2044.577822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.577822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.848049 (E_RNA)
where:
Base-Base interactions energy: -1463.257
where: short stacking energy: -570.334
Base-Backbone interact. energy: 3.658
local terms energy: -615.249258
where:
bonds (distance) C4'-P energy: -113.091
bonds (distance) P-C4' energy: -106.324
flat angles C4'-P-C4' energy: -132.456
flat angles P-C4'-P energy: -90.609
tors. eta vs tors. theta energy: -172.769
Dist. restrs. and SS energy: 30.270 (S_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: -1781.408971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.408971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.707972 (E_RNA)
where:
Base-Base interactions energy: -1241.515
where: short stacking energy: -508.791
Base-Backbone interact. energy: 0.360
local terms energy: -568.553091
where:
bonds (distance) C4'-P energy: -111.469
bonds (distance) P-C4' energy: -125.340
flat angles C4'-P-C4' energy: -115.368
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -160.917
Dist. restrs. and SS energy: 28.299 (S_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: 80
Temperature: 0.900000
Total energy: -2680.686469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.686469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.128623 (E_RNA)
where:
Base-Base interactions energy: -1903.773
where: short stacking energy: -780.153
Base-Backbone interact. energy: -1.632
local terms energy: -781.723845
where:
bonds (distance) C4'-P energy: -134.517
bonds (distance) P-C4' energy: -148.360
flat angles C4'-P-C4' energy: -157.339
flat angles P-C4'-P energy: -103.369
tors. eta vs tors. theta energy: -238.138
Dist. restrs. and SS energy: 6.442 (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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2629.255111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.255111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.342894 (E_RNA)
where:
Base-Base interactions energy: -1867.913
where: short stacking energy: -782.147
Base-Backbone interact. energy: -2.185
local terms energy: -778.244980
where:
bonds (distance) C4'-P energy: -141.979
bonds (distance) P-C4' energy: -132.880
flat angles C4'-P-C4' energy: -160.578
flat angles P-C4'-P energy: -109.608
tors. eta vs tors. theta energy: -233.200
Dist. restrs. and SS energy: 19.088 (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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2528.187094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.187094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.508569 (E_RNA)
where:
Base-Base interactions energy: -1812.085
where: short stacking energy: -726.070
Base-Backbone interact. energy: -4.830
local terms energy: -720.594192
where:
bonds (distance) C4'-P energy: -129.198
bonds (distance) P-C4' energy: -130.802
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -215.310
Dist. restrs. and SS energy: 9.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2461.946855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.946855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.537322 (E_RNA)
where:
Base-Base interactions energy: -1735.072
where: short stacking energy: -707.376
Base-Backbone interact. energy: -3.670
local terms energy: -727.795457
where:
bonds (distance) C4'-P energy: -127.215
bonds (distance) P-C4' energy: -139.009
flat angles C4'-P-C4' energy: -153.899
flat angles P-C4'-P energy: -100.376
tors. eta vs tors. theta energy: -207.297
Dist. restrs. and SS energy: 4.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2427.007885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.007885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.899585 (E_RNA)
where:
Base-Base interactions energy: -1715.872
where: short stacking energy: -699.511
Base-Backbone interact. energy: 1.589
local terms energy: -732.616934
where:
bonds (distance) C4'-P energy: -125.403
bonds (distance) P-C4' energy: -141.812
flat angles C4'-P-C4' energy: -140.672
flat angles P-C4'-P energy: -99.412
tors. eta vs tors. theta energy: -225.319
Dist. restrs. and SS energy: 19.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2331.555689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.555689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.320256 (E_RNA)
where:
Base-Base interactions energy: -1648.776
where: short stacking energy: -668.575
Base-Backbone interact. energy: -2.057
local terms energy: -687.487489
where:
bonds (distance) C4'-P energy: -119.456
bonds (distance) P-C4' energy: -127.806
flat angles C4'-P-C4' energy: -145.011
flat angles P-C4'-P energy: -88.024
tors. eta vs tors. theta energy: -207.190
Dist. restrs. and SS energy: 6.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2298.849544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.849544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.052285 (E_RNA)
where:
Base-Base interactions energy: -1636.468
where: short stacking energy: -678.642
Base-Backbone interact. energy: 3.265
local terms energy: -688.849508
where:
bonds (distance) C4'-P energy: -110.140
bonds (distance) P-C4' energy: -127.105
flat angles C4'-P-C4' energy: -142.386
flat angles P-C4'-P energy: -90.673
tors. eta vs tors. theta energy: -218.545
Dist. restrs. and SS energy: 23.203 (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: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2169.149991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.149991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.027233 (E_RNA)
where:
Base-Base interactions energy: -1554.054
where: short stacking energy: -615.525
Base-Backbone interact. energy: 2.246
local terms energy: -636.218779
where:
bonds (distance) C4'-P energy: -124.411
bonds (distance) P-C4' energy: -114.304
flat angles C4'-P-C4' energy: -130.547
flat angles P-C4'-P energy: -93.322
tors. eta vs tors. theta energy: -173.634
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -2027.142762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.142762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.911689 (E_RNA)
where:
Base-Base interactions energy: -1470.283
where: short stacking energy: -577.085
Base-Backbone interact. energy: 1.415
local terms energy: -581.043829
where:
bonds (distance) C4'-P energy: -103.737
bonds (distance) P-C4' energy: -101.811
flat angles C4'-P-C4' energy: -133.276
flat angles P-C4'-P energy: -77.273
tors. eta vs tors. theta energy: -164.946
Dist. restrs. and SS energy: 22.769 (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: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1766.777548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.777548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.259622 (E_RNA)
where:
Base-Base interactions energy: -1236.443
where: short stacking energy: -475.174
Base-Backbone interact. energy: -1.419
local terms energy: -567.397343
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -102.779
flat angles C4'-P-C4' energy: -130.873
flat angles P-C4'-P energy: -91.877
tors. eta vs tors. theta energy: -141.152
Dist. restrs. and SS energy: 38.482 (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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2698.404267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.404267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.920061 (E_RNA)
where:
Base-Base interactions energy: -1898.460
where: short stacking energy: -800.042
Base-Backbone interact. energy: -4.845
local terms energy: -803.615389
where:
bonds (distance) C4'-P energy: -126.721
bonds (distance) P-C4' energy: -144.609
flat angles C4'-P-C4' energy: -159.841
flat angles P-C4'-P energy: -124.380
tors. eta vs tors. theta energy: -248.065
Dist. restrs. and SS energy: 8.516 (S_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: 81
Temperature: 0.950000
Total energy: -2623.739158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.739158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.049447 (E_RNA)
where:
Base-Base interactions energy: -1843.663
where: short stacking energy: -769.147
Base-Backbone interact. energy: -1.249
local terms energy: -792.136762
where:
bonds (distance) C4'-P energy: -142.300
bonds (distance) P-C4' energy: -137.819
flat angles C4'-P-C4' energy: -163.520
flat angles P-C4'-P energy: -109.877
tors. eta vs tors. theta energy: -238.621
Dist. restrs. and SS energy: 13.310 (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: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2565.854640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.854640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.106786 (E_RNA)
where:
Base-Base interactions energy: -1830.188
where: short stacking energy: -748.883
Base-Backbone interact. energy: 0.857
local terms energy: -741.775394
where:
bonds (distance) C4'-P energy: -131.582
bonds (distance) P-C4' energy: -146.303
flat angles C4'-P-C4' energy: -139.146
flat angles P-C4'-P energy: -95.100
tors. eta vs tors. theta energy: -229.644
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2472.434720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.434720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.852692 (E_RNA)
where:
Base-Base interactions energy: -1763.389
where: short stacking energy: -729.329
Base-Backbone interact. energy: -2.890
local terms energy: -726.573026
where:
bonds (distance) C4'-P energy: -121.808
bonds (distance) P-C4' energy: -111.745
flat angles C4'-P-C4' energy: -161.345
flat angles P-C4'-P energy: -104.605
tors. eta vs tors. theta energy: -227.070
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: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2435.975755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.975755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.150164 (E_RNA)
where:
Base-Base interactions energy: -1727.024
where: short stacking energy: -713.500
Base-Backbone interact. energy: -0.649
local terms energy: -716.476975
where:
bonds (distance) C4'-P energy: -119.496
bonds (distance) P-C4' energy: -141.831
flat angles C4'-P-C4' energy: -151.959
flat angles P-C4'-P energy: -90.404
tors. eta vs tors. theta energy: -212.787
Dist. restrs. and SS energy: 8.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2383.152446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.152446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.211252 (E_RNA)
where:
Base-Base interactions energy: -1720.677
where: short stacking energy: -700.064
Base-Backbone interact. energy: -2.847
local terms energy: -669.686343
where:
bonds (distance) C4'-P energy: -124.975
bonds (distance) P-C4' energy: -111.771
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -96.500
tors. eta vs tors. theta energy: -216.504
Dist. restrs. and SS energy: 10.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2253.416603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.416603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.631396 (E_RNA)
where:
Base-Base interactions energy: -1601.106
where: short stacking energy: -649.147
Base-Backbone interact. energy: 1.790
local terms energy: -668.315518
where:
bonds (distance) C4'-P energy: -101.414
bonds (distance) P-C4' energy: -116.849
flat angles C4'-P-C4' energy: -139.403
flat angles P-C4'-P energy: -112.133
tors. eta vs tors. theta energy: -198.517
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: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2165.333924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.333924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.137754 (E_RNA)
where:
Base-Base interactions energy: -1557.066
where: short stacking energy: -624.284
Base-Backbone interact. energy: 1.035
local terms energy: -627.106271
where:
bonds (distance) C4'-P energy: -118.847
bonds (distance) P-C4' energy: -114.188
flat angles C4'-P-C4' energy: -139.439
flat angles P-C4'-P energy: -64.969
tors. eta vs tors. theta energy: -189.664
Dist. restrs. and SS energy: 17.804 (S_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: 81
Temperature: 1.300000
Total energy: -2015.430109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.430109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.514661 (E_RNA)
where:
Base-Base interactions energy: -1441.840
where: short stacking energy: -602.004
Base-Backbone interact. energy: 0.173
local terms energy: -588.846934
where:
bonds (distance) C4'-P energy: -102.317
bonds (distance) P-C4' energy: -116.169
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -76.504
tors. eta vs tors. theta energy: -172.152
Dist. restrs. and SS energy: 15.085 (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: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1797.562075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.562075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.885551 (E_RNA)
where:
Base-Base interactions energy: -1262.893
where: short stacking energy: -523.719
Base-Backbone interact. energy: -2.383
local terms energy: -567.610416
where:
bonds (distance) C4'-P energy: -91.464
bonds (distance) P-C4' energy: -112.837
flat angles C4'-P-C4' energy: -118.837
flat angles P-C4'-P energy: -85.515
tors. eta vs tors. theta energy: -158.957
Dist. restrs. and SS energy: 35.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2657.790545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.790545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.697928 (E_RNA)
where:
Base-Base interactions energy: -1883.664
where: short stacking energy: -768.306
Base-Backbone interact. energy: -0.964
local terms energy: -788.070388
where:
bonds (distance) C4'-P energy: -139.191
bonds (distance) P-C4' energy: -140.501
flat angles C4'-P-C4' energy: -156.531
flat angles P-C4'-P energy: -117.172
tors. eta vs tors. theta energy: -234.676
Dist. restrs. and SS energy: 14.907 (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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2649.647844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.647844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.851505 (E_RNA)
where:
Base-Base interactions energy: -1890.797
where: short stacking energy: -747.799
Base-Backbone interact. energy: -1.264
local terms energy: -764.790166
where:
bonds (distance) C4'-P energy: -137.346
bonds (distance) P-C4' energy: -133.512
flat angles C4'-P-C4' energy: -157.539
flat angles P-C4'-P energy: -101.915
tors. eta vs tors. theta energy: -234.477
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: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2544.729711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.330503 (E_RNA)
where:
Base-Base interactions energy: -1787.444
where: short stacking energy: -746.080
Base-Backbone interact. energy: -1.001
local terms energy: -765.885501
where:
bonds (distance) C4'-P energy: -144.600
bonds (distance) P-C4' energy: -125.622
flat angles C4'-P-C4' energy: -156.824
flat angles P-C4'-P energy: -101.860
tors. eta vs tors. theta energy: -236.979
Dist. restrs. and SS energy: 9.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2439.603764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.603764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.526803 (E_RNA)
where:
Base-Base interactions energy: -1740.448
where: short stacking energy: -698.998
Base-Backbone interact. energy: 3.968
local terms energy: -720.047256
where:
bonds (distance) C4'-P energy: -131.244
bonds (distance) P-C4' energy: -125.399
flat angles C4'-P-C4' energy: -143.381
flat angles P-C4'-P energy: -101.245
tors. eta vs tors. theta energy: -218.778
Dist. restrs. and SS energy: 16.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2417.402137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.402137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.577723 (E_RNA)
where:
Base-Base interactions energy: -1721.055
where: short stacking energy: -709.632
Base-Backbone interact. energy: -1.546
local terms energy: -701.975858
where:
bonds (distance) C4'-P energy: -134.064
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -150.679
flat angles P-C4'-P energy: -93.388
tors. eta vs tors. theta energy: -208.252
Dist. restrs. and SS energy: 7.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2351.616206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.616206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.226266 (E_RNA)
where:
Base-Base interactions energy: -1686.741
where: short stacking energy: -682.306
Base-Backbone interact. energy: -4.640
local terms energy: -668.845076
where:
bonds (distance) C4'-P energy: -123.107
bonds (distance) P-C4' energy: -113.652
flat angles C4'-P-C4' energy: -143.498
flat angles P-C4'-P energy: -77.474
tors. eta vs tors. theta energy: -211.114
Dist. restrs. and SS energy: 8.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2239.277550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.277550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.132762 (E_RNA)
where:
Base-Base interactions energy: -1613.620
where: short stacking energy: -648.482
Base-Backbone interact. energy: -6.467
local terms energy: -631.045456
where:
bonds (distance) C4'-P energy: -112.547
bonds (distance) P-C4' energy: -106.393
flat angles C4'-P-C4' energy: -140.713
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: -201.124
Dist. restrs. and SS energy: 11.855 (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: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2211.036653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.036653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.856393 (E_RNA)
where:
Base-Base interactions energy: -1594.632
where: short stacking energy: -627.959
Base-Backbone interact. energy: 0.385
local terms energy: -633.610262
where:
bonds (distance) C4'-P energy: -117.438
bonds (distance) P-C4' energy: -122.922
flat angles C4'-P-C4' energy: -118.931
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -195.659
Dist. restrs. and SS energy: 16.820 (S_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: 82
Temperature: 1.300000
Total energy: -2007.330171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.330171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.302535 (E_RNA)
where:
Base-Base interactions energy: -1386.185
where: short stacking energy: -574.237
Base-Backbone interact. energy: 0.008
local terms energy: -646.126403
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -131.276
flat angles C4'-P-C4' energy: -140.626
flat angles P-C4'-P energy: -80.286
tors. eta vs tors. theta energy: -182.942
Dist. restrs. and SS energy: 24.972 (S_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: -1769.533537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.533537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.348099 (E_RNA)
where:
Base-Base interactions energy: -1242.798
where: short stacking energy: -504.092
Base-Backbone interact. energy: -1.073
local terms energy: -557.476376
where:
bonds (distance) C4'-P energy: -109.004
bonds (distance) P-C4' energy: -92.362
flat angles C4'-P-C4' energy: -121.148
flat angles P-C4'-P energy: -83.288
tors. eta vs tors. theta energy: -151.675
Dist. restrs. and SS energy: 31.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2669.896375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.896375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.608287 (E_RNA)
where:
Base-Base interactions energy: -1877.754
where: short stacking energy: -763.737
Base-Backbone interact. energy: -3.404
local terms energy: -804.449843
where:
bonds (distance) C4'-P energy: -134.762
bonds (distance) P-C4' energy: -141.874
flat angles C4'-P-C4' energy: -171.535
flat angles P-C4'-P energy: -117.968
tors. eta vs tors. theta energy: -238.312
Dist. restrs. and SS energy: 15.712 (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: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2673.839617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.839617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.568506 (E_RNA)
where:
Base-Base interactions energy: -1887.341
where: short stacking energy: -784.437
Base-Backbone interact. energy: -3.354
local terms energy: -793.873222
where:
bonds (distance) C4'-P energy: -138.012
bonds (distance) P-C4' energy: -126.196
flat angles C4'-P-C4' energy: -164.172
flat angles P-C4'-P energy: -123.229
tors. eta vs tors. theta energy: -242.264
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: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2579.569167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.569167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.248217 (E_RNA)
where:
Base-Base interactions energy: -1834.824
where: short stacking energy: -756.259
Base-Backbone interact. energy: -1.144
local terms energy: -750.279494
where:
bonds (distance) C4'-P energy: -133.686
bonds (distance) P-C4' energy: -140.108
flat angles C4'-P-C4' energy: -146.876
flat angles P-C4'-P energy: -106.745
tors. eta vs tors. theta energy: -222.865
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2484.613578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.613578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.265786 (E_RNA)
where:
Base-Base interactions energy: -1769.775
where: short stacking energy: -707.402
Base-Backbone interact. energy: 0.549
local terms energy: -724.040280
where:
bonds (distance) C4'-P energy: -130.367
bonds (distance) P-C4' energy: -132.905
flat angles C4'-P-C4' energy: -148.176
flat angles P-C4'-P energy: -87.330
tors. eta vs tors. theta energy: -225.262
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: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2407.266557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.266557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.193980 (E_RNA)
where:
Base-Base interactions energy: -1710.803
where: short stacking energy: -702.468
Base-Backbone interact. energy: 0.090
local terms energy: -711.481423
where:
bonds (distance) C4'-P energy: -116.594
bonds (distance) P-C4' energy: -134.833
flat angles C4'-P-C4' energy: -152.921
flat angles P-C4'-P energy: -91.321
tors. eta vs tors. theta energy: -215.813
Dist. restrs. and SS energy: 14.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2368.432894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.432894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.614193 (E_RNA)
where:
Base-Base interactions energy: -1692.686
where: short stacking energy: -689.031
Base-Backbone interact. energy: 0.135
local terms energy: -685.063579
where:
bonds (distance) C4'-P energy: -119.006
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -149.831
flat angles P-C4'-P energy: -96.784
tors. eta vs tors. theta energy: -215.881
Dist. restrs. and SS energy: 9.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2312.620999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.620999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.276271 (E_RNA)
where:
Base-Base interactions energy: -1674.377
where: short stacking energy: -677.139
Base-Backbone interact. energy: 7.504
local terms energy: -657.403299
where:
bonds (distance) C4'-P energy: -111.497
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -147.081
flat angles P-C4'-P energy: -80.250
tors. eta vs tors. theta energy: -203.128
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: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2188.136408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.136408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.275107 (E_RNA)
where:
Base-Base interactions energy: -1567.457
where: short stacking energy: -621.813
Base-Backbone interact. energy: -5.197
local terms energy: -630.620970
where:
bonds (distance) C4'-P energy: -97.860
bonds (distance) P-C4' energy: -124.588
flat angles C4'-P-C4' energy: -133.456
flat angles P-C4'-P energy: -81.742
tors. eta vs tors. theta energy: -192.976
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: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1998.632107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.632107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.644242 (E_RNA)
where:
Base-Base interactions energy: -1440.019
where: short stacking energy: -585.036
Base-Backbone interact. energy: 2.935
local terms energy: -581.560796
where:
bonds (distance) C4'-P energy: -122.792
bonds (distance) P-C4' energy: -99.793
flat angles C4'-P-C4' energy: -126.301
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -159.309
Dist. restrs. and SS energy: 20.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1754.667742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.667742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.227080 (E_RNA)
where:
Base-Base interactions energy: -1212.462
where: short stacking energy: -487.740
Base-Backbone interact. energy: 1.861
local terms energy: -576.626286
where:
bonds (distance) C4'-P energy: -119.041
bonds (distance) P-C4' energy: -126.153
flat angles C4'-P-C4' energy: -139.220
flat angles P-C4'-P energy: -61.192
tors. eta vs tors. theta energy: -131.020
Dist. restrs. and SS energy: 32.559 (S_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: 84
Temperature: 0.900000
Total energy: -2704.180881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.180881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.116857 (E_RNA)
where:
Base-Base interactions energy: -1901.042
where: short stacking energy: -787.809
Base-Backbone interact. energy: -3.581
local terms energy: -811.493680
where:
bonds (distance) C4'-P energy: -139.681
bonds (distance) P-C4' energy: -150.958
flat angles C4'-P-C4' energy: -164.661
flat angles P-C4'-P energy: -114.272
tors. eta vs tors. theta energy: -241.921
Dist. restrs. and SS energy: 11.936 (S_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: -2669.248107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.248107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.406225 (E_RNA)
where:
Base-Base interactions energy: -1896.899
where: short stacking energy: -788.158
Base-Backbone interact. energy: 0.019
local terms energy: -786.525852
where:
bonds (distance) C4'-P energy: -136.878
bonds (distance) P-C4' energy: -138.882
flat angles C4'-P-C4' energy: -166.081
flat angles P-C4'-P energy: -110.540
tors. eta vs tors. theta energy: -234.145
Dist. restrs. and SS energy: 14.158 (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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2538.054310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.054310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.994530 (E_RNA)
where:
Base-Base interactions energy: -1801.756
where: short stacking energy: -724.951
Base-Backbone interact. energy: 0.662
local terms energy: -744.900382
where:
bonds (distance) C4'-P energy: -131.718
bonds (distance) P-C4' energy: -131.767
flat angles C4'-P-C4' energy: -156.602
flat angles P-C4'-P energy: -99.157
tors. eta vs tors. theta energy: -225.657
Dist. restrs. and SS energy: 7.940 (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: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2492.741486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.741486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.308724 (E_RNA)
where:
Base-Base interactions energy: -1756.839
where: short stacking energy: -723.170
Base-Backbone interact. energy: 3.118
local terms energy: -755.587247
where:
bonds (distance) C4'-P energy: -146.515
bonds (distance) P-C4' energy: -133.556
flat angles C4'-P-C4' energy: -143.507
flat angles P-C4'-P energy: -106.731
tors. eta vs tors. theta energy: -225.278
Dist. restrs. and SS energy: 16.567 (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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2401.252386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.252386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.268038 (E_RNA)
where:
Base-Base interactions energy: -1704.186
where: short stacking energy: -716.052
Base-Backbone interact. energy: -0.184
local terms energy: -707.898214
where:
bonds (distance) C4'-P energy: -112.529
bonds (distance) P-C4' energy: -114.091
flat angles C4'-P-C4' energy: -155.425
flat angles P-C4'-P energy: -110.123
tors. eta vs tors. theta energy: -215.729
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2389.377951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.377951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.337548 (E_RNA)
where:
Base-Base interactions energy: -1712.456
where: short stacking energy: -700.816
Base-Backbone interact. energy: -3.357
local terms energy: -692.523719
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -114.080
flat angles C4'-P-C4' energy: -143.331
flat angles P-C4'-P energy: -96.408
tors. eta vs tors. theta energy: -224.548
Dist. restrs. and SS energy: 18.960 (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: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2302.829121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.829121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.568459 (E_RNA)
where:
Base-Base interactions energy: -1639.466
where: short stacking energy: -669.440
Base-Backbone interact. energy: -3.719
local terms energy: -674.382867
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -133.130
flat angles C4'-P-C4' energy: -148.164
flat angles P-C4'-P energy: -93.927
tors. eta vs tors. theta energy: -210.697
Dist. restrs. and SS energy: 14.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2211.179366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.179366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.123365 (E_RNA)
where:
Base-Base interactions energy: -1605.725
where: short stacking energy: -649.793
Base-Backbone interact. energy: -1.370
local terms energy: -625.028418
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -112.917
flat angles C4'-P-C4' energy: -135.231
flat angles P-C4'-P energy: -71.609
tors. eta vs tors. theta energy: -198.638
Dist. restrs. and SS energy: 20.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1998.873972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.873972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.097914 (E_RNA)
where:
Base-Base interactions energy: -1439.806
where: short stacking energy: -586.788
Base-Backbone interact. energy: -2.529
local terms energy: -576.762376
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -112.749
flat angles C4'-P-C4' energy: -114.332
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -168.862
Dist. restrs. and SS energy: 20.224 (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: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1759.159501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.159501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.240326 (E_RNA)
where:
Base-Base interactions energy: -1232.079
where: short stacking energy: -502.910
Base-Backbone interact. energy: 6.617
local terms energy: -571.778705
where:
bonds (distance) C4'-P energy: -102.688
bonds (distance) P-C4' energy: -125.317
flat angles C4'-P-C4' energy: -115.321
flat angles P-C4'-P energy: -90.383
tors. eta vs tors. theta energy: -138.069
Dist. restrs. and SS energy: 38.081 (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: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2713.556006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.556006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.641787 (E_RNA)
where:
Base-Base interactions energy: -1911.772
where: short stacking energy: -789.134
Base-Backbone interact. energy: -1.637
local terms energy: -812.232735
where:
bonds (distance) C4'-P energy: -151.161
bonds (distance) P-C4' energy: -140.608
flat angles C4'-P-C4' energy: -164.647
flat angles P-C4'-P energy: -113.767
tors. eta vs tors. theta energy: -242.051
Dist. restrs. and SS energy: 12.086 (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: 85
Temperature: 0.950000
Total energy: -2637.133551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.133551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.474543 (E_RNA)
where:
Base-Base interactions energy: -1879.019
where: short stacking energy: -779.694
Base-Backbone interact. energy: -3.505
local terms energy: -768.950242
where:
bonds (distance) C4'-P energy: -114.982
bonds (distance) P-C4' energy: -132.565
flat angles C4'-P-C4' energy: -172.054
flat angles P-C4'-P energy: -116.709
tors. eta vs tors. theta energy: -232.640
Dist. restrs. and SS energy: 14.341 (S_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: 85
Temperature: 1.000000
Total energy: -2555.362544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.362544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.789820 (E_RNA)
where:
Base-Base interactions energy: -1843.238
where: short stacking energy: -748.630
Base-Backbone interact. energy: 1.509
local terms energy: -721.060448
where:
bonds (distance) C4'-P energy: -135.550
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -134.430
flat angles P-C4'-P energy: -102.002
tors. eta vs tors. theta energy: -217.278
Dist. restrs. and SS energy: 7.427 (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: 85
Temperature: 1.050000
Total energy: -2500.553553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.553553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.298565 (E_RNA)
where:
Base-Base interactions energy: -1752.978
where: short stacking energy: -725.900
Base-Backbone interact. energy: -2.178
local terms energy: -753.142122
where:
bonds (distance) C4'-P energy: -136.582
bonds (distance) P-C4' energy: -127.204
flat angles C4'-P-C4' energy: -162.916
flat angles P-C4'-P energy: -109.048
tors. eta vs tors. theta energy: -217.393
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: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2418.316419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.316419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.290073 (E_RNA)
where:
Base-Base interactions energy: -1699.088
where: short stacking energy: -706.338
Base-Backbone interact. energy: -1.074
local terms energy: -731.127539
where:
bonds (distance) C4'-P energy: -126.798
bonds (distance) P-C4' energy: -116.891
flat angles C4'-P-C4' energy: -161.829
flat angles P-C4'-P energy: -95.823
tors. eta vs tors. theta energy: -229.786
Dist. restrs. and SS energy: 12.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2398.672726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.672726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.410327 (E_RNA)
where:
Base-Base interactions energy: -1709.311
where: short stacking energy: -687.885
Base-Backbone interact. energy: -2.921
local terms energy: -703.177886
where:
bonds (distance) C4'-P energy: -120.178
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -154.545
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -211.045
Dist. restrs. and SS energy: 16.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2306.872451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.872451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.290033 (E_RNA)
where:
Base-Base interactions energy: -1665.256
where: short stacking energy: -663.715
Base-Backbone interact. energy: -1.577
local terms energy: -656.456422
where:
bonds (distance) C4'-P energy: -117.918
bonds (distance) P-C4' energy: -106.186
flat angles C4'-P-C4' energy: -137.693
flat angles P-C4'-P energy: -92.792
tors. eta vs tors. theta energy: -201.867
Dist. restrs. and SS energy: 16.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2217.756054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.756054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.204853 (E_RNA)
where:
Base-Base interactions energy: -1584.313
where: short stacking energy: -629.863
Base-Backbone interact. energy: -0.249
local terms energy: -652.643285
where:
bonds (distance) C4'-P energy: -110.655
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -141.725
flat angles P-C4'-P energy: -94.285
tors. eta vs tors. theta energy: -179.767
Dist. restrs. and SS energy: 19.449 (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: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -2030.116983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.116983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.127543 (E_RNA)
where:
Base-Base interactions energy: -1461.982
where: short stacking energy: -596.113
Base-Backbone interact. energy: 0.318
local terms energy: -597.463598
where:
bonds (distance) C4'-P energy: -112.222
bonds (distance) P-C4' energy: -104.381
flat angles C4'-P-C4' energy: -116.219
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -182.123
Dist. restrs. and SS energy: 29.011 (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: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1869.073703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.073703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.912424 (E_RNA)
where:
Base-Base interactions energy: -1319.036
where: short stacking energy: -528.507
Base-Backbone interact. energy: -3.025
local terms energy: -575.850553
where:
bonds (distance) C4'-P energy: -107.847
bonds (distance) P-C4' energy: -121.548
flat angles C4'-P-C4' energy: -121.559
flat angles P-C4'-P energy: -71.352
tors. eta vs tors. theta energy: -153.545
Dist. restrs. and SS energy: 28.839 (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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2708.660932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.660932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.887823 (E_RNA)
where:
Base-Base interactions energy: -1910.342
where: short stacking energy: -804.207
Base-Backbone interact. energy: -3.937
local terms energy: -809.608416
where:
bonds (distance) C4'-P energy: -145.272
bonds (distance) P-C4' energy: -147.598
flat angles C4'-P-C4' energy: -169.419
flat angles P-C4'-P energy: -109.865
tors. eta vs tors. theta energy: -237.454
Dist. restrs. and SS energy: 15.227 (S_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: -2618.761535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.761535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.064949 (E_RNA)
where:
Base-Base interactions energy: -1850.415
where: short stacking energy: -766.999
Base-Backbone interact. energy: -4.907
local terms energy: -777.743248
where:
bonds (distance) C4'-P energy: -133.316
bonds (distance) P-C4' energy: -127.588
flat angles C4'-P-C4' energy: -161.982
flat angles P-C4'-P energy: -113.921
tors. eta vs tors. theta energy: -240.937
Dist. restrs. and SS energy: 14.303 (S_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: 86
Temperature: 1.000000
Total energy: -2554.865168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.865168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.625090 (E_RNA)
where:
Base-Base interactions energy: -1806.511
where: short stacking energy: -744.613
Base-Backbone interact. energy: -3.169
local terms energy: -754.944794
where:
bonds (distance) C4'-P energy: -133.027
bonds (distance) P-C4' energy: -134.337
flat angles C4'-P-C4' energy: -158.648
flat angles P-C4'-P energy: -106.326
tors. eta vs tors. theta energy: -222.606
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: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2477.523827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.523827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.135206 (E_RNA)
where:
Base-Base interactions energy: -1730.492
where: short stacking energy: -728.008
Base-Backbone interact. energy: 1.124
local terms energy: -751.767398
where:
bonds (distance) C4'-P energy: -122.923
bonds (distance) P-C4' energy: -139.319
flat angles C4'-P-C4' energy: -158.467
flat angles P-C4'-P energy: -110.999
tors. eta vs tors. theta energy: -220.059
Dist. restrs. and SS energy: 3.611 (S_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: 86
Temperature: 1.100000
Total energy: -2473.232886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.232886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.606481 (E_RNA)
where:
Base-Base interactions energy: -1766.545
where: short stacking energy: -725.516
Base-Backbone interact. energy: -3.264
local terms energy: -715.797862
where:
bonds (distance) C4'-P energy: -120.524
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -156.042
flat angles P-C4'-P energy: -87.921
tors. eta vs tors. theta energy: -223.792
Dist. restrs. and SS energy: 12.374 (S_DIST_RNA)
chem. 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: -2416.586551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.586551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.948211 (E_RNA)
where:
Base-Base interactions energy: -1699.511
where: short stacking energy: -703.596
Base-Backbone interact. energy: -2.678
local terms energy: -732.759346
where:
bonds (distance) C4'-P energy: -128.975
bonds (distance) P-C4' energy: -137.324
flat angles C4'-P-C4' energy: -155.779
flat angles P-C4'-P energy: -96.432
tors. eta vs tors. theta energy: -214.250
Dist. restrs. and SS energy: 18.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2281.024342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.024342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.029498 (E_RNA)
where:
Base-Base interactions energy: -1633.207
where: short stacking energy: -665.390
Base-Backbone interact. energy: -1.263
local terms energy: -661.559546
where:
bonds (distance) C4'-P energy: -108.902
bonds (distance) P-C4' energy: -125.382
flat angles C4'-P-C4' energy: -137.950
flat angles P-C4'-P energy: -84.671
tors. eta vs tors. theta energy: -204.654
Dist. restrs. and SS energy: 15.005 (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: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2135.237669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.237669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.907217 (E_RNA)
where:
Base-Base interactions energy: -1521.601
where: short stacking energy: -612.515
Base-Backbone interact. energy: 0.632
local terms energy: -635.938188
where:
bonds (distance) C4'-P energy: -126.942
bonds (distance) P-C4' energy: -107.405
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -95.286
tors. eta vs tors. theta energy: -183.202
Dist. restrs. and SS energy: 21.670 (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: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -2036.278808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.278808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.628130 (E_RNA)
where:
Base-Base interactions energy: -1511.640
where: short stacking energy: -617.788
Base-Backbone interact. energy: 0.279
local terms energy: -547.266798
where:
bonds (distance) C4'-P energy: -102.336
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -115.831
flat angles P-C4'-P energy: -59.339
tors. eta vs tors. theta energy: -170.795
Dist. restrs. and SS energy: 22.349 (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: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1867.793942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.793942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.833779 (E_RNA)
where:
Base-Base interactions energy: -1298.939
where: short stacking energy: -538.487
Base-Backbone interact. energy: -3.539
local terms energy: -582.355788
where:
bonds (distance) C4'-P energy: -109.216
bonds (distance) P-C4' energy: -108.822
flat angles C4'-P-C4' energy: -130.561
flat angles P-C4'-P energy: -77.946
tors. eta vs tors. theta energy: -155.811
Dist. restrs. and SS energy: 17.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2692.534046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.534046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.664928 (E_RNA)
where:
Base-Base interactions energy: -1898.547
where: short stacking energy: -791.713
Base-Backbone interact. energy: -1.600
local terms energy: -805.518024
where:
bonds (distance) C4'-P energy: -126.898
bonds (distance) P-C4' energy: -144.552
flat angles C4'-P-C4' energy: -164.865
flat angles P-C4'-P energy: -127.304
tors. eta vs tors. theta energy: -241.899
Dist. restrs. and SS energy: 13.131 (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: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2619.227921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.227921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.602347 (E_RNA)
where:
Base-Base interactions energy: -1847.565
where: short stacking energy: -769.998
Base-Backbone interact. energy: -2.071
local terms energy: -787.966595
where:
bonds (distance) C4'-P energy: -142.523
bonds (distance) P-C4' energy: -126.517
flat angles C4'-P-C4' energy: -169.324
flat angles P-C4'-P energy: -113.712
tors. eta vs tors. theta energy: -235.890
Dist. restrs. and SS energy: 18.374 (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: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2581.455304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.455304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.623063 (E_RNA)
where:
Base-Base interactions energy: -1835.353
where: short stacking energy: -759.459
Base-Backbone interact. energy: -1.405
local terms energy: -752.865235
where:
bonds (distance) C4'-P energy: -125.471
bonds (distance) P-C4' energy: -132.897
flat angles C4'-P-C4' energy: -153.810
flat angles P-C4'-P energy: -111.980
tors. eta vs tors. theta energy: -228.707
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2519.794844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.794844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.924304 (E_RNA)
where:
Base-Base interactions energy: -1798.713
where: short stacking energy: -742.743
Base-Backbone interact. energy: -3.491
local terms energy: -728.719505
where:
bonds (distance) C4'-P energy: -126.144
bonds (distance) P-C4' energy: -131.308
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -95.256
tors. eta vs tors. theta energy: -227.789
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: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2432.650070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.650070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.111474 (E_RNA)
where:
Base-Base interactions energy: -1727.815
where: short stacking energy: -704.055
Base-Backbone interact. energy: 5.703
local terms energy: -715.999576
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -113.705
flat angles C4'-P-C4' energy: -151.259
flat angles P-C4'-P energy: -112.245
tors. eta vs tors. theta energy: -216.493
Dist. restrs. and SS energy: 5.461 (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: 87
Temperature: 1.150000
Total energy: -2327.761903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.761903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.903354 (E_RNA)
where:
Base-Base interactions energy: -1659.080
where: short stacking energy: -684.417
Base-Backbone interact. energy: -1.875
local terms energy: -684.948745
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -113.717
flat angles C4'-P-C4' energy: -149.964
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -213.420
Dist. restrs. and SS energy: 18.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2272.185842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.185842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.469495 (E_RNA)
where:
Base-Base interactions energy: -1607.516
where: short stacking energy: -639.363
Base-Backbone interact. energy: -0.111
local terms energy: -673.842286
where:
bonds (distance) C4'-P energy: -124.403
bonds (distance) P-C4' energy: -114.718
flat angles C4'-P-C4' energy: -141.035
flat angles P-C4'-P energy: -99.401
tors. eta vs tors. theta energy: -194.285
Dist. restrs. and SS energy: 9.284 (S_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: 87
Temperature: 1.250000
Total energy: -2095.424927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.424927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.976088 (E_RNA)
where:
Base-Base interactions energy: -1482.995
where: short stacking energy: -588.872
Base-Backbone interact. energy: -0.594
local terms energy: -632.386621
where:
bonds (distance) C4'-P energy: -115.713
bonds (distance) P-C4' energy: -120.027
flat angles C4'-P-C4' energy: -124.201
flat angles P-C4'-P energy: -92.104
tors. eta vs tors. theta energy: -180.343
Dist. restrs. and SS energy: 20.551 (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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -2048.024819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.024819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.752374 (E_RNA)
where:
Base-Base interactions energy: -1469.611
where: short stacking energy: -606.227
Base-Backbone interact. energy: -0.676
local terms energy: -605.465439
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -114.299
flat angles C4'-P-C4' energy: -129.103
flat angles P-C4'-P energy: -76.801
tors. eta vs tors. theta energy: -179.502
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: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1895.114863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.114863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.374003 (E_RNA)
where:
Base-Base interactions energy: -1334.652
where: short stacking energy: -536.895
Base-Backbone interact. energy: 1.134
local terms energy: -586.856192
where:
bonds (distance) C4'-P energy: -100.123
bonds (distance) P-C4' energy: -121.602
flat angles C4'-P-C4' energy: -135.922
flat angles P-C4'-P energy: -69.761
tors. eta vs tors. theta energy: -159.449
Dist. restrs. and SS energy: 25.259 (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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2693.724287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.724287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.820628 (E_RNA)
where:
Base-Base interactions energy: -1920.103
where: short stacking energy: -800.306
Base-Backbone interact. energy: -1.151
local terms energy: -782.566071
where:
bonds (distance) C4'-P energy: -126.681
bonds (distance) P-C4' energy: -135.740
flat angles C4'-P-C4' energy: -168.381
flat angles P-C4'-P energy: -108.902
tors. eta vs tors. theta energy: -242.862
Dist. restrs. and SS energy: 10.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2632.746229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.746229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.016523 (E_RNA)
where:
Base-Base interactions energy: -1842.749
where: short stacking energy: -772.817
Base-Backbone interact. energy: 0.127
local terms energy: -806.394167
where:
bonds (distance) C4'-P energy: -148.208
bonds (distance) P-C4' energy: -139.981
flat angles C4'-P-C4' energy: -147.987
flat angles P-C4'-P energy: -130.739
tors. eta vs tors. theta energy: -239.479
Dist. restrs. and SS energy: 16.270 (S_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: -2561.324644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.324644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.692047 (E_RNA)
where:
Base-Base interactions energy: -1818.306
where: short stacking energy: -728.957
Base-Backbone interact. energy: -3.356
local terms energy: -749.029510
where:
bonds (distance) C4'-P energy: -134.596
bonds (distance) P-C4' energy: -132.288
flat angles C4'-P-C4' energy: -153.467
flat angles P-C4'-P energy: -100.426
tors. eta vs tors. theta energy: -228.253
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: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2544.478938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.478938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.540233 (E_RNA)
where:
Base-Base interactions energy: -1819.083
where: short stacking energy: -756.486
Base-Backbone interact. energy: -2.968
local terms energy: -735.490191
where:
bonds (distance) C4'-P energy: -127.213
bonds (distance) P-C4' energy: -123.566
flat angles C4'-P-C4' energy: -156.189
flat angles P-C4'-P energy: -103.833
tors. eta vs tors. theta energy: -224.689
Dist. restrs. and SS energy: 13.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2434.113021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.113021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.657573 (E_RNA)
where:
Base-Base interactions energy: -1733.843
where: short stacking energy: -672.018
Base-Backbone interact. energy: 1.585
local terms energy: -710.399331
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -121.593
flat angles C4'-P-C4' energy: -146.290
flat angles P-C4'-P energy: -99.693
tors. eta vs tors. theta energy: -220.360
Dist. restrs. and SS energy: 8.545 (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: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2375.399990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.399990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.988382 (E_RNA)
where:
Base-Base interactions energy: -1690.582
where: short stacking energy: -700.860
Base-Backbone interact. energy: 2.590
local terms energy: -701.996795
where:
bonds (distance) C4'-P energy: -115.005
bonds (distance) P-C4' energy: -126.988
flat angles C4'-P-C4' energy: -157.640
flat angles P-C4'-P energy: -86.180
tors. eta vs tors. theta energy: -216.184
Dist. restrs. and SS energy: 14.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2259.532702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.532702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.089444 (E_RNA)
where:
Base-Base interactions energy: -1580.093
where: short stacking energy: -652.846
Base-Backbone interact. energy: -0.326
local terms energy: -688.670448
where:
bonds (distance) C4'-P energy: -122.202
bonds (distance) P-C4' energy: -127.742
flat angles C4'-P-C4' energy: -152.356
flat angles P-C4'-P energy: -94.645
tors. eta vs tors. theta energy: -191.726
Dist. restrs. and SS energy: 9.557 (S_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: 88
Temperature: 1.250000
Total energy: -2103.791192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.791192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.034512 (E_RNA)
where:
Base-Base interactions energy: -1483.074
where: short stacking energy: -595.030
Base-Backbone interact. energy: 1.834
local terms energy: -639.793744
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -120.003
flat angles C4'-P-C4' energy: -153.558
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -178.691
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: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -2031.626914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.626914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.761024 (E_RNA)
where:
Base-Base interactions energy: -1453.274
where: short stacking energy: -570.550
Base-Backbone interact. energy: -4.842
local terms energy: -597.644576
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -142.709
flat angles P-C4'-P energy: -70.860
tors. eta vs tors. theta energy: -172.686
Dist. restrs. and SS energy: 24.134 (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: 88
Temperature: 1.350000
Total energy: -1835.606065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.606065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.950596 (E_RNA)
where:
Base-Base interactions energy: -1327.117
where: short stacking energy: -530.152
Base-Backbone interact. energy: -1.882
local terms energy: -535.950885
where:
bonds (distance) C4'-P energy: -77.114
bonds (distance) P-C4' energy: -109.262
flat angles C4'-P-C4' energy: -131.396
flat angles P-C4'-P energy: -69.649
tors. eta vs tors. theta energy: -148.530
Dist. restrs. and SS energy: 29.345 (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: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2706.988458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.988458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.746720 (E_RNA)
where:
Base-Base interactions energy: -1923.342
where: short stacking energy: -796.007
Base-Backbone interact. energy: -2.706
local terms energy: -791.698412
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -129.414
flat angles C4'-P-C4' energy: -171.452
flat angles P-C4'-P energy: -122.743
tors. eta vs tors. theta energy: -235.684
Dist. restrs. and SS energy: 10.758 (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: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2615.227842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.227842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.384686 (E_RNA)
where:
Base-Base interactions energy: -1839.103
where: short stacking energy: -753.722
Base-Backbone interact. energy: -2.672
local terms energy: -781.609979
where:
bonds (distance) C4'-P energy: -129.922
bonds (distance) P-C4' energy: -137.647
flat angles C4'-P-C4' energy: -166.223
flat angles P-C4'-P energy: -109.720
tors. eta vs tors. theta energy: -238.098
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: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2579.948688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.948688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.075958 (E_RNA)
where:
Base-Base interactions energy: -1833.681
where: short stacking energy: -747.171
Base-Backbone interact. energy: 0.722
local terms energy: -764.116645
where:
bonds (distance) C4'-P energy: -134.378
bonds (distance) P-C4' energy: -125.373
flat angles C4'-P-C4' energy: -159.742
flat angles P-C4'-P energy: -108.893
tors. eta vs tors. theta energy: -235.730
Dist. restrs. and SS energy: 17.127 (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: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2522.475306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.475306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.997329 (E_RNA)
where:
Base-Base interactions energy: -1808.216
where: short stacking energy: -736.631
Base-Backbone interact. energy: -2.259
local terms energy: -722.522961
where:
bonds (distance) C4'-P energy: -121.007
bonds (distance) P-C4' energy: -125.424
flat angles C4'-P-C4' energy: -148.991
flat angles P-C4'-P energy: -108.518
tors. eta vs tors. theta energy: -218.583
Dist. restrs. and SS energy: 10.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2381.968977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.968977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.563478 (E_RNA)
where:
Base-Base interactions energy: -1679.918
where: short stacking energy: -701.517
Base-Backbone interact. energy: 3.366
local terms energy: -712.010924
where:
bonds (distance) C4'-P energy: -130.825
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -144.449
flat angles P-C4'-P energy: -102.346
tors. eta vs tors. theta energy: -206.491
Dist. restrs. and SS energy: 6.595 (S_DIST_RNA)
chem. 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: -2352.292311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.292311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.928033 (E_RNA)
where:
Base-Base interactions energy: -1684.243
where: short stacking energy: -677.467
Base-Backbone interact. energy: -1.764
local terms energy: -685.920981
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -101.109
flat angles C4'-P-C4' energy: -155.549
flat angles P-C4'-P energy: -94.493
tors. eta vs tors. theta energy: -215.836
Dist. restrs. and SS energy: 19.636 (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: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2295.585113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.585113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.046970 (E_RNA)
where:
Base-Base interactions energy: -1617.992
where: short stacking energy: -652.121
Base-Backbone interact. energy: 1.179
local terms energy: -684.233906
where:
bonds (distance) C4'-P energy: -125.514
bonds (distance) P-C4' energy: -116.827
flat angles C4'-P-C4' energy: -135.904
flat angles P-C4'-P energy: -93.480
tors. eta vs tors. theta energy: -212.508
Dist. restrs. and SS energy: 5.462 (S_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: 89
Temperature: 1.250000
Total energy: -2113.377366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.377366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.446467 (E_RNA)
where:
Base-Base interactions energy: -1502.555
where: short stacking energy: -612.217
Base-Backbone interact. energy: -0.252
local terms energy: -631.640005
where:
bonds (distance) C4'-P energy: -105.089
bonds (distance) P-C4' energy: -110.320
flat angles C4'-P-C4' energy: -152.545
flat angles P-C4'-P energy: -78.219
tors. eta vs tors. theta energy: -185.467
Dist. restrs. and SS energy: 21.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -2054.189271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.189271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.665976 (E_RNA)
where:
Base-Base interactions energy: -1448.115
where: short stacking energy: -564.746
Base-Backbone interact. energy: 2.986
local terms energy: -622.536198
where:
bonds (distance) C4'-P energy: -105.626
bonds (distance) P-C4' energy: -120.477
flat angles C4'-P-C4' energy: -132.552
flat angles P-C4'-P energy: -86.531
tors. eta vs tors. theta energy: -177.350
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: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1851.348704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.348704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.178975 (E_RNA)
where:
Base-Base interactions energy: -1324.682
where: short stacking energy: -530.493
Base-Backbone interact. energy: -3.051
local terms energy: -553.445694
where:
bonds (distance) C4'-P energy: -110.325
bonds (distance) P-C4' energy: -88.599
flat angles C4'-P-C4' energy: -120.060
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: -173.602
Dist. restrs. and SS energy: 29.830 (S_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: 90
Temperature: 0.900000
Total energy: -2690.801902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.801902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.260698 (E_RNA)
where:
Base-Base interactions energy: -1908.637
where: short stacking energy: -796.379
Base-Backbone interact. energy: -1.507
local terms energy: -792.116528
where:
bonds (distance) C4'-P energy: -128.503
bonds (distance) P-C4' energy: -133.019
flat angles C4'-P-C4' energy: -171.144
flat angles P-C4'-P energy: -114.331
tors. eta vs tors. theta energy: -245.119
Dist. restrs. and SS energy: 11.459 (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: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2592.790173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.790173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.131523 (E_RNA)
where:
Base-Base interactions energy: -1812.362
where: short stacking energy: -741.909
Base-Backbone interact. energy: -1.383
local terms energy: -787.386642
where:
bonds (distance) C4'-P energy: -150.164
bonds (distance) P-C4' energy: -138.650
flat angles C4'-P-C4' energy: -158.787
flat angles P-C4'-P energy: -112.365
tors. eta vs tors. theta energy: -227.421
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: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2564.889445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.889445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.900383 (E_RNA)
where:
Base-Base interactions energy: -1814.770
where: short stacking energy: -751.763
Base-Backbone interact. energy: -2.316
local terms energy: -760.813903
where:
bonds (distance) C4'-P energy: -132.686
bonds (distance) P-C4' energy: -142.661
flat angles C4'-P-C4' energy: -156.327
flat angles P-C4'-P energy: -98.398
tors. eta vs tors. theta energy: -230.742
Dist. restrs. and SS energy: 13.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2526.333204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.333204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.277917 (E_RNA)
where:
Base-Base interactions energy: -1812.803
where: short stacking energy: -752.720
Base-Backbone interact. energy: 0.813
local terms energy: -726.287469
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -123.101
flat angles C4'-P-C4' energy: -145.168
flat angles P-C4'-P energy: -106.873
tors. eta vs tors. theta energy: -233.005
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: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2401.068581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.068581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.495120 (E_RNA)
where:
Base-Base interactions energy: -1714.441
where: short stacking energy: -683.658
Base-Backbone interact. energy: -0.533
local terms energy: -699.521100
where:
bonds (distance) C4'-P energy: -124.231
bonds (distance) P-C4' energy: -125.695
flat angles C4'-P-C4' energy: -144.023
flat angles P-C4'-P energy: -89.763
tors. eta vs tors. theta energy: -215.810
Dist. restrs. and SS energy: 13.427 (S_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: 90
Temperature: 1.150000
Total energy: -2353.378427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.378427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.954959 (E_RNA)
where:
Base-Base interactions energy: -1674.453
where: short stacking energy: -682.957
Base-Backbone interact. energy: -1.732
local terms energy: -685.770567
where:
bonds (distance) C4'-P energy: -122.816
bonds (distance) P-C4' energy: -108.193
flat angles C4'-P-C4' energy: -146.035
flat angles P-C4'-P energy: -102.002
tors. eta vs tors. theta energy: -206.725
Dist. restrs. and SS energy: 8.577 (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: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2307.929784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.929784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.479166 (E_RNA)
where:
Base-Base interactions energy: -1674.346
where: short stacking energy: -671.274
Base-Backbone interact. energy: 0.004
local terms energy: -638.137153
where:
bonds (distance) C4'-P energy: -114.103
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -146.965
flat angles P-C4'-P energy: -85.160
tors. eta vs tors. theta energy: -195.958
Dist. restrs. and SS energy: 4.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2140.342115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.342115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.460925 (E_RNA)
where:
Base-Base interactions energy: -1519.467
where: short stacking energy: -628.387
Base-Backbone interact. energy: 4.377
local terms energy: -647.371260
where:
bonds (distance) C4'-P energy: -112.522
bonds (distance) P-C4' energy: -129.001
flat angles C4'-P-C4' energy: -140.923
flat angles P-C4'-P energy: -75.609
tors. eta vs tors. theta energy: -189.316
Dist. restrs. and SS energy: 22.119 (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: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -2126.707067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.707067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.062639 (E_RNA)
where:
Base-Base interactions energy: -1527.794
where: short stacking energy: -605.298
Base-Backbone interact. energy: -1.497
local terms energy: -611.771130
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -97.925
flat angles C4'-P-C4' energy: -145.236
flat angles P-C4'-P energy: -67.887
tors. eta vs tors. theta energy: -191.981
Dist. restrs. and SS energy: 14.356 (S_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: -1822.577972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.577972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.786165 (E_RNA)
where:
Base-Base interactions energy: -1322.202
where: short stacking energy: -532.971
Base-Backbone interact. energy: 1.760
local terms energy: -542.344304
where:
bonds (distance) C4'-P energy: -110.485
bonds (distance) P-C4' energy: -99.684
flat angles C4'-P-C4' energy: -125.355
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -151.979
Dist. restrs. and SS energy: 40.208 (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: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2693.752472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.597382 (E_RNA)
where:
Base-Base interactions energy: -1901.894
where: short stacking energy: -789.235
Base-Backbone interact. energy: -0.686
local terms energy: -804.017828
where:
bonds (distance) C4'-P energy: -144.782
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -167.946
flat angles P-C4'-P energy: -116.219
tors. eta vs tors. theta energy: -240.653
Dist. restrs. and SS energy: 12.845 (S_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: 91
Temperature: 0.950000
Total energy: -2624.805907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.805907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.546830 (E_RNA)
where:
Base-Base interactions energy: -1868.854
where: short stacking energy: -759.313
Base-Backbone interact. energy: -1.931
local terms energy: -763.762337
where:
bonds (distance) C4'-P energy: -117.276
bonds (distance) P-C4' energy: -131.154
flat angles C4'-P-C4' energy: -167.204
flat angles P-C4'-P energy: -115.667
tors. eta vs tors. theta energy: -232.461
Dist. restrs. and SS energy: 9.741 (S_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: 91
Temperature: 1.000000
Total energy: -2576.268047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.268047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.226118 (E_RNA)
where:
Base-Base interactions energy: -1828.120
where: short stacking energy: -750.341
Base-Backbone interact. energy: -2.524
local terms energy: -758.582409
where:
bonds (distance) C4'-P energy: -122.586
bonds (distance) P-C4' energy: -130.188
flat angles C4'-P-C4' energy: -164.210
flat angles P-C4'-P energy: -106.540
tors. eta vs tors. theta energy: -235.059
Dist. restrs. and SS energy: 12.958 (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: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2528.264152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.264152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.575405 (E_RNA)
where:
Base-Base interactions energy: -1803.775
where: short stacking energy: -738.215
Base-Backbone interact. energy: 3.872
local terms energy: -737.672533
where:
bonds (distance) C4'-P energy: -122.226
bonds (distance) P-C4' energy: -124.673
flat angles C4'-P-C4' energy: -161.652
flat angles P-C4'-P energy: -103.814
tors. eta vs tors. theta energy: -225.307
Dist. restrs. and SS energy: 9.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2387.739359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.739359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.492104 (E_RNA)
where:
Base-Base interactions energy: -1689.053
where: short stacking energy: -688.088
Base-Backbone interact. energy: -2.303
local terms energy: -709.135853
where:
bonds (distance) C4'-P energy: -126.533
bonds (distance) P-C4' energy: -112.581
flat angles C4'-P-C4' energy: -148.821
flat angles P-C4'-P energy: -107.757
tors. eta vs tors. theta energy: -213.444
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: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2328.787850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.787850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.832095 (E_RNA)
where:
Base-Base interactions energy: -1642.136
where: short stacking energy: -653.443
Base-Backbone interact. energy: -2.503
local terms energy: -689.193501
where:
bonds (distance) C4'-P energy: -114.892
bonds (distance) P-C4' energy: -139.138
flat angles C4'-P-C4' energy: -137.881
flat angles P-C4'-P energy: -90.980
tors. eta vs tors. theta energy: -206.303
Dist. restrs. and SS energy: 5.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2335.281728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.281728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.371308 (E_RNA)
where:
Base-Base interactions energy: -1685.388
where: short stacking energy: -683.087
Base-Backbone interact. energy: 1.750
local terms energy: -655.733024
where:
bonds (distance) C4'-P energy: -110.889
bonds (distance) P-C4' energy: -117.113
flat angles C4'-P-C4' energy: -143.157
flat angles P-C4'-P energy: -80.041
tors. eta vs tors. theta energy: -204.533
Dist. restrs. and SS energy: 4.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2148.655419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.655419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.292256 (E_RNA)
where:
Base-Base interactions energy: -1518.723
where: short stacking energy: -597.313
Base-Backbone interact. energy: -1.169
local terms energy: -644.400570
where:
bonds (distance) C4'-P energy: -109.965
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -153.188
flat angles P-C4'-P energy: -90.036
tors. eta vs tors. theta energy: -190.980
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: 91
Temperature: 1.300000
Total energy: -2095.368420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.368420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.701199 (E_RNA)
where:
Base-Base interactions energy: -1502.811
where: short stacking energy: -605.804
Base-Backbone interact. energy: -0.277
local terms energy: -604.613702
where:
bonds (distance) C4'-P energy: -102.768
bonds (distance) P-C4' energy: -110.932
flat angles C4'-P-C4' energy: -140.129
flat angles P-C4'-P energy: -71.129
tors. eta vs tors. theta energy: -179.655
Dist. restrs. and SS energy: 12.333 (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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1815.110062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.110062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.052749 (E_RNA)
where:
Base-Base interactions energy: -1287.575
where: short stacking energy: -505.337
Base-Backbone interact. energy: 0.926
local terms energy: -557.403961
where:
bonds (distance) C4'-P energy: -105.458
bonds (distance) P-C4' energy: -116.443
flat angles C4'-P-C4' energy: -127.004
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -150.023
Dist. restrs. and SS energy: 28.943 (S_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: 92
Temperature: 0.900000
Total energy: -2723.733667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.733667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.979259 (E_RNA)
where:
Base-Base interactions energy: -1931.420
where: short stacking energy: -821.411
Base-Backbone interact. energy: -1.492
local terms energy: -805.066661
where:
bonds (distance) C4'-P energy: -139.772
bonds (distance) P-C4' energy: -139.022
flat angles C4'-P-C4' energy: -173.155
flat angles P-C4'-P energy: -110.045
tors. eta vs tors. theta energy: -243.074
Dist. restrs. and SS energy: 14.246 (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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2623.136472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.136472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.425789 (E_RNA)
where:
Base-Base interactions energy: -1846.737
where: short stacking energy: -759.458
Base-Backbone interact. energy: -1.708
local terms energy: -785.981031
where:
bonds (distance) C4'-P energy: -134.098
bonds (distance) P-C4' energy: -145.416
flat angles C4'-P-C4' energy: -154.592
flat angles P-C4'-P energy: -116.847
tors. eta vs tors. theta energy: -235.028
Dist. restrs. and SS energy: 11.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2590.515680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.515680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.930946 (E_RNA)
where:
Base-Base interactions energy: -1865.271
where: short stacking energy: -772.736
Base-Backbone interact. energy: -2.280
local terms energy: -732.379817
where:
bonds (distance) C4'-P energy: -120.584
bonds (distance) P-C4' energy: -130.373
flat angles C4'-P-C4' energy: -156.933
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -229.251
Dist. restrs. and SS energy: 9.415 (S_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: 92
Temperature: 1.050000
Total energy: -2515.028558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.028558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.878006 (E_RNA)
where:
Base-Base interactions energy: -1788.852
where: short stacking energy: -718.558
Base-Backbone interact. energy: -3.987
local terms energy: -733.038680
where:
bonds (distance) C4'-P energy: -127.992
bonds (distance) P-C4' energy: -132.457
flat angles C4'-P-C4' energy: -151.718
flat angles P-C4'-P energy: -89.696
tors. eta vs tors. theta energy: -231.176
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: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2385.386265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.386265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.236080 (E_RNA)
where:
Base-Base interactions energy: -1665.552
where: short stacking energy: -671.548
Base-Backbone interact. energy: -1.742
local terms energy: -729.941700
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -134.581
flat angles C4'-P-C4' energy: -144.559
flat angles P-C4'-P energy: -112.765
tors. eta vs tors. theta energy: -206.225
Dist. restrs. and SS energy: 11.850 (S_DIST_RNA)
chem. 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: -2348.958029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.958029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.753204 (E_RNA)
where:
Base-Base interactions energy: -1670.980
where: short stacking energy: -661.959
Base-Backbone interact. energy: -3.974
local terms energy: -686.799649
where:
bonds (distance) C4'-P energy: -114.653
bonds (distance) P-C4' energy: -123.477
flat angles C4'-P-C4' energy: -141.252
flat angles P-C4'-P energy: -106.708
tors. eta vs tors. theta energy: -200.710
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: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2346.755519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.755519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.169935 (E_RNA)
where:
Base-Base interactions energy: -1654.340
where: short stacking energy: -667.648
Base-Backbone interact. energy: -2.079
local terms energy: -694.751079
where:
bonds (distance) C4'-P energy: -113.719
bonds (distance) P-C4' energy: -130.604
flat angles C4'-P-C4' energy: -133.756
flat angles P-C4'-P energy: -96.590
tors. eta vs tors. theta energy: -220.082
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2095.431482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.431482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.179293 (E_RNA)
where:
Base-Base interactions energy: -1506.226
where: short stacking energy: -581.962
Base-Backbone interact. energy: -2.743
local terms energy: -597.210066
where:
bonds (distance) C4'-P energy: -95.652
bonds (distance) P-C4' energy: -118.225
flat angles C4'-P-C4' energy: -129.295
flat angles P-C4'-P energy: -80.737
tors. eta vs tors. theta energy: -173.301
Dist. restrs. and SS energy: 10.748 (S_DIST_RNA)
chem. 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: -2127.393736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.393736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.128689 (E_RNA)
where:
Base-Base interactions energy: -1512.828
where: short stacking energy: -593.136
Base-Backbone interact. energy: 1.733
local terms energy: -633.033689
where:
bonds (distance) C4'-P energy: -125.517
bonds (distance) P-C4' energy: -121.514
flat angles C4'-P-C4' energy: -134.804
flat angles P-C4'-P energy: -65.727
tors. eta vs tors. theta energy: -185.471
Dist. restrs. and SS energy: 16.735 (S_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: -1810.333948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.333948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.972097 (E_RNA)
where:
Base-Base interactions energy: -1286.251
where: short stacking energy: -530.434
Base-Backbone interact. energy: 0.991
local terms energy: -557.712332
where:
bonds (distance) C4'-P energy: -98.709
bonds (distance) P-C4' energy: -108.106
flat angles C4'-P-C4' energy: -116.918
flat angles P-C4'-P energy: -70.671
tors. eta vs tors. theta energy: -163.309
Dist. restrs. and SS energy: 32.638 (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: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2701.094796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.094796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.101348 (E_RNA)
where:
Base-Base interactions energy: -1912.748
where: short stacking energy: -810.619
Base-Backbone interact. energy: -1.054
local terms energy: -799.299915
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -143.565
flat angles C4'-P-C4' energy: -169.863
flat angles P-C4'-P energy: -114.007
tors. eta vs tors. theta energy: -246.471
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: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2623.036554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.036554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.524914 (E_RNA)
where:
Base-Base interactions energy: -1847.631
where: short stacking energy: -768.113
Base-Backbone interact. energy: -2.809
local terms energy: -783.085507
where:
bonds (distance) C4'-P energy: -140.707
bonds (distance) P-C4' energy: -137.565
flat angles C4'-P-C4' energy: -147.790
flat angles P-C4'-P energy: -114.532
tors. eta vs tors. theta energy: -242.492
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: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2588.667304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.667304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.904536 (E_RNA)
where:
Base-Base interactions energy: -1816.495
where: short stacking energy: -738.063
Base-Backbone interact. energy: -1.772
local terms energy: -779.637130
where:
bonds (distance) C4'-P energy: -131.827
bonds (distance) P-C4' energy: -141.883
flat angles C4'-P-C4' energy: -155.644
flat angles P-C4'-P energy: -116.435
tors. eta vs tors. theta energy: -233.848
Dist. restrs. and SS energy: 9.237 (S_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: 93
Temperature: 1.050000
Total energy: -2513.880412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.880412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.483455 (E_RNA)
where:
Base-Base interactions energy: -1812.278
where: short stacking energy: -741.849
Base-Backbone interact. energy: -1.755
local terms energy: -711.450033
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -115.590
flat angles C4'-P-C4' energy: -143.681
flat angles P-C4'-P energy: -107.171
tors. eta vs tors. theta energy: -236.872
Dist. restrs. and SS energy: 11.603 (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: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2402.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.640758 (E_RNA)
where:
Base-Base interactions energy: -1716.779
where: short stacking energy: -682.278
Base-Backbone interact. energy: -2.287
local terms energy: -695.575651
where:
bonds (distance) C4'-P energy: -123.239
bonds (distance) P-C4' energy: -121.970
flat angles C4'-P-C4' energy: -141.111
flat angles P-C4'-P energy: -101.648
tors. eta vs tors. theta energy: -207.608
Dist. restrs. and SS energy: 11.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2404.253248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.253248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.536442 (E_RNA)
where:
Base-Base interactions energy: -1714.301
where: short stacking energy: -679.814
Base-Backbone interact. energy: 0.082
local terms energy: -694.317408
where:
bonds (distance) C4'-P energy: -109.599
bonds (distance) P-C4' energy: -109.061
flat angles C4'-P-C4' energy: -144.087
flat angles P-C4'-P energy: -106.518
tors. eta vs tors. theta energy: -225.052
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2283.171895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.171895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.666602 (E_RNA)
where:
Base-Base interactions energy: -1639.818
where: short stacking energy: -655.621
Base-Backbone interact. energy: -3.687
local terms energy: -654.161826
where:
bonds (distance) C4'-P energy: -112.751
bonds (distance) P-C4' energy: -121.084
flat angles C4'-P-C4' energy: -130.415
flat angles P-C4'-P energy: -87.452
tors. eta vs tors. theta energy: -202.461
Dist. restrs. and SS energy: 14.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2106.609104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.609104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.579106 (E_RNA)
where:
Base-Base interactions energy: -1502.881
where: short stacking energy: -588.335
Base-Backbone interact. energy: -1.968
local terms energy: -616.730368
where:
bonds (distance) C4'-P energy: -105.440
bonds (distance) P-C4' energy: -110.051
flat angles C4'-P-C4' energy: -135.684
flat angles P-C4'-P energy: -92.867
tors. eta vs tors. theta energy: -172.689
Dist. restrs. and SS energy: 14.970 (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: 93
Temperature: 1.300000
Total energy: -2082.458784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.458784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.817467 (E_RNA)
where:
Base-Base interactions energy: -1464.123
where: short stacking energy: -580.571
Base-Backbone interact. energy: -1.339
local terms energy: -644.355053
where:
bonds (distance) C4'-P energy: -113.818
bonds (distance) P-C4' energy: -120.453
flat angles C4'-P-C4' energy: -136.741
flat angles P-C4'-P energy: -90.951
tors. eta vs tors. theta energy: -182.392
Dist. restrs. and SS energy: 27.359 (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: 93
Temperature: 1.350000
Total energy: -1796.733070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.733070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.949483 (E_RNA)
where:
Base-Base interactions energy: -1271.811
where: short stacking energy: -510.763
Base-Backbone interact. energy: 2.646
local terms energy: -555.784093
where:
bonds (distance) C4'-P energy: -96.795
bonds (distance) P-C4' energy: -115.743
flat angles C4'-P-C4' energy: -129.639
flat angles P-C4'-P energy: -74.149
tors. eta vs tors. theta energy: -139.458
Dist. restrs. and SS energy: 28.216 (S_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: 94
Temperature: 0.900000
Total energy: -2703.803189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.803189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.940793 (E_RNA)
where:
Base-Base interactions energy: -1905.949
where: short stacking energy: -806.075
Base-Backbone interact. energy: -2.474
local terms energy: -809.517568
where:
bonds (distance) C4'-P energy: -141.963
bonds (distance) P-C4' energy: -141.740
flat angles C4'-P-C4' energy: -158.892
flat angles P-C4'-P energy: -121.544
tors. eta vs tors. theta energy: -245.378
Dist. restrs. and SS energy: 14.138 (S_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: 94
Temperature: 0.950000
Total energy: -2627.619696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.619696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.615046 (E_RNA)
where:
Base-Base interactions energy: -1868.264
where: short stacking energy: -737.873
Base-Backbone interact. energy: -2.785
local terms energy: -764.565478
where:
bonds (distance) C4'-P energy: -128.010
bonds (distance) P-C4' energy: -137.492
flat angles C4'-P-C4' energy: -152.466
flat angles P-C4'-P energy: -108.791
tors. eta vs tors. theta energy: -237.806
Dist. restrs. and SS energy: 7.995 (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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2585.176675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.176675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.778184 (E_RNA)
where:
Base-Base interactions energy: -1853.106
where: short stacking energy: -756.435
Base-Backbone interact. energy: -3.476
local terms energy: -739.196535
where:
bonds (distance) C4'-P energy: -115.785
bonds (distance) P-C4' energy: -131.499
flat angles C4'-P-C4' energy: -161.808
flat angles P-C4'-P energy: -101.911
tors. eta vs tors. theta energy: -228.194
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: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2437.635915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.635915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.511138 (E_RNA)
where:
Base-Base interactions energy: -1738.452
where: short stacking energy: -699.720
Base-Backbone interact. energy: 10.501
local terms energy: -721.559885
where:
bonds (distance) C4'-P energy: -126.195
bonds (distance) P-C4' energy: -132.352
flat angles C4'-P-C4' energy: -138.520
flat angles P-C4'-P energy: -108.662
tors. eta vs tors. theta energy: -215.831
Dist. restrs. and SS energy: 11.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2476.280301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.280301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.894526 (E_RNA)
where:
Base-Base interactions energy: -1758.532
where: short stacking energy: -736.644
Base-Backbone interact. energy: -3.633
local terms energy: -720.729480
where:
bonds (distance) C4'-P energy: -123.965
bonds (distance) P-C4' energy: -130.463
flat angles C4'-P-C4' energy: -153.438
flat angles P-C4'-P energy: -92.333
tors. eta vs tors. theta energy: -220.531
Dist. restrs. and SS energy: 6.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2350.466268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.466268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.083181 (E_RNA)
where:
Base-Base interactions energy: -1685.745
where: short stacking energy: -687.061
Base-Backbone interact. energy: -1.351
local terms energy: -672.987295
where:
bonds (distance) C4'-P energy: -123.625
bonds (distance) P-C4' energy: -119.417
flat angles C4'-P-C4' energy: -147.319
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -201.148
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: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2272.952258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.952258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.406763 (E_RNA)
where:
Base-Base interactions energy: -1621.913
where: short stacking energy: -646.322
Base-Backbone interact. energy: 1.459
local terms energy: -669.952937
where:
bonds (distance) C4'-P energy: -115.740
bonds (distance) P-C4' energy: -116.817
flat angles C4'-P-C4' energy: -141.068
flat angles P-C4'-P energy: -95.020
tors. eta vs tors. theta energy: -201.308
Dist. restrs. and SS energy: 17.455 (S_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: 94
Temperature: 1.250000
Total energy: -2142.606874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.606874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.647862 (E_RNA)
where:
Base-Base interactions energy: -1543.620
where: short stacking energy: -618.736
Base-Backbone interact. energy: -2.809
local terms energy: -608.219518
where:
bonds (distance) C4'-P energy: -84.733
bonds (distance) P-C4' energy: -103.677
flat angles C4'-P-C4' energy: -145.074
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -194.105
Dist. restrs. and SS energy: 12.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -2102.462538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.462538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.400816 (E_RNA)
where:
Base-Base interactions energy: -1508.059
where: short stacking energy: -625.399
Base-Backbone interact. energy: 0.636
local terms energy: -617.977407
where:
bonds (distance) C4'-P energy: -92.783
bonds (distance) P-C4' energy: -130.277
flat angles C4'-P-C4' energy: -128.081
flat angles P-C4'-P energy: -75.497
tors. eta vs tors. theta energy: -191.340
Dist. restrs. and SS energy: 22.938 (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: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1831.908677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.908677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.030944 (E_RNA)
where:
Base-Base interactions energy: -1269.672
where: short stacking energy: -519.365
Base-Backbone interact. energy: 0.364
local terms energy: -593.722295
where:
bonds (distance) C4'-P energy: -114.611
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -118.604
flat angles P-C4'-P energy: -74.245
tors. eta vs tors. theta energy: -166.746
Dist. restrs. and SS energy: 31.122 (S_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: 95
Temperature: 0.900000
Total energy: -2716.447386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.447386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.230222 (E_RNA)
where:
Base-Base interactions energy: -1902.847
where: short stacking energy: -784.761
Base-Backbone interact. energy: -2.947
local terms energy: -821.436477
where:
bonds (distance) C4'-P energy: -140.567
bonds (distance) P-C4' energy: -146.354
flat angles C4'-P-C4' energy: -166.904
flat angles P-C4'-P energy: -126.453
tors. eta vs tors. theta energy: -241.159
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2651.379803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.379803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.333004 (E_RNA)
where:
Base-Base interactions energy: -1860.886
where: short stacking energy: -764.267
Base-Backbone interact. energy: -2.698
local terms energy: -796.748305
where:
bonds (distance) C4'-P energy: -150.287
bonds (distance) P-C4' energy: -145.604
flat angles C4'-P-C4' energy: -151.095
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -243.806
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2583.388099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.388099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.234776 (E_RNA)
where:
Base-Base interactions energy: -1828.686
where: short stacking energy: -739.325
Base-Backbone interact. energy: -3.010
local terms energy: -761.539144
where:
bonds (distance) C4'-P energy: -130.576
bonds (distance) P-C4' energy: -144.107
flat angles C4'-P-C4' energy: -155.943
flat angles P-C4'-P energy: -101.257
tors. eta vs tors. theta energy: -229.657
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: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2534.007185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.007185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.653737 (E_RNA)
where:
Base-Base interactions energy: -1782.176
where: short stacking energy: -739.582
Base-Backbone interact. energy: -1.840
local terms energy: -752.637778
where:
bonds (distance) C4'-P energy: -132.803
bonds (distance) P-C4' energy: -132.218
flat angles C4'-P-C4' energy: -153.729
flat angles P-C4'-P energy: -100.537
tors. eta vs tors. theta energy: -233.350
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2442.371756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.371756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.797386 (E_RNA)
where:
Base-Base interactions energy: -1702.709
where: short stacking energy: -717.134
Base-Backbone interact. energy: -0.253
local terms energy: -757.835409
where:
bonds (distance) C4'-P energy: -148.216
bonds (distance) P-C4' energy: -131.684
flat angles C4'-P-C4' energy: -152.880
flat angles P-C4'-P energy: -93.051
tors. eta vs tors. theta energy: -232.004
Dist. restrs. and SS energy: 18.426 (S_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: 95
Temperature: 1.150000
Total energy: -2323.031187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.031187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.528936 (E_RNA)
where:
Base-Base interactions energy: -1664.544
where: short stacking energy: -677.826
Base-Backbone interact. energy: -0.940
local terms energy: -671.045504
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -120.863
flat angles C4'-P-C4' energy: -139.261
flat angles P-C4'-P energy: -104.100
tors. eta vs tors. theta energy: -207.109
Dist. restrs. and SS energy: 13.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2273.928015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.928015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.246309 (E_RNA)
where:
Base-Base interactions energy: -1633.756
where: short stacking energy: -663.432
Base-Backbone interact. energy: -2.833
local terms energy: -654.657337
where:
bonds (distance) C4'-P energy: -129.353
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -139.395
flat angles P-C4'-P energy: -82.997
tors. eta vs tors. theta energy: -196.479
Dist. restrs. and SS energy: 17.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2181.805089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.805089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.993548 (E_RNA)
where:
Base-Base interactions energy: -1554.095
where: short stacking energy: -623.099
Base-Backbone interact. energy: -2.130
local terms energy: -641.768889
where:
bonds (distance) C4'-P energy: -104.823
bonds (distance) P-C4' energy: -123.120
flat angles C4'-P-C4' energy: -141.782
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -192.714
Dist. restrs. and SS energy: 16.188 (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: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -2115.867086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.867086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.974330 (E_RNA)
where:
Base-Base interactions energy: -1518.746
where: short stacking energy: -624.942
Base-Backbone interact. energy: -2.939
local terms energy: -620.289500
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -112.050
flat angles C4'-P-C4' energy: -143.080
flat angles P-C4'-P energy: -76.309
tors. eta vs tors. theta energy: -192.073
Dist. restrs. and SS energy: 26.107 (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: 95
Temperature: 1.350000
Total energy: -1818.535182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.535182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.359838 (E_RNA)
where:
Base-Base interactions energy: -1302.278
where: short stacking energy: -531.711
Base-Backbone interact. energy: 1.809
local terms energy: -554.890169
where:
bonds (distance) C4'-P energy: -97.180
bonds (distance) P-C4' energy: -117.929
flat angles C4'-P-C4' energy: -129.004
flat angles P-C4'-P energy: -57.375
tors. eta vs tors. theta energy: -153.402
Dist. restrs. and SS energy: 36.825 (S_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: 96
Temperature: 0.900000
Total energy: -2754.826515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.826515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.212837 (E_RNA)
where:
Base-Base interactions energy: -1937.158
where: short stacking energy: -815.303
Base-Backbone interact. energy: -2.697
local terms energy: -825.358795
where:
bonds (distance) C4'-P energy: -150.047
bonds (distance) P-C4' energy: -154.049
flat angles C4'-P-C4' energy: -153.653
flat angles P-C4'-P energy: -123.380
tors. eta vs tors. theta energy: -244.231
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2669.168177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.168177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.762233 (E_RNA)
where:
Base-Base interactions energy: -1901.334
where: short stacking energy: -777.760
Base-Backbone interact. energy: -4.190
local terms energy: -775.237517
where:
bonds (distance) C4'-P energy: -131.239
bonds (distance) P-C4' energy: -131.098
flat angles C4'-P-C4' energy: -169.586
flat angles P-C4'-P energy: -108.290
tors. eta vs tors. theta energy: -235.024
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: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2579.953884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.953884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.921842 (E_RNA)
where:
Base-Base interactions energy: -1855.223
where: short stacking energy: -760.972
Base-Backbone interact. energy: -2.195
local terms energy: -730.504261
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -141.457
flat angles C4'-P-C4' energy: -151.960
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -222.744
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2541.228290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.228290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.915380 (E_RNA)
where:
Base-Base interactions energy: -1819.137
where: short stacking energy: -745.585
Base-Backbone interact. energy: 1.039
local terms energy: -726.818059
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -147.655
flat angles P-C4'-P energy: -110.460
tors. eta vs tors. theta energy: -237.291
Dist. restrs. and SS energy: 3.687 (S_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: 96
Temperature: 1.100000
Total energy: -2380.028626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.028626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.975640 (E_RNA)
where:
Base-Base interactions energy: -1706.739
where: short stacking energy: -671.892
Base-Backbone interact. energy: 2.867
local terms energy: -685.104051
where:
bonds (distance) C4'-P energy: -105.973
bonds (distance) P-C4' energy: -117.286
flat angles C4'-P-C4' energy: -158.084
flat angles P-C4'-P energy: -95.845
tors. eta vs tors. theta energy: -207.915
Dist. restrs. and SS energy: 8.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2382.394360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.394360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.602638 (E_RNA)
where:
Base-Base interactions energy: -1685.996
where: short stacking energy: -702.333
Base-Backbone interact. energy: -2.190
local terms energy: -711.416098
where:
bonds (distance) C4'-P energy: -107.899
bonds (distance) P-C4' energy: -133.317
flat angles C4'-P-C4' energy: -145.021
flat angles P-C4'-P energy: -95.253
tors. eta vs tors. theta energy: -229.925
Dist. restrs. and SS energy: 17.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2292.557347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.557347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.333229 (E_RNA)
where:
Base-Base interactions energy: -1654.091
where: short stacking energy: -662.066
Base-Backbone interact. energy: 8.654
local terms energy: -660.896289
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -123.646
flat angles C4'-P-C4' energy: -142.089
flat angles P-C4'-P energy: -86.793
tors. eta vs tors. theta energy: -207.904
Dist. restrs. and SS energy: 13.776 (S_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: 96
Temperature: 1.250000
Total energy: -2150.056432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.056432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.006561 (E_RNA)
where:
Base-Base interactions energy: -1550.243
where: short stacking energy: -629.231
Base-Backbone interact. energy: -1.145
local terms energy: -616.617643
where:
bonds (distance) C4'-P energy: -100.508
bonds (distance) P-C4' energy: -107.255
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -89.317
tors. eta vs tors. theta energy: -185.192
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: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -2137.584190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.584190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.074765 (E_RNA)
where:
Base-Base interactions energy: -1513.266
where: short stacking energy: -614.274
Base-Backbone interact. energy: -3.158
local terms energy: -642.651224
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -113.674
flat angles C4'-P-C4' energy: -137.839
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -188.306
Dist. restrs. and SS energy: 21.491 (S_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: -1840.492547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.492547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.805239 (E_RNA)
where:
Base-Base interactions energy: -1329.927
where: short stacking energy: -556.784
Base-Backbone interact. energy: 0.372
local terms energy: -545.251004
where:
bonds (distance) C4'-P energy: -108.181
bonds (distance) P-C4' energy: -86.860
flat angles C4'-P-C4' energy: -110.572
flat angles P-C4'-P energy: -74.686
tors. eta vs tors. theta energy: -164.952
Dist. restrs. and SS energy: 34.313 (S_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: 97
Temperature: 0.900000
Total energy: -2702.013578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.013578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.118553 (E_RNA)
where:
Base-Base interactions energy: -1920.006
where: short stacking energy: -784.959
Base-Backbone interact. energy: -1.045
local terms energy: -792.067060
where:
bonds (distance) C4'-P energy: -134.938
bonds (distance) P-C4' energy: -133.345
flat angles C4'-P-C4' energy: -171.455
flat angles P-C4'-P energy: -112.917
tors. eta vs tors. theta energy: -239.412
Dist. restrs. and SS energy: 11.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2663.524169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.524169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.948686 (E_RNA)
where:
Base-Base interactions energy: -1883.266
where: short stacking energy: -785.693
Base-Backbone interact. energy: -3.710
local terms energy: -788.972228
where:
bonds (distance) C4'-P energy: -132.802
bonds (distance) P-C4' energy: -141.660
flat angles C4'-P-C4' energy: -155.716
flat angles P-C4'-P energy: -119.174
tors. eta vs tors. theta energy: -239.621
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2571.853896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.853896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.187014 (E_RNA)
where:
Base-Base interactions energy: -1835.144
where: short stacking energy: -769.962
Base-Backbone interact. energy: -4.656
local terms energy: -738.386896
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -127.350
flat angles C4'-P-C4' energy: -145.455
flat angles P-C4'-P energy: -108.739
tors. eta vs tors. theta energy: -226.705
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2539.068284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.068284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.273671 (E_RNA)
where:
Base-Base interactions energy: -1794.209
where: short stacking energy: -722.847
Base-Backbone interact. energy: -2.608
local terms energy: -745.457614
where:
bonds (distance) C4'-P energy: -127.075
bonds (distance) P-C4' energy: -126.036
flat angles C4'-P-C4' energy: -164.170
flat angles P-C4'-P energy: -99.861
tors. eta vs tors. theta energy: -228.316
Dist. restrs. and SS energy: 3.205 (S_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: 97
Temperature: 1.100000
Total energy: -2391.274876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.274876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.220514 (E_RNA)
where:
Base-Base interactions energy: -1699.654
where: short stacking energy: -695.101
Base-Backbone interact. energy: -0.646
local terms energy: -696.920816
where:
bonds (distance) C4'-P energy: -130.372
bonds (distance) P-C4' energy: -111.559
flat angles C4'-P-C4' energy: -159.029
flat angles P-C4'-P energy: -89.753
tors. eta vs tors. theta energy: -206.208
Dist. restrs. and SS energy: 5.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2359.783938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.783938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.053007 (E_RNA)
where:
Base-Base interactions energy: -1687.815
where: short stacking energy: -710.321
Base-Backbone interact. energy: -2.137
local terms energy: -689.100740
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -116.963
flat angles C4'-P-C4' energy: -147.786
flat angles P-C4'-P energy: -95.683
tors. eta vs tors. theta energy: -220.416
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: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2246.748828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.748828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.153773 (E_RNA)
where:
Base-Base interactions energy: -1603.315
where: short stacking energy: -655.433
Base-Backbone interact. energy: 3.368
local terms energy: -674.207441
where:
bonds (distance) C4'-P energy: -128.413
bonds (distance) P-C4' energy: -110.330
flat angles C4'-P-C4' energy: -131.635
flat angles P-C4'-P energy: -94.506
tors. eta vs tors. theta energy: -209.323
Dist. restrs. and SS energy: 27.405 (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: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2153.633826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.633826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.886956 (E_RNA)
where:
Base-Base interactions energy: -1532.511
where: short stacking energy: -619.948
Base-Backbone interact. energy: -2.148
local terms energy: -641.228054
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -111.066
flat angles C4'-P-C4' energy: -126.465
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -197.117
Dist. restrs. and SS energy: 22.253 (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: 97
Temperature: 1.300000
Total energy: -2089.250701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.250701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.731764 (E_RNA)
where:
Base-Base interactions energy: -1497.524
where: short stacking energy: -610.343
Base-Backbone interact. energy: -1.490
local terms energy: -610.717660
where:
bonds (distance) C4'-P energy: -97.392
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -129.004
flat angles P-C4'-P energy: -75.899
tors. eta vs tors. theta energy: -187.765
Dist. restrs. and SS energy: 20.481 (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: 97
Temperature: 1.350000
Total energy: -1876.414790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.414790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.168997 (E_RNA)
where:
Base-Base interactions energy: -1300.248
where: short stacking energy: -518.172
Base-Backbone interact. energy: -5.348
local terms energy: -591.572815
where:
bonds (distance) C4'-P energy: -125.581
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -81.631
tors. eta vs tors. theta energy: -156.975
Dist. restrs. and SS energy: 20.754 (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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2693.926900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.926900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.827138 (E_RNA)
where:
Base-Base interactions energy: -1918.084
where: short stacking energy: -792.466
Base-Backbone interact. energy: -1.613
local terms energy: -784.130130
where:
bonds (distance) C4'-P energy: -144.340
bonds (distance) P-C4' energy: -137.843
flat angles C4'-P-C4' energy: -166.614
flat angles P-C4'-P energy: -98.549
tors. eta vs tors. theta energy: -236.784
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: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2660.734916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.734916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.871067 (E_RNA)
where:
Base-Base interactions energy: -1897.405
where: short stacking energy: -754.626
Base-Backbone interact. energy: 0.348
local terms energy: -771.814187
where:
bonds (distance) C4'-P energy: -120.782
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -164.459
flat angles P-C4'-P energy: -112.756
tors. eta vs tors. theta energy: -239.456
Dist. restrs. and SS energy: 8.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2576.893936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.893936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.240440 (E_RNA)
where:
Base-Base interactions energy: -1823.420
where: short stacking energy: -713.046
Base-Backbone interact. energy: -0.707
local terms energy: -764.113281
where:
bonds (distance) C4'-P energy: -128.110
bonds (distance) P-C4' energy: -143.435
flat angles C4'-P-C4' energy: -160.723
flat angles P-C4'-P energy: -105.467
tors. eta vs tors. theta energy: -226.378
Dist. restrs. and SS energy: 11.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2540.419625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.419625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.301513 (E_RNA)
where:
Base-Base interactions energy: -1793.416
where: short stacking energy: -741.739
Base-Backbone interact. energy: -1.501
local terms energy: -748.384348
where:
bonds (distance) C4'-P energy: -121.483
bonds (distance) P-C4' energy: -122.244
flat angles C4'-P-C4' energy: -167.269
flat angles P-C4'-P energy: -113.317
tors. eta vs tors. theta energy: -224.072
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2436.798219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.798219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.682574 (E_RNA)
where:
Base-Base interactions energy: -1752.571
where: short stacking energy: -724.016
Base-Backbone interact. energy: -0.240
local terms energy: -694.871359
where:
bonds (distance) C4'-P energy: -115.205
bonds (distance) P-C4' energy: -117.534
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -89.197
tors. eta vs tors. theta energy: -227.344
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: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2332.679628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.679628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.110696 (E_RNA)
where:
Base-Base interactions energy: -1670.593
where: short stacking energy: -664.396
Base-Backbone interact. energy: -3.204
local terms energy: -670.313693
where:
bonds (distance) C4'-P energy: -112.094
bonds (distance) P-C4' energy: -114.632
flat angles C4'-P-C4' energy: -139.482
flat angles P-C4'-P energy: -94.547
tors. eta vs tors. theta energy: -209.560
Dist. restrs. and SS energy: 11.431 (S_DIST_RNA)
chem. 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: -2233.829281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.829281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.608902 (E_RNA)
where:
Base-Base interactions energy: -1583.915
where: short stacking energy: -652.564
Base-Backbone interact. energy: -1.430
local terms energy: -666.263977
where:
bonds (distance) C4'-P energy: -127.958
bonds (distance) P-C4' energy: -113.266
flat angles C4'-P-C4' energy: -146.343
flat angles P-C4'-P energy: -85.797
tors. eta vs tors. theta energy: -192.901
Dist. restrs. and SS energy: 17.780 (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: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2133.668737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.668737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.361672 (E_RNA)
where:
Base-Base interactions energy: -1509.965
where: short stacking energy: -607.636
Base-Backbone interact. energy: 3.145
local terms energy: -647.542033
where:
bonds (distance) C4'-P energy: -118.389
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -136.785
flat angles P-C4'-P energy: -82.150
tors. eta vs tors. theta energy: -190.973
Dist. restrs. and SS energy: 20.693 (S_DIST_RNA)
chem. 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: -2078.362761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.362761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.936074 (E_RNA)
where:
Base-Base interactions energy: -1510.284
where: short stacking energy: -617.534
Base-Backbone interact. energy: 0.912
local terms energy: -587.564512
where:
bonds (distance) C4'-P energy: -112.039
bonds (distance) P-C4' energy: -79.103
flat angles C4'-P-C4' energy: -129.480
flat angles P-C4'-P energy: -84.692
tors. eta vs tors. theta energy: -182.250
Dist. restrs. and SS energy: 18.573 (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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1891.277905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.277905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.999227 (E_RNA)
where:
Base-Base interactions energy: -1354.894
where: short stacking energy: -548.381
Base-Backbone interact. energy: -2.692
local terms energy: -558.412715
where:
bonds (distance) C4'-P energy: -95.562
bonds (distance) P-C4' energy: -94.570
flat angles C4'-P-C4' energy: -123.777
flat angles P-C4'-P energy: -83.451
tors. eta vs tors. theta energy: -161.052
Dist. restrs. and SS energy: 24.721 (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: 99
Temperature: 0.900000
Total energy: -2699.279831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.279831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.242125 (E_RNA)
where:
Base-Base interactions energy: -1911.250
where: short stacking energy: -777.024
Base-Backbone interact. energy: 0.107
local terms energy: -799.098862
where:
bonds (distance) C4'-P energy: -145.900
bonds (distance) P-C4' energy: -145.615
flat angles C4'-P-C4' energy: -154.852
flat angles P-C4'-P energy: -114.293
tors. eta vs tors. theta energy: -238.439
Dist. restrs. and SS energy: 10.962 (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: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2632.440419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.440419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.481892 (E_RNA)
where:
Base-Base interactions energy: -1865.029
where: short stacking energy: -749.278
Base-Backbone interact. energy: -4.241
local terms energy: -773.211322
where:
bonds (distance) C4'-P energy: -140.511
bonds (distance) P-C4' energy: -138.029
flat angles C4'-P-C4' energy: -159.182
flat angles P-C4'-P energy: -107.009
tors. eta vs tors. theta energy: -228.480
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2575.043452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.043452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.123265 (E_RNA)
where:
Base-Base interactions energy: -1838.513
where: short stacking energy: -738.251
Base-Backbone interact. energy: 1.762
local terms energy: -745.371956
where:
bonds (distance) C4'-P energy: -128.289
bonds (distance) P-C4' energy: -122.348
flat angles C4'-P-C4' energy: -164.135
flat angles P-C4'-P energy: -103.089
tors. eta vs tors. theta energy: -227.511
Dist. restrs. and SS energy: 7.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2555.585484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.585484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.075037 (E_RNA)
where:
Base-Base interactions energy: -1800.841
where: short stacking energy: -736.435
Base-Backbone interact. energy: -0.078
local terms energy: -758.155568
where:
bonds (distance) C4'-P energy: -140.359
bonds (distance) P-C4' energy: -133.285
flat angles C4'-P-C4' energy: -152.682
flat angles P-C4'-P energy: -108.163
tors. eta vs tors. theta energy: -223.667
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2432.604910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.604910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.221266 (E_RNA)
where:
Base-Base interactions energy: -1721.706
where: short stacking energy: -694.517
Base-Backbone interact. energy: -2.430
local terms energy: -725.085300
where:
bonds (distance) C4'-P energy: -125.005
bonds (distance) P-C4' energy: -139.913
flat angles C4'-P-C4' energy: -148.825
flat angles P-C4'-P energy: -95.895
tors. eta vs tors. theta energy: -215.447
Dist. restrs. and SS energy: 16.616 (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: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2352.031959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.031959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.501255 (E_RNA)
where:
Base-Base interactions energy: -1669.734
where: short stacking energy: -685.502
Base-Backbone interact. energy: -2.785
local terms energy: -697.981855
where:
bonds (distance) C4'-P energy: -101.067
bonds (distance) P-C4' energy: -132.778
flat angles C4'-P-C4' energy: -145.373
flat angles P-C4'-P energy: -108.347
tors. eta vs tors. theta energy: -210.416
Dist. restrs. and SS energy: 18.469 (S_DIST_RNA)
chem. 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: -2220.695196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.695196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.734373 (E_RNA)
where:
Base-Base interactions energy: -1554.332
where: short stacking energy: -656.677
Base-Backbone interact. energy: -1.931
local terms energy: -681.471768
where:
bonds (distance) C4'-P energy: -125.315
bonds (distance) P-C4' energy: -118.813
flat angles C4'-P-C4' energy: -141.002
flat angles P-C4'-P energy: -80.802
tors. eta vs tors. theta energy: -215.540
Dist. restrs. and SS energy: 17.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2135.333262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.333262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.897616 (E_RNA)
where:
Base-Base interactions energy: -1489.297
where: short stacking energy: -627.159
Base-Backbone interact. energy: 0.149
local terms energy: -664.749658
where:
bonds (distance) C4'-P energy: -132.855
bonds (distance) P-C4' energy: -125.232
flat angles C4'-P-C4' energy: -134.222
flat angles P-C4'-P energy: -79.561
tors. eta vs tors. theta energy: -192.880
Dist. restrs. and SS energy: 18.564 (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: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -2053.077646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.077646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.673827 (E_RNA)
where:
Base-Base interactions energy: -1457.248
where: short stacking energy: -587.325
Base-Backbone interact. energy: 2.931
local terms energy: -616.356035
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -132.343
flat angles P-C4'-P energy: -93.024
tors. eta vs tors. theta energy: -181.222
Dist. restrs. and SS energy: 17.596 (S_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: -1899.087905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.087905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.767487 (E_RNA)
where:
Base-Base interactions energy: -1355.927
where: short stacking energy: -551.145
Base-Backbone interact. energy: 4.322
local terms energy: -574.162175
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -100.289
flat angles C4'-P-C4' energy: -111.715
flat angles P-C4'-P energy: -94.541
tors. eta vs tors. theta energy: -167.984
Dist. restrs. and SS energy: 26.680 (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: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2720.648865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.648865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.670333 (E_RNA)
where:
Base-Base interactions energy: -1928.346
where: short stacking energy: -796.466
Base-Backbone interact. energy: -0.083
local terms energy: -799.241894
where:
bonds (distance) C4'-P energy: -126.213
bonds (distance) P-C4' energy: -149.258
flat angles C4'-P-C4' energy: -163.475
flat angles P-C4'-P energy: -119.453
tors. eta vs tors. theta energy: -240.842
Dist. restrs. and SS energy: 7.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2634.376775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.376775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.038371 (E_RNA)
where:
Base-Base interactions energy: -1850.447
where: short stacking energy: -775.200
Base-Backbone interact. energy: -3.320
local terms energy: -792.270747
where:
bonds (distance) C4'-P energy: -146.891
bonds (distance) P-C4' energy: -141.828
flat angles C4'-P-C4' energy: -158.159
flat angles P-C4'-P energy: -103.723
tors. eta vs tors. theta energy: -241.670
Dist. restrs. and SS energy: 11.662 (S_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: -2569.744594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.744594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.210289 (E_RNA)
where:
Base-Base interactions energy: -1840.262
where: short stacking energy: -741.540
Base-Backbone interact. energy: 0.529
local terms energy: -738.476913
where:
bonds (distance) C4'-P energy: -115.225
bonds (distance) P-C4' energy: -132.733
flat angles C4'-P-C4' energy: -145.268
flat angles P-C4'-P energy: -115.832
tors. eta vs tors. theta energy: -229.419
Dist. restrs. and SS energy: 8.466 (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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2536.139538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.139538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.538902 (E_RNA)
where:
Base-Base interactions energy: -1799.996
where: short stacking energy: -757.694
Base-Backbone interact. energy: -1.964
local terms energy: -736.578743
where:
bonds (distance) C4'-P energy: -99.902
bonds (distance) P-C4' energy: -143.092
flat angles C4'-P-C4' energy: -170.518
flat angles P-C4'-P energy: -101.315
tors. eta vs tors. theta energy: -221.752
Dist. restrs. and SS energy: 2.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2419.000981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.000981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.448939 (E_RNA)
where:
Base-Base interactions energy: -1699.191
where: short stacking energy: -701.716
Base-Backbone interact. energy: 1.009
local terms energy: -737.267274
where:
bonds (distance) C4'-P energy: -141.984
bonds (distance) P-C4' energy: -130.869
flat angles C4'-P-C4' energy: -155.218
flat angles P-C4'-P energy: -103.425
tors. eta vs tors. theta energy: -205.771
Dist. restrs. and SS energy: 16.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2373.898763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.898763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.270332 (E_RNA)
where:
Base-Base interactions energy: -1672.008
where: short stacking energy: -709.095
Base-Backbone interact. energy: -3.029
local terms energy: -719.233880
where:
bonds (distance) C4'-P energy: -141.121
bonds (distance) P-C4' energy: -117.203
flat angles C4'-P-C4' energy: -149.485
flat angles P-C4'-P energy: -90.510
tors. eta vs tors. theta energy: -220.915
Dist. restrs. and SS energy: 20.372 (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: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2246.645174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.645174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.542456 (E_RNA)
where:
Base-Base interactions energy: -1583.366
where: short stacking energy: -626.534
Base-Backbone interact. energy: -2.029
local terms energy: -682.146903
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -120.387
flat angles C4'-P-C4' energy: -150.607
flat angles P-C4'-P energy: -113.098
tors. eta vs tors. theta energy: -205.952
Dist. restrs. and SS energy: 20.897 (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: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2224.661550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.661550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.001368 (E_RNA)
where:
Base-Base interactions energy: -1565.792
where: short stacking energy: -622.986
Base-Backbone interact. energy: -0.253
local terms energy: -681.956041
where:
bonds (distance) C4'-P energy: -125.428
bonds (distance) P-C4' energy: -111.846
flat angles C4'-P-C4' energy: -142.874
flat angles P-C4'-P energy: -103.704
tors. eta vs tors. theta energy: -198.105
Dist. restrs. and SS energy: 23.340 (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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -2038.453394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.453394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.803571 (E_RNA)
where:
Base-Base interactions energy: -1471.904
where: short stacking energy: -598.661
Base-Backbone interact. energy: -4.623
local terms energy: -583.276561
where:
bonds (distance) C4'-P energy: -80.167
bonds (distance) P-C4' energy: -118.140
flat angles C4'-P-C4' energy: -117.204
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -176.704
Dist. restrs. and SS energy: 21.350 (S_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: -1879.957877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.957877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.894607 (E_RNA)
where:
Base-Base interactions energy: -1334.942
where: short stacking energy: -540.531
Base-Backbone interact. energy: -0.115
local terms energy: -566.837573
where:
bonds (distance) C4'-P energy: -114.582
bonds (distance) P-C4' energy: -103.654
flat angles C4'-P-C4' energy: -120.773
flat angles P-C4'-P energy: -77.022
tors. eta vs tors. theta energy: -150.806
Dist. restrs. and SS energy: 21.937 (S_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: 101
Temperature: 0.900000
Total energy: -2712.796696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.796696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.409401 (E_RNA)
where:
Base-Base interactions energy: -1891.436
where: short stacking energy: -792.532
Base-Backbone interact. energy: -3.230
local terms energy: -826.742665
where:
bonds (distance) C4'-P energy: -141.847
bonds (distance) P-C4' energy: -147.258
flat angles C4'-P-C4' energy: -173.661
flat angles P-C4'-P energy: -120.500
tors. eta vs tors. theta energy: -243.477
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2673.221199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.221199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.622537 (E_RNA)
where:
Base-Base interactions energy: -1886.472
where: short stacking energy: -781.227
Base-Backbone interact. energy: 0.640
local terms energy: -797.790798
where:
bonds (distance) C4'-P energy: -129.577
bonds (distance) P-C4' energy: -146.024
flat angles C4'-P-C4' energy: -166.550
flat angles P-C4'-P energy: -113.010
tors. eta vs tors. theta energy: -242.629
Dist. restrs. and SS energy: 10.401 (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: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2578.687575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.687575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.418344 (E_RNA)
where:
Base-Base interactions energy: -1816.817
where: short stacking energy: -744.943
Base-Backbone interact. energy: -1.501
local terms energy: -768.100474
where:
bonds (distance) C4'-P energy: -137.079
bonds (distance) P-C4' energy: -125.417
flat angles C4'-P-C4' energy: -166.302
flat angles P-C4'-P energy: -109.899
tors. eta vs tors. theta energy: -229.403
Dist. restrs. and SS energy: 7.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2518.807692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.807692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.725515 (E_RNA)
where:
Base-Base interactions energy: -1795.851
where: short stacking energy: -735.456
Base-Backbone interact. energy: -1.251
local terms energy: -724.623075
where:
bonds (distance) C4'-P energy: -117.005
bonds (distance) P-C4' energy: -132.007
flat angles C4'-P-C4' energy: -161.708
flat angles P-C4'-P energy: -94.408
tors. eta vs tors. theta energy: -219.496
Dist. restrs. and SS energy: 2.918 (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: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2434.078454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.078454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.833797 (E_RNA)
where:
Base-Base interactions energy: -1735.810
where: short stacking energy: -693.768
Base-Backbone interact. energy: -0.944
local terms energy: -707.079031
where:
bonds (distance) C4'-P energy: -115.314
bonds (distance) P-C4' energy: -137.701
flat angles C4'-P-C4' energy: -154.751
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -203.566
Dist. restrs. and SS energy: 9.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2364.154125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.154125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.580996 (E_RNA)
where:
Base-Base interactions energy: -1678.253
where: short stacking energy: -703.674
Base-Backbone interact. energy: 1.420
local terms energy: -706.747908
where:
bonds (distance) C4'-P energy: -126.555
bonds (distance) P-C4' energy: -119.266
flat angles C4'-P-C4' energy: -136.307
flat angles P-C4'-P energy: -106.835
tors. eta vs tors. theta energy: -217.785
Dist. restrs. and SS energy: 19.427 (S_DIST_RNA)
chem. 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: -2281.567527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.567527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.369978 (E_RNA)
where:
Base-Base interactions energy: -1608.648
where: short stacking energy: -655.044
Base-Backbone interact. energy: -0.826
local terms energy: -685.896201
where:
bonds (distance) C4'-P energy: -120.794
bonds (distance) P-C4' energy: -129.958
flat angles C4'-P-C4' energy: -142.421
flat angles P-C4'-P energy: -94.856
tors. eta vs tors. theta energy: -197.867
Dist. restrs. and SS energy: 13.802 (S_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: 101
Temperature: 1.250000
Total energy: -2142.013625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.013625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.328569 (E_RNA)
where:
Base-Base interactions energy: -1497.182
where: short stacking energy: -597.019
Base-Backbone interact. energy: -1.046
local terms energy: -659.100839
where:
bonds (distance) C4'-P energy: -120.866
bonds (distance) P-C4' energy: -120.468
flat angles C4'-P-C4' energy: -143.825
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -195.964
Dist. restrs. and SS energy: 15.315 (S_DIST_RNA)
chem. 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: -2049.862702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.862702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.626905 (E_RNA)
where:
Base-Base interactions energy: -1447.883
where: short stacking energy: -573.969
Base-Backbone interact. energy: -2.515
local terms energy: -619.228838
where:
bonds (distance) C4'-P energy: -118.239
bonds (distance) P-C4' energy: -131.370
flat angles C4'-P-C4' energy: -122.361
flat angles P-C4'-P energy: -75.376
tors. eta vs tors. theta energy: -171.884
Dist. restrs. and SS energy: 19.764 (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: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1862.136246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.136246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.860683 (E_RNA)
where:
Base-Base interactions energy: -1345.186
where: short stacking energy: -539.987
Base-Backbone interact. energy: -4.782
local terms energy: -547.892549
where:
bonds (distance) C4'-P energy: -106.615
bonds (distance) P-C4' energy: -83.321
flat angles C4'-P-C4' energy: -129.864
flat angles P-C4'-P energy: -68.575
tors. eta vs tors. theta energy: -159.518
Dist. restrs. and SS energy: 35.724 (S_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: 102
Temperature: 0.900000
Total energy: -2719.371534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.371534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.974741 (E_RNA)
where:
Base-Base interactions energy: -1902.824
where: short stacking energy: -803.441
Base-Backbone interact. energy: -2.932
local terms energy: -820.218851
where:
bonds (distance) C4'-P energy: -150.348
bonds (distance) P-C4' energy: -138.672
flat angles C4'-P-C4' energy: -168.735
flat angles P-C4'-P energy: -118.626
tors. eta vs tors. theta energy: -243.839
Dist. restrs. and SS energy: 6.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2635.440716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.440716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.318378 (E_RNA)
where:
Base-Base interactions energy: -1872.239
where: short stacking energy: -761.655
Base-Backbone interact. energy: -1.744
local terms energy: -773.335765
where:
bonds (distance) C4'-P energy: -129.887
bonds (distance) P-C4' energy: -136.327
flat angles C4'-P-C4' energy: -154.560
flat angles P-C4'-P energy: -116.090
tors. eta vs tors. theta energy: -236.472
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: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2582.272082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.272082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.803878 (E_RNA)
where:
Base-Base interactions energy: -1831.481
where: short stacking energy: -740.492
Base-Backbone interact. energy: 1.231
local terms energy: -759.553577
where:
bonds (distance) C4'-P energy: -136.173
bonds (distance) P-C4' energy: -136.257
flat angles C4'-P-C4' energy: -159.189
flat angles P-C4'-P energy: -96.838
tors. eta vs tors. theta energy: -231.097
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2548.262180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.262180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.216231 (E_RNA)
where:
Base-Base interactions energy: -1791.121
where: short stacking energy: -715.654
Base-Backbone interact. energy: -2.942
local terms energy: -757.152799
where:
bonds (distance) C4'-P energy: -136.689
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -154.221
flat angles P-C4'-P energy: -101.385
tors. eta vs tors. theta energy: -232.211
Dist. restrs. and SS energy: 2.954 (S_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: 102
Temperature: 1.100000
Total energy: -2421.521701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.521701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.682231 (E_RNA)
where:
Base-Base interactions energy: -1737.794
where: short stacking energy: -698.971
Base-Backbone interact. energy: 0.143
local terms energy: -699.030961
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -120.611
flat angles C4'-P-C4' energy: -140.408
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -216.908
Dist. restrs. and SS energy: 15.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2344.650692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.650692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.888072 (E_RNA)
where:
Base-Base interactions energy: -1667.347
where: short stacking energy: -685.651
Base-Backbone interact. energy: -0.609
local terms energy: -696.932877
where:
bonds (distance) C4'-P energy: -122.718
bonds (distance) P-C4' energy: -133.341
flat angles C4'-P-C4' energy: -139.727
flat angles P-C4'-P energy: -94.749
tors. eta vs tors. theta energy: -206.399
Dist. restrs. and SS energy: 20.237 (S_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: 102
Temperature: 1.200000
Total energy: -2248.934374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.934374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.165747 (E_RNA)
where:
Base-Base interactions energy: -1581.640
where: short stacking energy: -648.963
Base-Backbone interact. energy: -4.521
local terms energy: -673.005155
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -144.181
flat angles P-C4'-P energy: -100.919
tors. eta vs tors. theta energy: -198.816
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2206.799424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.799424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.831129 (E_RNA)
where:
Base-Base interactions energy: -1565.592
where: short stacking energy: -624.073
Base-Backbone interact. energy: 3.003
local terms energy: -658.242539
where:
bonds (distance) C4'-P energy: -111.897
bonds (distance) P-C4' energy: -131.267
flat angles C4'-P-C4' energy: -132.499
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -197.848
Dist. restrs. and SS energy: 14.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -2066.172827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.172827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.462446 (E_RNA)
where:
Base-Base interactions energy: -1487.499
where: short stacking energy: -591.440
Base-Backbone interact. energy: 4.696
local terms energy: -595.660104
where:
bonds (distance) C4'-P energy: -87.101
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -143.987
flat angles P-C4'-P energy: -99.280
tors. eta vs tors. theta energy: -159.694
Dist. restrs. and SS energy: 12.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1840.381474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.381474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.197762 (E_RNA)
where:
Base-Base interactions energy: -1325.481
where: short stacking energy: -548.829
Base-Backbone interact. energy: 5.786
local terms energy: -561.502681
where:
bonds (distance) C4'-P energy: -111.434
bonds (distance) P-C4' energy: -75.338
flat angles C4'-P-C4' energy: -132.404
flat angles P-C4'-P energy: -87.534
tors. eta vs tors. theta energy: -154.793
Dist. restrs. and SS energy: 40.816 (S_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: 103
Temperature: 0.900000
Total energy: -2739.087379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.087379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.147331 (E_RNA)
where:
Base-Base interactions energy: -1923.296
where: short stacking energy: -809.305
Base-Backbone interact. energy: -2.196
local terms energy: -818.655568
where:
bonds (distance) C4'-P energy: -133.717
bonds (distance) P-C4' energy: -137.452
flat angles C4'-P-C4' energy: -167.143
flat angles P-C4'-P energy: -124.956
tors. eta vs tors. theta energy: -255.388
Dist. restrs. and SS energy: 5.060 (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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2648.575993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.575993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.814990 (E_RNA)
where:
Base-Base interactions energy: -1854.994
where: short stacking energy: -758.858
Base-Backbone interact. energy: -1.429
local terms energy: -802.391781
where:
bonds (distance) C4'-P energy: -149.669
bonds (distance) P-C4' energy: -140.738
flat angles C4'-P-C4' energy: -160.040
flat angles P-C4'-P energy: -116.839
tors. eta vs tors. theta energy: -235.106
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2616.845338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.845338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.598276 (E_RNA)
where:
Base-Base interactions energy: -1854.001
where: short stacking energy: -751.873
Base-Backbone interact. energy: -4.370
local terms energy: -766.227220
where:
bonds (distance) C4'-P energy: -130.912
bonds (distance) P-C4' energy: -130.482
flat angles C4'-P-C4' energy: -160.279
flat angles P-C4'-P energy: -115.028
tors. eta vs tors. theta energy: -229.526
Dist. restrs. and SS energy: 7.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2555.522093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.522093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.141897 (E_RNA)
where:
Base-Base interactions energy: -1799.085
where: short stacking energy: -732.375
Base-Backbone interact. energy: -1.974
local terms energy: -758.082741
where:
bonds (distance) C4'-P energy: -141.199
bonds (distance) P-C4' energy: -126.317
flat angles C4'-P-C4' energy: -156.271
flat angles P-C4'-P energy: -97.087
tors. eta vs tors. theta energy: -237.209
Dist. restrs. and SS energy: 3.620 (S_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: 103
Temperature: 1.100000
Total energy: -2430.798304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.798304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.627539 (E_RNA)
where:
Base-Base interactions energy: -1731.494
where: short stacking energy: -693.340
Base-Backbone interact. energy: -3.512
local terms energy: -703.621624
where:
bonds (distance) C4'-P energy: -110.590
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -147.301
flat angles P-C4'-P energy: -89.325
tors. eta vs tors. theta energy: -220.790
Dist. restrs. and SS energy: 7.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2327.996426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.996426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.555723 (E_RNA)
where:
Base-Base interactions energy: -1679.201
where: short stacking energy: -684.746
Base-Backbone interact. energy: -0.593
local terms energy: -661.761651
where:
bonds (distance) C4'-P energy: -108.031
bonds (distance) P-C4' energy: -102.019
flat angles C4'-P-C4' energy: -144.699
flat angles P-C4'-P energy: -93.688
tors. eta vs tors. theta energy: -213.325
Dist. restrs. and SS energy: 13.559 (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: 103
Temperature: 1.200000
Total energy: -2299.666642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.666642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.950746 (E_RNA)
where:
Base-Base interactions energy: -1667.686
where: short stacking energy: -683.946
Base-Backbone interact. energy: -0.062
local terms energy: -652.202731
where:
bonds (distance) C4'-P energy: -98.712
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -154.609
flat angles P-C4'-P energy: -96.231
tors. eta vs tors. theta energy: -199.302
Dist. restrs. and SS energy: 20.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2191.230941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.935895 (E_RNA)
where:
Base-Base interactions energy: -1573.876
where: short stacking energy: -634.715
Base-Backbone interact. energy: 1.556
local terms energy: -632.615279
where:
bonds (distance) C4'-P energy: -118.990
bonds (distance) P-C4' energy: -106.014
flat angles C4'-P-C4' energy: -137.655
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -196.463
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: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -2081.489048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.489048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.174943 (E_RNA)
where:
Base-Base interactions energy: -1492.875
where: short stacking energy: -587.012
Base-Backbone interact. energy: 6.683
local terms energy: -610.983379
where:
bonds (distance) C4'-P energy: -93.542
bonds (distance) P-C4' energy: -114.625
flat angles C4'-P-C4' energy: -133.171
flat angles P-C4'-P energy: -84.897
tors. eta vs tors. theta energy: -184.748
Dist. restrs. and SS energy: 15.686 (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: 103
Temperature: 1.350000
Total energy: -1875.092783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.092783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.425217 (E_RNA)
where:
Base-Base interactions energy: -1327.607
where: short stacking energy: -516.580
Base-Backbone interact. energy: -2.850
local terms energy: -568.967642
where:
bonds (distance) C4'-P energy: -100.458
bonds (distance) P-C4' energy: -114.723
flat angles C4'-P-C4' energy: -125.809
flat angles P-C4'-P energy: -67.026
tors. eta vs tors. theta energy: -160.952
Dist. restrs. and SS energy: 24.332 (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: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2702.293443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.293443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.777236 (E_RNA)
where:
Base-Base interactions energy: -1891.440
where: short stacking energy: -776.111
Base-Backbone interact. energy: -2.779
local terms energy: -813.557887
where:
bonds (distance) C4'-P energy: -155.249
bonds (distance) P-C4' energy: -143.872
flat angles C4'-P-C4' energy: -165.842
flat angles P-C4'-P energy: -112.191
tors. eta vs tors. theta energy: -236.404
Dist. restrs. and SS energy: 5.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2658.940845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.940845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.653800 (E_RNA)
where:
Base-Base interactions energy: -1883.893
where: short stacking energy: -769.572
Base-Backbone interact. energy: -5.104
local terms energy: -780.657429
where:
bonds (distance) C4'-P energy: -130.075
bonds (distance) P-C4' energy: -138.183
flat angles C4'-P-C4' energy: -163.142
flat angles P-C4'-P energy: -119.511
tors. eta vs tors. theta energy: -229.746
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: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2615.005747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.005747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.721598 (E_RNA)
where:
Base-Base interactions energy: -1841.191
where: short stacking energy: -746.317
Base-Backbone interact. energy: -1.435
local terms energy: -780.095676
where:
bonds (distance) C4'-P energy: -135.564
bonds (distance) P-C4' energy: -142.014
flat angles C4'-P-C4' energy: -153.209
flat angles P-C4'-P energy: -111.926
tors. eta vs tors. theta energy: -237.383
Dist. restrs. and SS energy: 7.716 (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: 104
Temperature: 1.050000
Total energy: -2551.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.639075 (E_RNA)
where:
Base-Base interactions energy: -1809.654
where: short stacking energy: -754.789
Base-Backbone interact. energy: -2.391
local terms energy: -744.593608
where:
bonds (distance) C4'-P energy: -134.917
bonds (distance) P-C4' energy: -118.046
flat angles C4'-P-C4' energy: -166.804
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -231.572
Dist. restrs. and SS energy: 5.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2413.511147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.511147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.466279 (E_RNA)
where:
Base-Base interactions energy: -1712.248
where: short stacking energy: -687.625
Base-Backbone interact. energy: -0.952
local terms energy: -711.266289
where:
bonds (distance) C4'-P energy: -120.653
bonds (distance) P-C4' energy: -131.081
flat angles C4'-P-C4' energy: -153.689
flat angles P-C4'-P energy: -92.117
tors. eta vs tors. theta energy: -213.726
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: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2367.885137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.885137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.064024 (E_RNA)
where:
Base-Base interactions energy: -1686.733
where: short stacking energy: -665.714
Base-Backbone interact. energy: 1.876
local terms energy: -697.207083
where:
bonds (distance) C4'-P energy: -121.097
bonds (distance) P-C4' energy: -118.323
flat angles C4'-P-C4' energy: -144.461
flat angles P-C4'-P energy: -97.383
tors. eta vs tors. theta energy: -215.943
Dist. restrs. and SS energy: 14.179 (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: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2216.610950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.610950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.225260 (E_RNA)
where:
Base-Base interactions energy: -1584.179
where: short stacking energy: -632.372
Base-Backbone interact. energy: -3.466
local terms energy: -644.580998
where:
bonds (distance) C4'-P energy: -118.063
bonds (distance) P-C4' energy: -111.262
flat angles C4'-P-C4' energy: -135.851
flat angles P-C4'-P energy: -92.873
tors. eta vs tors. theta energy: -186.532
Dist. restrs. and SS energy: 15.614 (S_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: 104
Temperature: 1.250000
Total energy: -2173.437469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.437469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.557535 (E_RNA)
where:
Base-Base interactions energy: -1547.824
where: short stacking energy: -612.476
Base-Backbone interact. energy: -2.631
local terms energy: -634.102669
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -135.266
flat angles P-C4'-P energy: -88.735
tors. eta vs tors. theta energy: -193.062
Dist. restrs. and SS energy: 11.120 (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: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -2131.041589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.041589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.160099 (E_RNA)
where:
Base-Base interactions energy: -1519.358
where: short stacking energy: -599.435
Base-Backbone interact. energy: -1.062
local terms energy: -627.739635
where:
bonds (distance) C4'-P energy: -113.941
bonds (distance) P-C4' energy: -122.534
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -87.856
tors. eta vs tors. theta energy: -171.132
Dist. restrs. and SS energy: 17.119 (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: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1871.957973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.957973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.466899 (E_RNA)
where:
Base-Base interactions energy: -1319.511
where: short stacking energy: -549.159
Base-Backbone interact. energy: -1.556
local terms energy: -577.400070
where:
bonds (distance) C4'-P energy: -97.715
bonds (distance) P-C4' energy: -101.555
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -87.883
tors. eta vs tors. theta energy: -157.988
Dist. restrs. and SS energy: 26.509 (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: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2735.054066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.054066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.040349 (E_RNA)
where:
Base-Base interactions energy: -1904.282
where: short stacking energy: -797.667
Base-Backbone interact. energy: -2.232
local terms energy: -830.525626
where:
bonds (distance) C4'-P energy: -144.028
bonds (distance) P-C4' energy: -149.644
flat angles C4'-P-C4' energy: -173.988
flat angles P-C4'-P energy: -120.806
tors. eta vs tors. theta energy: -242.059
Dist. restrs. and SS energy: 1.986 (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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2650.965098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.965098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.586029 (E_RNA)
where:
Base-Base interactions energy: -1889.852
where: short stacking energy: -769.910
Base-Backbone interact. energy: -4.095
local terms energy: -767.638988
where:
bonds (distance) C4'-P energy: -133.691
bonds (distance) P-C4' energy: -121.769
flat angles C4'-P-C4' energy: -168.861
flat angles P-C4'-P energy: -109.324
tors. eta vs tors. theta energy: -233.993
Dist. restrs. and SS energy: 10.621 (S_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: 105
Temperature: 1.000000
Total energy: -2589.406078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.406078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.845674 (E_RNA)
where:
Base-Base interactions energy: -1845.663
where: short stacking energy: -761.654
Base-Backbone interact. energy: -1.401
local terms energy: -748.782407
where:
bonds (distance) C4'-P energy: -117.423
bonds (distance) P-C4' energy: -127.898
flat angles C4'-P-C4' energy: -161.135
flat angles P-C4'-P energy: -105.946
tors. eta vs tors. theta energy: -236.381
Dist. restrs. and SS energy: 6.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2527.637011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.637011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.110247 (E_RNA)
where:
Base-Base interactions energy: -1782.334
where: short stacking energy: -735.846
Base-Backbone interact. energy: 1.620
local terms energy: -749.396721
where:
bonds (distance) C4'-P energy: -120.375
bonds (distance) P-C4' energy: -139.869
flat angles C4'-P-C4' energy: -158.036
flat angles P-C4'-P energy: -109.367
tors. eta vs tors. theta energy: -221.750
Dist. restrs. and SS energy: 2.473 (S_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: 105
Temperature: 1.100000
Total energy: -2440.322417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.322417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.043372 (E_RNA)
where:
Base-Base interactions energy: -1719.414
where: short stacking energy: -687.875
Base-Backbone interact. energy: -2.351
local terms energy: -732.278746
where:
bonds (distance) C4'-P energy: -137.154
bonds (distance) P-C4' energy: -123.376
flat angles C4'-P-C4' energy: -145.284
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -222.384
Dist. restrs. and SS energy: 13.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2346.064667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.064667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.536165 (E_RNA)
where:
Base-Base interactions energy: -1672.003
where: short stacking energy: -679.387
Base-Backbone interact. energy: 1.145
local terms energy: -691.678136
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -122.440
flat angles C4'-P-C4' energy: -137.988
flat angles P-C4'-P energy: -103.187
tors. eta vs tors. theta energy: -208.475
Dist. restrs. and SS energy: 16.471 (S_DIST_RNA)
chem. 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: -2191.949387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.949387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.844518 (E_RNA)
where:
Base-Base interactions energy: -1552.094
where: short stacking energy: -622.214
Base-Backbone interact. energy: -1.248
local terms energy: -654.502418
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -132.034
flat angles C4'-P-C4' energy: -133.889
flat angles P-C4'-P energy: -80.334
tors. eta vs tors. theta energy: -193.313
Dist. restrs. and SS energy: 15.895 (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: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2185.678312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.678312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.362469 (E_RNA)
where:
Base-Base interactions energy: -1576.896
where: short stacking energy: -625.870
Base-Backbone interact. energy: -2.550
local terms energy: -619.915903
where:
bonds (distance) C4'-P energy: -91.076
bonds (distance) P-C4' energy: -114.990
flat angles C4'-P-C4' energy: -125.140
flat angles P-C4'-P energy: -95.040
tors. eta vs tors. theta energy: -193.670
Dist. restrs. and SS energy: 13.684 (S_DIST_RNA)
chem. 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: -2065.525909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.525909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.134213 (E_RNA)
where:
Base-Base interactions energy: -1514.583
where: short stacking energy: -572.616
Base-Backbone interact. energy: 3.455
local terms energy: -567.005940
where:
bonds (distance) C4'-P energy: -107.966
bonds (distance) P-C4' energy: -96.878
flat angles C4'-P-C4' energy: -116.293
flat angles P-C4'-P energy: -74.782
tors. eta vs tors. theta energy: -171.086
Dist. restrs. and SS energy: 12.608 (S_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: -1871.223043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.223043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.318793 (E_RNA)
where:
Base-Base interactions energy: -1331.455
where: short stacking energy: -545.800
Base-Backbone interact. energy: -1.992
local terms energy: -568.871543
where:
bonds (distance) C4'-P energy: -86.945
bonds (distance) P-C4' energy: -106.491
flat angles C4'-P-C4' energy: -126.494
flat angles P-C4'-P energy: -95.451
tors. eta vs tors. theta energy: -153.492
Dist. restrs. and SS energy: 31.096 (S_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: 106
Temperature: 0.900000
Total energy: -2718.949933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.949933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.944580 (E_RNA)
where:
Base-Base interactions energy: -1910.791
where: short stacking energy: -791.983
Base-Backbone interact. energy: -1.297
local terms energy: -808.857244
where:
bonds (distance) C4'-P energy: -149.664
bonds (distance) P-C4' energy: -137.869
flat angles C4'-P-C4' energy: -169.579
flat angles P-C4'-P energy: -110.024
tors. eta vs tors. theta energy: -241.721
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2661.628871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.628871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.080745 (E_RNA)
where:
Base-Base interactions energy: -1895.341
where: short stacking energy: -768.626
Base-Backbone interact. energy: -3.201
local terms energy: -772.538039
where:
bonds (distance) C4'-P energy: -141.354
bonds (distance) P-C4' energy: -128.611
flat angles C4'-P-C4' energy: -160.916
flat angles P-C4'-P energy: -103.958
tors. eta vs tors. theta energy: -237.699
Dist. restrs. and SS energy: 9.452 (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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2626.976966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.976966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.382310 (E_RNA)
where:
Base-Base interactions energy: -1862.081
where: short stacking energy: -761.919
Base-Backbone interact. energy: -2.044
local terms energy: -770.257176
where:
bonds (distance) C4'-P energy: -146.192
bonds (distance) P-C4' energy: -133.610
flat angles C4'-P-C4' energy: -150.418
flat angles P-C4'-P energy: -109.176
tors. eta vs tors. theta energy: -230.862
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: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2550.701244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.701244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.750967 (E_RNA)
where:
Base-Base interactions energy: -1832.678
where: short stacking energy: -744.571
Base-Backbone interact. energy: 1.114
local terms energy: -725.187687
where:
bonds (distance) C4'-P energy: -108.829
bonds (distance) P-C4' energy: -123.278
flat angles C4'-P-C4' energy: -151.054
flat angles P-C4'-P energy: -119.827
tors. eta vs tors. theta energy: -222.199
Dist. restrs. and SS energy: 6.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2440.279046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.279046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.382439 (E_RNA)
where:
Base-Base interactions energy: -1720.507
where: short stacking energy: -704.539
Base-Backbone interact. energy: -3.469
local terms energy: -732.407283
where:
bonds (distance) C4'-P energy: -111.352
bonds (distance) P-C4' energy: -145.482
flat angles C4'-P-C4' energy: -152.070
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -217.193
Dist. restrs. and SS energy: 16.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2341.263853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.809105 (E_RNA)
where:
Base-Base interactions energy: -1648.049
where: short stacking energy: -669.763
Base-Backbone interact. energy: 1.144
local terms energy: -714.903889
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -117.643
flat angles C4'-P-C4' energy: -147.426
flat angles P-C4'-P energy: -102.991
tors. eta vs tors. theta energy: -215.628
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: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2217.322548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.322548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.161435 (E_RNA)
where:
Base-Base interactions energy: -1579.261
where: short stacking energy: -640.872
Base-Backbone interact. energy: 0.131
local terms energy: -656.032150
where:
bonds (distance) C4'-P energy: -109.775
bonds (distance) P-C4' energy: -117.672
flat angles C4'-P-C4' energy: -141.142
flat angles P-C4'-P energy: -95.257
tors. eta vs tors. theta energy: -192.187
Dist. restrs. and SS energy: 17.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2176.139143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.139143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.825032 (E_RNA)
where:
Base-Base interactions energy: -1564.555
where: short stacking energy: -634.676
Base-Backbone interact. energy: -0.374
local terms energy: -628.895790
where:
bonds (distance) C4'-P energy: -122.841
bonds (distance) P-C4' energy: -107.752
flat angles C4'-P-C4' energy: -140.397
flat angles P-C4'-P energy: -69.250
tors. eta vs tors. theta energy: -188.656
Dist. restrs. and SS energy: 17.686 (S_DIST_RNA)
chem. 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: -2087.100254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.100254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.542403 (E_RNA)
where:
Base-Base interactions energy: -1479.937
where: short stacking energy: -601.962
Base-Backbone interact. energy: -3.525
local terms energy: -627.080970
where:
bonds (distance) C4'-P energy: -112.103
bonds (distance) P-C4' energy: -112.187
flat angles C4'-P-C4' energy: -127.544
flat angles P-C4'-P energy: -88.717
tors. eta vs tors. theta energy: -186.531
Dist. restrs. and SS energy: 23.442 (S_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: -1895.793233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.793233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.413885 (E_RNA)
where:
Base-Base interactions energy: -1354.148
where: short stacking energy: -535.371
Base-Backbone interact. energy: 1.138
local terms energy: -576.404207
where:
bonds (distance) C4'-P energy: -106.709
bonds (distance) P-C4' energy: -109.789
flat angles C4'-P-C4' energy: -116.724
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -163.333
Dist. restrs. and SS energy: 33.621 (S_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: 107
Temperature: 0.900000
Total energy: -2721.670283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.670283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.747018 (E_RNA)
where:
Base-Base interactions energy: -1935.794
where: short stacking energy: -783.126
Base-Backbone interact. energy: -2.689
local terms energy: -785.263656
where:
bonds (distance) C4'-P energy: -141.981
bonds (distance) P-C4' energy: -139.190
flat angles C4'-P-C4' energy: -147.608
flat angles P-C4'-P energy: -114.537
tors. eta vs tors. theta energy: -241.947
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2668.769289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.769289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.822042 (E_RNA)
where:
Base-Base interactions energy: -1884.997
where: short stacking energy: -769.044
Base-Backbone interact. energy: 1.166
local terms energy: -795.991413
where:
bonds (distance) C4'-P energy: -135.491
bonds (distance) P-C4' energy: -148.151
flat angles C4'-P-C4' energy: -160.965
flat angles P-C4'-P energy: -111.299
tors. eta vs tors. theta energy: -240.085
Dist. restrs. and SS energy: 11.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2621.893249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.893249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.535471 (E_RNA)
where:
Base-Base interactions energy: -1834.094
where: short stacking energy: -742.786
Base-Backbone interact. energy: -3.079
local terms energy: -793.362260
where:
bonds (distance) C4'-P energy: -135.281
bonds (distance) P-C4' energy: -152.518
flat angles C4'-P-C4' energy: -159.931
flat angles P-C4'-P energy: -115.741
tors. eta vs tors. theta energy: -229.890
Dist. restrs. and SS energy: 8.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2558.157660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.157660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.208000 (E_RNA)
where:
Base-Base interactions energy: -1816.430
where: short stacking energy: -760.208
Base-Backbone interact. energy: -1.346
local terms energy: -749.432521
where:
bonds (distance) C4'-P energy: -133.524
bonds (distance) P-C4' energy: -133.961
flat angles C4'-P-C4' energy: -152.726
flat angles P-C4'-P energy: -92.234
tors. eta vs tors. theta energy: -236.987
Dist. restrs. and SS energy: 9.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2440.837450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.837450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.733575 (E_RNA)
where:
Base-Base interactions energy: -1737.145
where: short stacking energy: -711.069
Base-Backbone interact. energy: -1.171
local terms energy: -719.417663
where:
bonds (distance) C4'-P energy: -117.331
bonds (distance) P-C4' energy: -129.637
flat angles C4'-P-C4' energy: -147.273
flat angles P-C4'-P energy: -100.777
tors. eta vs tors. theta energy: -224.400
Dist. restrs. and SS energy: 16.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2369.299617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.299617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.079011 (E_RNA)
where:
Base-Base interactions energy: -1659.629
where: short stacking energy: -664.892
Base-Backbone interact. energy: -0.994
local terms energy: -728.456886
where:
bonds (distance) C4'-P energy: -106.182
bonds (distance) P-C4' energy: -138.969
flat angles C4'-P-C4' energy: -150.179
flat angles P-C4'-P energy: -103.437
tors. eta vs tors. theta energy: -229.690
Dist. restrs. and SS energy: 19.779 (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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2285.161106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.161106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.069560 (E_RNA)
where:
Base-Base interactions energy: -1605.428
where: short stacking energy: -644.137
Base-Backbone interact. energy: -1.536
local terms energy: -685.105501
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -130.931
flat angles C4'-P-C4' energy: -144.641
flat angles P-C4'-P energy: -98.906
tors. eta vs tors. theta energy: -206.311
Dist. restrs. and SS energy: 6.908 (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: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2217.487053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.487053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.079162 (E_RNA)
where:
Base-Base interactions energy: -1579.204
where: short stacking energy: -625.789
Base-Backbone interact. energy: -2.259
local terms energy: -650.616107
where:
bonds (distance) C4'-P energy: -119.644
bonds (distance) P-C4' energy: -116.648
flat angles C4'-P-C4' energy: -141.096
flat angles P-C4'-P energy: -75.455
tors. eta vs tors. theta energy: -197.774
Dist. restrs. and SS energy: 14.592 (S_DIST_RNA)
chem. 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: -2085.558879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.558879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.124574 (E_RNA)
where:
Base-Base interactions energy: -1491.491
where: short stacking energy: -589.122
Base-Backbone interact. energy: -0.606
local terms energy: -610.027874
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -114.393
flat angles C4'-P-C4' energy: -134.443
flat angles P-C4'-P energy: -83.381
tors. eta vs tors. theta energy: -167.725
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: 107
Temperature: 1.350000
Total energy: -1935.760244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.760244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.206074 (E_RNA)
where:
Base-Base interactions energy: -1391.348
where: short stacking energy: -556.609
Base-Backbone interact. energy: -0.757
local terms energy: -572.101055
where:
bonds (distance) C4'-P energy: -104.046
bonds (distance) P-C4' energy: -106.912
flat angles C4'-P-C4' energy: -108.869
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -175.841
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: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2736.658599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.658599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.281791 (E_RNA)
where:
Base-Base interactions energy: -1953.331
where: short stacking energy: -796.303
Base-Backbone interact. energy: 3.457
local terms energy: -789.407812
where:
bonds (distance) C4'-P energy: -131.642
bonds (distance) P-C4' energy: -136.321
flat angles C4'-P-C4' energy: -164.714
flat angles P-C4'-P energy: -122.240
tors. eta vs tors. theta energy: -234.490
Dist. restrs. and SS energy: 2.623 (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: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2645.697945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.697945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.114930 (E_RNA)
where:
Base-Base interactions energy: -1890.055
where: short stacking energy: -779.731
Base-Backbone interact. energy: -2.935
local terms energy: -764.124906
where:
bonds (distance) C4'-P energy: -129.964
bonds (distance) P-C4' energy: -124.814
flat angles C4'-P-C4' energy: -159.862
flat angles P-C4'-P energy: -112.474
tors. eta vs tors. theta energy: -237.010
Dist. restrs. and SS energy: 11.417 (S_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: 108
Temperature: 1.000000
Total energy: -2591.414626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.414626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.864762 (E_RNA)
where:
Base-Base interactions energy: -1848.610
where: short stacking energy: -754.134
Base-Backbone interact. energy: -2.010
local terms energy: -747.245141
where:
bonds (distance) C4'-P energy: -131.176
bonds (distance) P-C4' energy: -121.224
flat angles C4'-P-C4' energy: -163.467
flat angles P-C4'-P energy: -104.351
tors. eta vs tors. theta energy: -227.027
Dist. restrs. and SS energy: 6.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2567.050597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.050597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.365623 (E_RNA)
where:
Base-Base interactions energy: -1811.142
where: short stacking energy: -725.334
Base-Backbone interact. energy: -1.755
local terms energy: -757.468835
where:
bonds (distance) C4'-P energy: -135.900
bonds (distance) P-C4' energy: -125.343
flat angles C4'-P-C4' energy: -162.155
flat angles P-C4'-P energy: -101.104
tors. eta vs tors. theta energy: -232.966
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2464.647406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.647406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.913297 (E_RNA)
where:
Base-Base interactions energy: -1749.043
where: short stacking energy: -699.333
Base-Backbone interact. energy: -1.171
local terms energy: -723.698521
where:
bonds (distance) C4'-P energy: -133.993
bonds (distance) P-C4' energy: -128.123
flat angles C4'-P-C4' energy: -156.063
flat angles P-C4'-P energy: -80.530
tors. eta vs tors. theta energy: -224.990
Dist. restrs. and SS energy: 9.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2349.278935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.278935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.893419 (E_RNA)
where:
Base-Base interactions energy: -1672.898
where: short stacking energy: -703.207
Base-Backbone interact. energy: -1.631
local terms energy: -692.364483
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -110.841
flat angles C4'-P-C4' energy: -145.366
flat angles P-C4'-P energy: -93.451
tors. eta vs tors. theta energy: -223.530
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: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2328.021044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.021044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.315298 (E_RNA)
where:
Base-Base interactions energy: -1659.785
where: short stacking energy: -690.677
Base-Backbone interact. energy: 1.822
local terms energy: -683.352300
where:
bonds (distance) C4'-P energy: -104.236
bonds (distance) P-C4' energy: -128.257
flat angles C4'-P-C4' energy: -154.313
flat angles P-C4'-P energy: -86.181
tors. eta vs tors. theta energy: -210.365
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: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2208.611417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.611417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.745587 (E_RNA)
where:
Base-Base interactions energy: -1585.939
where: short stacking energy: -639.278
Base-Backbone interact. energy: 1.602
local terms energy: -637.408373
where:
bonds (distance) C4'-P energy: -101.634
bonds (distance) P-C4' energy: -116.026
flat angles C4'-P-C4' energy: -134.588
flat angles P-C4'-P energy: -97.308
tors. eta vs tors. theta energy: -187.851
Dist. restrs. and SS energy: 13.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -2075.878369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.878369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.445249 (E_RNA)
where:
Base-Base interactions energy: -1476.672
where: short stacking energy: -594.866
Base-Backbone interact. energy: -1.475
local terms energy: -613.297891
where:
bonds (distance) C4'-P energy: -121.998
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -72.436
tors. eta vs tors. theta energy: -172.295
Dist. restrs. and SS energy: 15.567 (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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1844.543649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.543649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.728275 (E_RNA)
where:
Base-Base interactions energy: -1346.801
where: short stacking energy: -535.521
Base-Backbone interact. energy: -1.245
local terms energy: -523.682383
where:
bonds (distance) C4'-P energy: -84.383
bonds (distance) P-C4' energy: -108.956
flat angles C4'-P-C4' energy: -119.264
flat angles P-C4'-P energy: -57.146
tors. eta vs tors. theta energy: -153.934
Dist. restrs. and SS energy: 27.185 (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: 109
Temperature: 0.900000
Total energy: -2719.515340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.515340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.221720 (E_RNA)
where:
Base-Base interactions energy: -1928.566
where: short stacking energy: -782.800
Base-Backbone interact. energy: 2.057
local terms energy: -794.713131
where:
bonds (distance) C4'-P energy: -141.269
bonds (distance) P-C4' energy: -131.213
flat angles C4'-P-C4' energy: -162.374
flat angles P-C4'-P energy: -126.359
tors. eta vs tors. theta energy: -233.498
Dist. restrs. and SS energy: 1.706 (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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2676.931529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.931529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.543759 (E_RNA)
where:
Base-Base interactions energy: -1904.389
where: short stacking energy: -784.533
Base-Backbone interact. energy: -1.268
local terms energy: -783.887276
where:
bonds (distance) C4'-P energy: -141.059
bonds (distance) P-C4' energy: -131.897
flat angles C4'-P-C4' energy: -165.300
flat angles P-C4'-P energy: -114.280
tors. eta vs tors. theta energy: -231.351
Dist. restrs. and SS energy: 12.612 (S_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: 109
Temperature: 1.000000
Total energy: -2606.852272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.852272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.551026 (E_RNA)
where:
Base-Base interactions energy: -1855.831
where: short stacking energy: -756.094
Base-Backbone interact. energy: 0.846
local terms energy: -759.565296
where:
bonds (distance) C4'-P energy: -137.846
bonds (distance) P-C4' energy: -132.754
flat angles C4'-P-C4' energy: -158.230
flat angles P-C4'-P energy: -97.991
tors. eta vs tors. theta energy: -232.745
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2546.344570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.344570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.007836 (E_RNA)
where:
Base-Base interactions energy: -1809.838
where: short stacking energy: -736.650
Base-Backbone interact. energy: -1.349
local terms energy: -737.820611
where:
bonds (distance) C4'-P energy: -121.847
bonds (distance) P-C4' energy: -126.396
flat angles C4'-P-C4' energy: -159.657
flat angles P-C4'-P energy: -105.565
tors. eta vs tors. theta energy: -224.356
Dist. restrs. and SS energy: 2.663 (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: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2437.473684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.473684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.213235 (E_RNA)
where:
Base-Base interactions energy: -1748.766
where: short stacking energy: -703.901
Base-Backbone interact. energy: -0.370
local terms energy: -698.076739
where:
bonds (distance) C4'-P energy: -109.847
bonds (distance) P-C4' energy: -129.221
flat angles C4'-P-C4' energy: -150.414
flat angles P-C4'-P energy: -88.055
tors. eta vs tors. theta energy: -220.540
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: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2379.349639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.349639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.216873 (E_RNA)
where:
Base-Base interactions energy: -1698.511
where: short stacking energy: -683.423
Base-Backbone interact. energy: -0.875
local terms energy: -695.830465
where:
bonds (distance) C4'-P energy: -118.585
bonds (distance) P-C4' energy: -110.757
flat angles C4'-P-C4' energy: -137.366
flat angles P-C4'-P energy: -114.925
tors. eta vs tors. theta energy: -214.198
Dist. restrs. and SS energy: 15.867 (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: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2275.538142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.335700 (E_RNA)
where:
Base-Base interactions energy: -1590.149
where: short stacking energy: -631.236
Base-Backbone interact. energy: 0.012
local terms energy: -700.198370
where:
bonds (distance) C4'-P energy: -113.624
bonds (distance) P-C4' energy: -130.894
flat angles C4'-P-C4' energy: -158.263
flat angles P-C4'-P energy: -95.857
tors. eta vs tors. theta energy: -201.559
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: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2173.309387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.309387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.818750 (E_RNA)
where:
Base-Base interactions energy: -1557.695
where: short stacking energy: -619.587
Base-Backbone interact. energy: -0.278
local terms energy: -641.845814
where:
bonds (distance) C4'-P energy: -112.984
bonds (distance) P-C4' energy: -121.116
flat angles C4'-P-C4' energy: -128.223
flat angles P-C4'-P energy: -91.539
tors. eta vs tors. theta energy: -187.985
Dist. restrs. and SS energy: 26.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -2095.329124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.329124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.110282 (E_RNA)
where:
Base-Base interactions energy: -1519.322
where: short stacking energy: -599.975
Base-Backbone interact. energy: 0.137
local terms energy: -590.925508
where:
bonds (distance) C4'-P energy: -114.733
bonds (distance) P-C4' energy: -107.557
flat angles C4'-P-C4' energy: -126.237
flat angles P-C4'-P energy: -65.686
tors. eta vs tors. theta energy: -176.712
Dist. restrs. and SS energy: 14.781 (S_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: -1806.429735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.429735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.871599 (E_RNA)
where:
Base-Base interactions energy: -1290.645
where: short stacking energy: -511.780
Base-Backbone interact. energy: 0.162
local terms energy: -559.388525
where:
bonds (distance) C4'-P energy: -116.508
bonds (distance) P-C4' energy: -108.659
flat angles C4'-P-C4' energy: -116.475
flat angles P-C4'-P energy: -72.670
tors. eta vs tors. theta energy: -145.077
Dist. restrs. and SS energy: 43.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2735.590010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.590010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.873603 (E_RNA)
where:
Base-Base interactions energy: -1907.685
where: short stacking energy: -795.375
Base-Backbone interact. energy: -0.058
local terms energy: -831.131099
where:
bonds (distance) C4'-P energy: -143.221
bonds (distance) P-C4' energy: -161.383
flat angles C4'-P-C4' energy: -167.707
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -240.837
Dist. restrs. and SS energy: 3.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2698.297597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.297597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.693766 (E_RNA)
where:
Base-Base interactions energy: -1905.659
where: short stacking energy: -766.872
Base-Backbone interact. energy: -3.149
local terms energy: -798.885781
where:
bonds (distance) C4'-P energy: -144.643
bonds (distance) P-C4' energy: -137.473
flat angles C4'-P-C4' energy: -148.916
flat angles P-C4'-P energy: -124.398
tors. eta vs tors. theta energy: -243.456
Dist. restrs. and SS energy: 9.396 (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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2578.876200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.876200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.143091 (E_RNA)
where:
Base-Base interactions energy: -1858.004
where: short stacking energy: -748.814
Base-Backbone interact. energy: 2.819
local terms energy: -732.958335
where:
bonds (distance) C4'-P energy: -116.325
bonds (distance) P-C4' energy: -137.100
flat angles C4'-P-C4' energy: -149.948
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -227.276
Dist. restrs. and SS energy: 9.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2529.844507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.844507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.374012 (E_RNA)
where:
Base-Base interactions energy: -1798.514
where: short stacking energy: -714.884
Base-Backbone interact. energy: -1.311
local terms energy: -734.549172
where:
bonds (distance) C4'-P energy: -125.040
bonds (distance) P-C4' energy: -122.875
flat angles C4'-P-C4' energy: -156.945
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -224.971
Dist. restrs. and SS energy: 4.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2416.804938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.804938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.773232 (E_RNA)
where:
Base-Base interactions energy: -1696.358
where: short stacking energy: -697.767
Base-Backbone interact. energy: -0.555
local terms energy: -737.860804
where:
bonds (distance) C4'-P energy: -133.785
bonds (distance) P-C4' energy: -129.021
flat angles C4'-P-C4' energy: -150.501
flat angles P-C4'-P energy: -107.934
tors. eta vs tors. theta energy: -216.620
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: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2367.129137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.129137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.784459 (E_RNA)
where:
Base-Base interactions energy: -1692.945
where: short stacking energy: -686.479
Base-Backbone interact. energy: 0.453
local terms energy: -684.293036
where:
bonds (distance) C4'-P energy: -111.554
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -145.694
flat angles P-C4'-P energy: -101.089
tors. eta vs tors. theta energy: -223.155
Dist. restrs. and SS energy: 9.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2300.586456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.586456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.099858 (E_RNA)
where:
Base-Base interactions energy: -1655.492
where: short stacking energy: -666.902
Base-Backbone interact. energy: -1.678
local terms energy: -650.929947
where:
bonds (distance) C4'-P energy: -118.842
bonds (distance) P-C4' energy: -107.582
flat angles C4'-P-C4' energy: -126.938
flat angles P-C4'-P energy: -96.059
tors. eta vs tors. theta energy: -201.509
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: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2220.453895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.453895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.612129 (E_RNA)
where:
Base-Base interactions energy: -1600.683
where: short stacking energy: -628.324
Base-Backbone interact. energy: -3.516
local terms energy: -625.413547
where:
bonds (distance) C4'-P energy: -114.097
bonds (distance) P-C4' energy: -111.715
flat angles C4'-P-C4' energy: -125.063
flat angles P-C4'-P energy: -84.359
tors. eta vs tors. theta energy: -190.179
Dist. restrs. and SS energy: 9.158 (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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -2115.286685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.286685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.821073 (E_RNA)
where:
Base-Base interactions energy: -1538.228
where: short stacking energy: -603.165
Base-Backbone interact. energy: 4.421
local terms energy: -596.014321
where:
bonds (distance) C4'-P energy: -101.076
bonds (distance) P-C4' energy: -98.657
flat angles C4'-P-C4' energy: -138.246
flat angles P-C4'-P energy: -83.523
tors. eta vs tors. theta energy: -174.512
Dist. restrs. and SS energy: 14.534 (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: 110
Temperature: 1.350000
Total energy: -1816.653645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.653645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.702045 (E_RNA)
where:
Base-Base interactions energy: -1332.164
where: short stacking energy: -537.771
Base-Backbone interact. energy: -0.568
local terms energy: -510.969970
where:
bonds (distance) C4'-P energy: -105.373
bonds (distance) P-C4' energy: -82.480
flat angles C4'-P-C4' energy: -109.693
flat angles P-C4'-P energy: -63.956
tors. eta vs tors. theta energy: -149.469
Dist. restrs. and SS energy: 27.048 (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: 111
Temperature: 0.900000
Total energy: -2728.135808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.135808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.398058 (E_RNA)
where:
Base-Base interactions energy: -1935.873
where: short stacking energy: -803.318
Base-Backbone interact. energy: -2.958
local terms energy: -794.566941
where:
bonds (distance) C4'-P energy: -144.925
bonds (distance) P-C4' energy: -123.759
flat angles C4'-P-C4' energy: -164.340
flat angles P-C4'-P energy: -127.336
tors. eta vs tors. theta energy: -234.207
Dist. restrs. and SS energy: 5.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2688.235150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.235150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.764763 (E_RNA)
where:
Base-Base interactions energy: -1890.593
where: short stacking energy: -762.799
Base-Backbone interact. energy: -2.760
local terms energy: -807.411365
where:
bonds (distance) C4'-P energy: -133.478
bonds (distance) P-C4' energy: -145.625
flat angles C4'-P-C4' energy: -168.258
flat angles P-C4'-P energy: -113.130
tors. eta vs tors. theta energy: -246.920
Dist. restrs. and SS energy: 12.530 (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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2608.220490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.220490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.869223 (E_RNA)
where:
Base-Base interactions energy: -1851.629
where: short stacking energy: -749.534
Base-Backbone interact. energy: -0.167
local terms energy: -763.073505
where:
bonds (distance) C4'-P energy: -129.237
bonds (distance) P-C4' energy: -138.852
flat angles C4'-P-C4' energy: -163.934
flat angles P-C4'-P energy: -97.051
tors. eta vs tors. theta energy: -234.000
Dist. restrs. and SS energy: 6.649 (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: 111
Temperature: 1.050000
Total energy: -2552.200665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.200665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.586869 (E_RNA)
where:
Base-Base interactions energy: -1798.394
where: short stacking energy: -745.440
Base-Backbone interact. energy: -2.598
local terms energy: -756.594977
where:
bonds (distance) C4'-P energy: -150.476
bonds (distance) P-C4' energy: -133.821
flat angles C4'-P-C4' energy: -147.191
flat angles P-C4'-P energy: -99.844
tors. eta vs tors. theta energy: -225.263
Dist. restrs. and SS energy: 5.386 (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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2395.548664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.548664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.946819 (E_RNA)
where:
Base-Base interactions energy: -1681.744
where: short stacking energy: -680.021
Base-Backbone interact. energy: -1.971
local terms energy: -729.231485
where:
bonds (distance) C4'-P energy: -131.492
bonds (distance) P-C4' energy: -134.845
flat angles C4'-P-C4' energy: -154.498
flat angles P-C4'-P energy: -99.566
tors. eta vs tors. theta energy: -208.831
Dist. restrs. and SS energy: 17.398 (S_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: 111
Temperature: 1.150000
Total energy: -2390.749072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.749072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.326689 (E_RNA)
where:
Base-Base interactions energy: -1706.877
where: short stacking energy: -689.519
Base-Backbone interact. energy: -1.679
local terms energy: -695.770136
where:
bonds (distance) C4'-P energy: -125.060
bonds (distance) P-C4' energy: -120.161
flat angles C4'-P-C4' energy: -148.935
flat angles P-C4'-P energy: -102.099
tors. eta vs tors. theta energy: -199.515
Dist. restrs. and SS energy: 13.578 (S_DIST_RNA)
chem. 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: -2323.135170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.135170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.568323 (E_RNA)
where:
Base-Base interactions energy: -1675.078
where: short stacking energy: -683.647
Base-Backbone interact. energy: 2.590
local terms energy: -659.079673
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -122.598
flat angles C4'-P-C4' energy: -141.963
flat angles P-C4'-P energy: -84.409
tors. eta vs tors. theta energy: -203.758
Dist. restrs. and SS energy: 8.433 (S_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: 111
Temperature: 1.250000
Total energy: -2220.710460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.710460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.365851 (E_RNA)
where:
Base-Base interactions energy: -1597.227
where: short stacking energy: -676.337
Base-Backbone interact. energy: -2.957
local terms energy: -644.181839
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -122.941
flat angles C4'-P-C4' energy: -140.954
flat angles P-C4'-P energy: -81.941
tors. eta vs tors. theta energy: -195.447
Dist. restrs. and SS energy: 23.655 (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: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -2081.099282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.099282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.668818 (E_RNA)
where:
Base-Base interactions energy: -1494.267
where: short stacking energy: -590.324
Base-Backbone interact. energy: -4.286
local terms energy: -599.115702
where:
bonds (distance) C4'-P energy: -83.499
bonds (distance) P-C4' energy: -137.099
flat angles C4'-P-C4' energy: -121.138
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -174.416
Dist. restrs. and SS energy: 16.570 (S_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: -1838.195642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.195642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.986462 (E_RNA)
where:
Base-Base interactions energy: -1297.888
where: short stacking energy: -522.851
Base-Backbone interact. energy: 3.158
local terms energy: -584.256475
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -103.447
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -81.536
tors. eta vs tors. theta energy: -161.222
Dist. restrs. and SS energy: 40.791 (S_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: 112
Temperature: 0.900000
Total energy: -2724.495590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.495590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.775251 (E_RNA)
where:
Base-Base interactions energy: -1921.684
where: short stacking energy: -773.287
Base-Backbone interact. energy: -2.374
local terms energy: -805.717389
where:
bonds (distance) C4'-P energy: -144.522
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -176.981
flat angles P-C4'-P energy: -114.495
tors. eta vs tors. theta energy: -241.077
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: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2672.646384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.646384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.429276 (E_RNA)
where:
Base-Base interactions energy: -1899.171
where: short stacking energy: -768.289
Base-Backbone interact. energy: -2.247
local terms energy: -782.011171
where:
bonds (distance) C4'-P energy: -137.630
bonds (distance) P-C4' energy: -128.248
flat angles C4'-P-C4' energy: -157.407
flat angles P-C4'-P energy: -117.220
tors. eta vs tors. theta energy: -241.505
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2582.717734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.717734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.600206 (E_RNA)
where:
Base-Base interactions energy: -1825.340
where: short stacking energy: -750.782
Base-Backbone interact. energy: -0.034
local terms energy: -761.226965
where:
bonds (distance) C4'-P energy: -131.571
bonds (distance) P-C4' energy: -131.561
flat angles C4'-P-C4' energy: -162.797
flat angles P-C4'-P energy: -98.793
tors. eta vs tors. theta energy: -236.505
Dist. restrs. and SS energy: 3.882 (S_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: -2546.894299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.894299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.718592 (E_RNA)
where:
Base-Base interactions energy: -1814.076
where: short stacking energy: -731.246
Base-Backbone interact. energy: -1.682
local terms energy: -739.960434
where:
bonds (distance) C4'-P energy: -134.014
bonds (distance) P-C4' energy: -117.235
flat angles C4'-P-C4' energy: -167.952
flat angles P-C4'-P energy: -95.117
tors. eta vs tors. theta energy: -225.642
Dist. restrs. and SS energy: 8.824 (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: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2425.386746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.386746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.836600 (E_RNA)
where:
Base-Base interactions energy: -1703.135
where: short stacking energy: -701.016
Base-Backbone interact. energy: -2.467
local terms energy: -732.234960
where:
bonds (distance) C4'-P energy: -134.763
bonds (distance) P-C4' energy: -124.361
flat angles C4'-P-C4' energy: -150.102
flat angles P-C4'-P energy: -100.304
tors. eta vs tors. theta energy: -222.704
Dist. restrs. and SS energy: 12.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2358.119428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.119428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.543930 (E_RNA)
where:
Base-Base interactions energy: -1668.764
where: short stacking energy: -682.443
Base-Backbone interact. energy: -1.310
local terms energy: -700.470455
where:
bonds (distance) C4'-P energy: -117.623
bonds (distance) P-C4' energy: -129.966
flat angles C4'-P-C4' energy: -137.159
flat angles P-C4'-P energy: -99.343
tors. eta vs tors. theta energy: -216.380
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: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2345.447410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.447410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.122172 (E_RNA)
where:
Base-Base interactions energy: -1673.883
where: short stacking energy: -655.081
Base-Backbone interact. energy: -1.691
local terms energy: -681.548451
where:
bonds (distance) C4'-P energy: -114.552
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -146.118
flat angles P-C4'-P energy: -94.110
tors. eta vs tors. theta energy: -205.963
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: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2232.769354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.769354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.622147 (E_RNA)
where:
Base-Base interactions energy: -1568.325
where: short stacking energy: -618.867
Base-Backbone interact. energy: -1.506
local terms energy: -678.790993
where:
bonds (distance) C4'-P energy: -131.681
bonds (distance) P-C4' energy: -134.187
flat angles C4'-P-C4' energy: -138.790
flat angles P-C4'-P energy: -80.795
tors. eta vs tors. theta energy: -193.338
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: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -2091.923775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.923775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.204268 (E_RNA)
where:
Base-Base interactions energy: -1470.459
where: short stacking energy: -571.388
Base-Backbone interact. energy: -2.224
local terms energy: -626.521862
where:
bonds (distance) C4'-P energy: -128.823
bonds (distance) P-C4' energy: -109.355
flat angles C4'-P-C4' energy: -132.811
flat angles P-C4'-P energy: -76.531
tors. eta vs tors. theta energy: -179.002
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: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1838.226763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.226763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.310376 (E_RNA)
where:
Base-Base interactions energy: -1310.956
where: short stacking energy: -535.601
Base-Backbone interact. energy: 3.528
local terms energy: -563.881988
where:
bonds (distance) C4'-P energy: -117.430
bonds (distance) P-C4' energy: -83.488
flat angles C4'-P-C4' energy: -110.504
flat angles P-C4'-P energy: -85.853
tors. eta vs tors. theta energy: -166.607
Dist. restrs. and SS energy: 33.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2729.648889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.648889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.609312 (E_RNA)
where:
Base-Base interactions energy: -1957.703
where: short stacking energy: -807.995
Base-Backbone interact. energy: -2.009
local terms energy: -773.897782
where:
bonds (distance) C4'-P energy: -135.224
bonds (distance) P-C4' energy: -132.369
flat angles C4'-P-C4' energy: -162.992
flat angles P-C4'-P energy: -107.479
tors. eta vs tors. theta energy: -235.833
Dist. restrs. and SS energy: 3.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2657.957111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.957111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.485818 (E_RNA)
where:
Base-Base interactions energy: -1884.953
where: short stacking energy: -753.331
Base-Backbone interact. energy: -4.323
local terms energy: -776.209388
where:
bonds (distance) C4'-P energy: -123.588
bonds (distance) P-C4' energy: -144.034
flat angles C4'-P-C4' energy: -164.611
flat angles P-C4'-P energy: -113.570
tors. eta vs tors. theta energy: -230.405
Dist. restrs. and SS energy: 7.529 (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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2599.932591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.932591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.445649 (E_RNA)
where:
Base-Base interactions energy: -1838.546
where: short stacking energy: -751.245
Base-Backbone interact. energy: -2.446
local terms energy: -763.453453
where:
bonds (distance) C4'-P energy: -122.509
bonds (distance) P-C4' energy: -141.070
flat angles C4'-P-C4' energy: -165.448
flat angles P-C4'-P energy: -104.676
tors. eta vs tors. theta energy: -229.751
Dist. restrs. and SS energy: 4.513 (S_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: 113
Temperature: 1.050000
Total energy: -2513.897218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.897218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.770677 (E_RNA)
where:
Base-Base interactions energy: -1781.251
where: short stacking energy: -735.276
Base-Backbone interact. energy: -2.754
local terms energy: -749.765876
where:
bonds (distance) C4'-P energy: -143.500
bonds (distance) P-C4' energy: -126.555
flat angles C4'-P-C4' energy: -139.755
flat angles P-C4'-P energy: -108.851
tors. eta vs tors. theta energy: -231.105
Dist. restrs. and SS energy: 19.873 (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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2477.494406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.494406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.021120 (E_RNA)
where:
Base-Base interactions energy: -1762.403
where: short stacking energy: -710.945
Base-Backbone interact. energy: -2.899
local terms energy: -717.719690
where:
bonds (distance) C4'-P energy: -121.901
bonds (distance) P-C4' energy: -125.855
flat angles C4'-P-C4' energy: -149.405
flat angles P-C4'-P energy: -92.797
tors. eta vs tors. theta energy: -227.762
Dist. restrs. and SS energy: 5.527 (S_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: 113
Temperature: 1.150000
Total energy: -2365.366620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.366620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.859684 (E_RNA)
where:
Base-Base interactions energy: -1686.618
where: short stacking energy: -668.863
Base-Backbone interact. energy: -4.788
local terms energy: -689.453814
where:
bonds (distance) C4'-P energy: -124.950
bonds (distance) P-C4' energy: -118.930
flat angles C4'-P-C4' energy: -145.886
flat angles P-C4'-P energy: -94.220
tors. eta vs tors. theta energy: -205.468
Dist. restrs. and SS energy: 15.493 (S_DIST_RNA)
chem. 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: -2336.414757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.414757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.094296 (E_RNA)
where:
Base-Base interactions energy: -1691.366
where: short stacking energy: -669.200
Base-Backbone interact. energy: 0.989
local terms energy: -653.717212
where:
bonds (distance) C4'-P energy: -104.374
bonds (distance) P-C4' energy: -118.009
flat angles C4'-P-C4' energy: -123.698
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -223.024
Dist. restrs. and SS energy: 7.680 (S_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: 113
Temperature: 1.250000
Total energy: -2212.481744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.481744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.613830 (E_RNA)
where:
Base-Base interactions energy: -1570.398
where: short stacking energy: -637.690
Base-Backbone interact. energy: -0.172
local terms energy: -663.043642
where:
bonds (distance) C4'-P energy: -109.811
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -125.845
flat angles P-C4'-P energy: -108.591
tors. eta vs tors. theta energy: -201.719
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: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -2117.801333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.801333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.320085 (E_RNA)
where:
Base-Base interactions energy: -1534.615
where: short stacking energy: -630.745
Base-Backbone interact. energy: 0.382
local terms energy: -600.087198
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -110.377
flat angles C4'-P-C4' energy: -119.901
flat angles P-C4'-P energy: -82.485
tors. eta vs tors. theta energy: -184.961
Dist. restrs. and SS energy: 16.519 (S_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: -1974.488251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.488251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.022162 (E_RNA)
where:
Base-Base interactions energy: -1392.392
where: short stacking energy: -571.338
Base-Backbone interact. energy: -1.104
local terms energy: -607.525803
where:
bonds (distance) C4'-P energy: -111.374
bonds (distance) P-C4' energy: -118.483
flat angles C4'-P-C4' energy: -124.893
flat angles P-C4'-P energy: -77.292
tors. eta vs tors. theta energy: -175.484
Dist. restrs. and SS energy: 26.534 (S_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: 114
Temperature: 0.900000
Total energy: -2717.579864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.579864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.529781 (E_RNA)
where:
Base-Base interactions energy: -1916.140
where: short stacking energy: -792.966
Base-Backbone interact. energy: -2.579
local terms energy: -802.810682
where:
bonds (distance) C4'-P energy: -134.541
bonds (distance) P-C4' energy: -140.441
flat angles C4'-P-C4' energy: -171.999
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -242.790
Dist. restrs. and SS energy: 3.950 (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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2663.271847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.271847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.404856 (E_RNA)
where:
Base-Base interactions energy: -1909.700
where: short stacking energy: -768.489
Base-Backbone interact. energy: -1.263
local terms energy: -761.441852
where:
bonds (distance) C4'-P energy: -132.065
bonds (distance) P-C4' energy: -125.296
flat angles C4'-P-C4' energy: -151.701
flat angles P-C4'-P energy: -117.953
tors. eta vs tors. theta energy: -234.426
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: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2642.936805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.936805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.807535 (E_RNA)
where:
Base-Base interactions energy: -1849.482
where: short stacking energy: -764.514
Base-Backbone interact. energy: -1.821
local terms energy: -794.504256
where:
bonds (distance) C4'-P energy: -148.939
bonds (distance) P-C4' energy: -135.274
flat angles C4'-P-C4' energy: -156.721
flat angles P-C4'-P energy: -114.802
tors. eta vs tors. theta energy: -238.768
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2498.478401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.478401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.458050 (E_RNA)
where:
Base-Base interactions energy: -1762.749
where: short stacking energy: -721.766
Base-Backbone interact. energy: -0.874
local terms energy: -748.835332
where:
bonds (distance) C4'-P energy: -117.302
bonds (distance) P-C4' energy: -138.367
flat angles C4'-P-C4' energy: -159.827
flat angles P-C4'-P energy: -103.532
tors. eta vs tors. theta energy: -229.808
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: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2487.925780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.925780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.422798 (E_RNA)
where:
Base-Base interactions energy: -1766.825
where: short stacking energy: -704.799
Base-Backbone interact. energy: -1.783
local terms energy: -723.814498
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -141.663
flat angles C4'-P-C4' energy: -145.901
flat angles P-C4'-P energy: -88.639
tors. eta vs tors. theta energy: -212.516
Dist. restrs. and SS energy: 4.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2391.511369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.511369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.071560 (E_RNA)
where:
Base-Base interactions energy: -1664.052
where: short stacking energy: -679.477
Base-Backbone interact. energy: -0.423
local terms energy: -736.596701
where:
bonds (distance) C4'-P energy: -134.276
bonds (distance) P-C4' energy: -123.673
flat angles C4'-P-C4' energy: -154.619
flat angles P-C4'-P energy: -99.824
tors. eta vs tors. theta energy: -224.204
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2356.119288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.119288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.303067 (E_RNA)
where:
Base-Base interactions energy: -1665.287
where: short stacking energy: -657.487
Base-Backbone interact. energy: 1.212
local terms energy: -701.227890
where:
bonds (distance) C4'-P energy: -115.096
bonds (distance) P-C4' energy: -114.950
flat angles C4'-P-C4' energy: -156.103
flat angles P-C4'-P energy: -107.334
tors. eta vs tors. theta energy: -207.745
Dist. restrs. and SS energy: 9.184 (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: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2206.582397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.582397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.491486 (E_RNA)
where:
Base-Base interactions energy: -1589.382
where: short stacking energy: -641.927
Base-Backbone interact. energy: -4.091
local terms energy: -630.017892
where:
bonds (distance) C4'-P energy: -109.160
bonds (distance) P-C4' energy: -112.579
flat angles C4'-P-C4' energy: -131.571
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -195.615
Dist. restrs. and SS energy: 16.909 (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: 114
Temperature: 1.300000
Total energy: -2113.344506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.344506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.310653 (E_RNA)
where:
Base-Base interactions energy: -1517.122
where: short stacking energy: -614.338
Base-Backbone interact. energy: 2.771
local terms energy: -609.960502
where:
bonds (distance) C4'-P energy: -106.748
bonds (distance) P-C4' energy: -106.678
flat angles C4'-P-C4' energy: -134.152
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -184.032
Dist. restrs. and SS energy: 10.966 (S_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: -1948.343624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.343624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.758107 (E_RNA)
where:
Base-Base interactions energy: -1371.379
where: short stacking energy: -560.924
Base-Backbone interact. energy: -2.599
local terms energy: -602.780419
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -137.171
flat angles P-C4'-P energy: -76.672
tors. eta vs tors. theta energy: -164.394
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: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2733.969935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.969935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.253947 (E_RNA)
where:
Base-Base interactions energy: -1940.004
where: short stacking energy: -799.570
Base-Backbone interact. energy: -0.719
local terms energy: -795.530037
where:
bonds (distance) C4'-P energy: -140.835
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -155.915
flat angles P-C4'-P energy: -118.622
tors. eta vs tors. theta energy: -248.357
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2674.396772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.396772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.673873 (E_RNA)
where:
Base-Base interactions energy: -1905.467
where: short stacking energy: -767.391
Base-Backbone interact. energy: -3.689
local terms energy: -773.517618
where:
bonds (distance) C4'-P energy: -115.400
bonds (distance) P-C4' energy: -136.726
flat angles C4'-P-C4' energy: -164.491
flat angles P-C4'-P energy: -115.897
tors. eta vs tors. theta energy: -241.003
Dist. restrs. and SS energy: 8.277 (S_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: 115
Temperature: 1.000000
Total energy: -2623.064896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.064896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.360564 (E_RNA)
where:
Base-Base interactions energy: -1862.548
where: short stacking energy: -773.424
Base-Backbone interact. energy: -1.677
local terms energy: -761.135218
where:
bonds (distance) C4'-P energy: -111.677
bonds (distance) P-C4' energy: -123.033
flat angles C4'-P-C4' energy: -171.360
flat angles P-C4'-P energy: -107.002
tors. eta vs tors. theta energy: -248.064
Dist. restrs. and SS energy: 2.296 (S_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: -2514.494194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.494194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.580538 (E_RNA)
where:
Base-Base interactions energy: -1810.321
where: short stacking energy: -730.836
Base-Backbone interact. energy: -3.861
local terms energy: -703.398408
where:
bonds (distance) C4'-P energy: -132.852
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -146.712
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -208.926
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2447.855034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.855034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.844270 (E_RNA)
where:
Base-Base interactions energy: -1732.295
where: short stacking energy: -698.885
Base-Backbone interact. energy: 0.033
local terms energy: -728.582642
where:
bonds (distance) C4'-P energy: -126.587
bonds (distance) P-C4' energy: -131.382
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -103.407
tors. eta vs tors. theta energy: -212.603
Dist. restrs. and SS energy: 12.989 (S_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: 115
Temperature: 1.150000
Total energy: -2399.917046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.917046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.091707 (E_RNA)
where:
Base-Base interactions energy: -1715.875
where: short stacking energy: -673.884
Base-Backbone interact. energy: -0.761
local terms energy: -691.456104
where:
bonds (distance) C4'-P energy: -116.071
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -132.084
flat angles P-C4'-P energy: -112.584
tors. eta vs tors. theta energy: -218.130
Dist. restrs. and SS energy: 8.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2376.379497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.379497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.842837 (E_RNA)
where:
Base-Base interactions energy: -1701.477
where: short stacking energy: -706.604
Base-Backbone interact. energy: -0.223
local terms energy: -685.143504
where:
bonds (distance) C4'-P energy: -114.497
bonds (distance) P-C4' energy: -107.216
flat angles C4'-P-C4' energy: -149.419
flat angles P-C4'-P energy: -85.862
tors. eta vs tors. theta energy: -228.151
Dist. restrs. and SS energy: 10.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2223.058745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.058745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.424591 (E_RNA)
where:
Base-Base interactions energy: -1564.971
where: short stacking energy: -640.756
Base-Backbone interact. energy: 1.700
local terms energy: -677.153170
where:
bonds (distance) C4'-P energy: -107.118
bonds (distance) P-C4' energy: -123.016
flat angles C4'-P-C4' energy: -148.038
flat angles P-C4'-P energy: -99.872
tors. eta vs tors. theta energy: -199.109
Dist. restrs. and SS energy: 17.366 (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: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -2118.282126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.282126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.796572 (E_RNA)
where:
Base-Base interactions energy: -1545.377
where: short stacking energy: -628.394
Base-Backbone interact. energy: 1.571
local terms energy: -591.989748
where:
bonds (distance) C4'-P energy: -93.373
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -188.949
Dist. restrs. and SS energy: 17.514 (S_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: -1884.339862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.339862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.343625 (E_RNA)
where:
Base-Base interactions energy: -1345.874
where: short stacking energy: -535.362
Base-Backbone interact. energy: -1.436
local terms energy: -569.033063
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -125.621
flat angles C4'-P-C4' energy: -121.446
flat angles P-C4'-P energy: -60.211
tors. eta vs tors. theta energy: -163.493
Dist. restrs. and SS energy: 32.004 (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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2734.358517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.358517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.269003 (E_RNA)
where:
Base-Base interactions energy: -1905.218
where: short stacking energy: -785.704
Base-Backbone interact. energy: -2.817
local terms energy: -830.234540
where:
bonds (distance) C4'-P energy: -146.988
bonds (distance) P-C4' energy: -145.400
flat angles C4'-P-C4' energy: -173.597
flat angles P-C4'-P energy: -119.833
tors. eta vs tors. theta energy: -244.416
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: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2681.641144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.641144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.018181 (E_RNA)
where:
Base-Base interactions energy: -1916.055
where: short stacking energy: -769.258
Base-Backbone interact. energy: -1.226
local terms energy: -774.737083
where:
bonds (distance) C4'-P energy: -133.864
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -169.981
flat angles P-C4'-P energy: -106.476
tors. eta vs tors. theta energy: -239.235
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2623.609035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.609035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.569843 (E_RNA)
where:
Base-Base interactions energy: -1857.423
where: short stacking energy: -758.631
Base-Backbone interact. energy: -2.129
local terms energy: -766.017524
where:
bonds (distance) C4'-P energy: -135.722
bonds (distance) P-C4' energy: -131.377
flat angles C4'-P-C4' energy: -161.986
flat angles P-C4'-P energy: -98.086
tors. eta vs tors. theta energy: -238.846
Dist. restrs. and SS energy: 1.961 (S_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: 116
Temperature: 1.050000
Total energy: -2532.213474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.213474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.274929 (E_RNA)
where:
Base-Base interactions energy: -1829.320
where: short stacking energy: -744.784
Base-Backbone interact. energy: -2.880
local terms energy: -704.074812
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -114.815
flat angles C4'-P-C4' energy: -145.023
flat angles P-C4'-P energy: -92.859
tors. eta vs tors. theta energy: -226.835
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2436.517597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.517597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.519869 (E_RNA)
where:
Base-Base interactions energy: -1750.758
where: short stacking energy: -718.235
Base-Backbone interact. energy: -1.748
local terms energy: -702.014413
where:
bonds (distance) C4'-P energy: -130.150
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -138.944
flat angles P-C4'-P energy: -84.994
tors. eta vs tors. theta energy: -224.170
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2342.294407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.294407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.091445 (E_RNA)
where:
Base-Base interactions energy: -1654.609
where: short stacking energy: -661.431
Base-Backbone interact. energy: 0.495
local terms energy: -697.977296
where:
bonds (distance) C4'-P energy: -126.428
bonds (distance) P-C4' energy: -116.538
flat angles C4'-P-C4' energy: -154.568
flat angles P-C4'-P energy: -84.615
tors. eta vs tors. theta energy: -215.828
Dist. restrs. and SS energy: 9.797 (S_DIST_RNA)
chem. 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: -2326.621697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.621697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.889621 (E_RNA)
where:
Base-Base interactions energy: -1649.340
where: short stacking energy: -666.327
Base-Backbone interact. energy: -2.245
local terms energy: -687.304176
where:
bonds (distance) C4'-P energy: -118.092
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -141.563
flat angles P-C4'-P energy: -87.626
tors. eta vs tors. theta energy: -215.957
Dist. restrs. and SS energy: 12.268 (S_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: 116
Temperature: 1.250000
Total energy: -2211.829334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.829334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.428709 (E_RNA)
where:
Base-Base interactions energy: -1563.954
where: short stacking energy: -632.439
Base-Backbone interact. energy: -5.945
local terms energy: -651.530092
where:
bonds (distance) C4'-P energy: -106.892
bonds (distance) P-C4' energy: -124.585
flat angles C4'-P-C4' energy: -151.639
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -194.192
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: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -2126.175246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.175246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.773843 (E_RNA)
where:
Base-Base interactions energy: -1521.342
where: short stacking energy: -612.507
Base-Backbone interact. energy: -2.288
local terms energy: -617.144443
where:
bonds (distance) C4'-P energy: -121.251
bonds (distance) P-C4' energy: -114.035
flat angles C4'-P-C4' energy: -132.778
flat angles P-C4'-P energy: -70.428
tors. eta vs tors. theta energy: -178.652
Dist. restrs. and SS energy: 14.599 (S_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: -1923.335698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.335698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.567534 (E_RNA)
where:
Base-Base interactions energy: -1388.730
where: short stacking energy: -538.687
Base-Backbone interact. energy: -1.435
local terms energy: -562.402312
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -86.993
flat angles C4'-P-C4' energy: -131.636
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -163.896
Dist. restrs. and SS energy: 29.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2723.016151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.016151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.748456 (E_RNA)
where:
Base-Base interactions energy: -1917.435
where: short stacking energy: -775.777
Base-Backbone interact. energy: -4.108
local terms energy: -808.205729
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -125.454
flat angles C4'-P-C4' energy: -173.631
flat angles P-C4'-P energy: -126.012
tors. eta vs tors. theta energy: -248.466
Dist. restrs. and SS energy: 6.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2670.402805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.402805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.011964 (E_RNA)
where:
Base-Base interactions energy: -1922.052
where: short stacking energy: -788.001
Base-Backbone interact. energy: -2.067
local terms energy: -754.893275
where:
bonds (distance) C4'-P energy: -122.228
bonds (distance) P-C4' energy: -133.737
flat angles C4'-P-C4' energy: -157.326
flat angles P-C4'-P energy: -101.144
tors. eta vs tors. theta energy: -240.458
Dist. restrs. and SS energy: 8.609 (S_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: 117
Temperature: 1.000000
Total energy: -2605.111755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.111755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.557691 (E_RNA)
where:
Base-Base interactions energy: -1833.599
where: short stacking energy: -756.813
Base-Backbone interact. energy: -2.628
local terms energy: -771.330544
where:
bonds (distance) C4'-P energy: -128.417
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -152.302
flat angles P-C4'-P energy: -119.863
tors. eta vs tors. theta energy: -235.428
Dist. restrs. and SS energy: 2.446 (S_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: 117
Temperature: 1.050000
Total energy: -2523.521531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.521531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.246563 (E_RNA)
where:
Base-Base interactions energy: -1799.241
where: short stacking energy: -718.152
Base-Backbone interact. energy: -0.268
local terms energy: -727.737584
where:
bonds (distance) C4'-P energy: -129.505
bonds (distance) P-C4' energy: -130.880
flat angles C4'-P-C4' energy: -146.362
flat angles P-C4'-P energy: -100.611
tors. eta vs tors. theta energy: -220.381
Dist. restrs. and SS energy: 3.725 (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: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2418.774441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.774441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.921151 (E_RNA)
where:
Base-Base interactions energy: -1744.541
where: short stacking energy: -728.378
Base-Backbone interact. energy: 0.768
local terms energy: -694.148180
where:
bonds (distance) C4'-P energy: -115.495
bonds (distance) P-C4' energy: -128.172
flat angles C4'-P-C4' energy: -148.182
flat angles P-C4'-P energy: -86.794
tors. eta vs tors. theta energy: -215.505
Dist. restrs. and SS energy: 19.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2387.495039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.495039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.188430 (E_RNA)
where:
Base-Base interactions energy: -1697.378
where: short stacking energy: -691.989
Base-Backbone interact. energy: -2.163
local terms energy: -695.647556
where:
bonds (distance) C4'-P energy: -104.081
bonds (distance) P-C4' energy: -127.652
flat angles C4'-P-C4' energy: -149.277
flat angles P-C4'-P energy: -106.051
tors. eta vs tors. theta energy: -208.586
Dist. restrs. and SS energy: 7.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2300.987099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.987099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.352672 (E_RNA)
where:
Base-Base interactions energy: -1588.372
where: short stacking energy: -655.806
Base-Backbone interact. energy: -0.987
local terms energy: -723.993891
where:
bonds (distance) C4'-P energy: -128.700
bonds (distance) P-C4' energy: -123.485
flat angles C4'-P-C4' energy: -149.879
flat angles P-C4'-P energy: -108.776
tors. eta vs tors. theta energy: -213.153
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: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2253.583880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.583880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.013955 (E_RNA)
where:
Base-Base interactions energy: -1572.385
where: short stacking energy: -635.646
Base-Backbone interact. energy: -2.180
local terms energy: -692.449115
where:
bonds (distance) C4'-P energy: -128.762
bonds (distance) P-C4' energy: -129.823
flat angles C4'-P-C4' energy: -138.893
flat angles P-C4'-P energy: -89.517
tors. eta vs tors. theta energy: -205.454
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -2124.902337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.902337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.516334 (E_RNA)
where:
Base-Base interactions energy: -1525.658
where: short stacking energy: -596.615
Base-Backbone interact. energy: 5.399
local terms energy: -627.257282
where:
bonds (distance) C4'-P energy: -112.938
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -130.234
flat angles P-C4'-P energy: -89.816
tors. eta vs tors. theta energy: -180.982
Dist. restrs. and SS energy: 22.614 (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: 117
Temperature: 1.350000
Total energy: -1876.582326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.582326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.469324 (E_RNA)
where:
Base-Base interactions energy: -1374.378
where: short stacking energy: -558.401
Base-Backbone interact. energy: -2.173
local terms energy: -528.918401
where:
bonds (distance) C4'-P energy: -91.346
bonds (distance) P-C4' energy: -105.163
flat angles C4'-P-C4' energy: -115.975
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -139.285
Dist. restrs. and SS energy: 28.887 (S_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: 118
Temperature: 0.900000
Total energy: -2725.763357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.763357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.233541 (E_RNA)
where:
Base-Base interactions energy: -1926.600
where: short stacking energy: -811.251
Base-Backbone interact. energy: -0.939
local terms energy: -803.694773
where:
bonds (distance) C4'-P energy: -148.992
bonds (distance) P-C4' energy: -121.541
flat angles C4'-P-C4' energy: -172.720
flat angles P-C4'-P energy: -115.405
tors. eta vs tors. theta energy: -245.036
Dist. restrs. and SS energy: 5.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2682.533150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.533150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.914178 (E_RNA)
where:
Base-Base interactions energy: -1901.886
where: short stacking energy: -764.869
Base-Backbone interact. energy: -4.487
local terms energy: -784.540901
where:
bonds (distance) C4'-P energy: -123.316
bonds (distance) P-C4' energy: -145.711
flat angles C4'-P-C4' energy: -159.958
flat angles P-C4'-P energy: -116.176
tors. eta vs tors. theta energy: -239.380
Dist. restrs. and SS energy: 8.381 (S_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: 118
Temperature: 1.000000
Total energy: -2615.554406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.554406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.177967 (E_RNA)
where:
Base-Base interactions energy: -1845.923
where: short stacking energy: -750.563
Base-Backbone interact. energy: 0.491
local terms energy: -773.746736
where:
bonds (distance) C4'-P energy: -131.196
bonds (distance) P-C4' energy: -137.932
flat angles C4'-P-C4' energy: -161.558
flat angles P-C4'-P energy: -114.358
tors. eta vs tors. theta energy: -228.703
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: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2549.638682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.638682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.455025 (E_RNA)
where:
Base-Base interactions energy: -1821.782
where: short stacking energy: -729.622
Base-Backbone interact. energy: -0.466
local terms energy: -732.206268
where:
bonds (distance) C4'-P energy: -120.408
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -158.242
flat angles P-C4'-P energy: -104.465
tors. eta vs tors. theta energy: -221.042
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2444.854671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.854671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.919074 (E_RNA)
where:
Base-Base interactions energy: -1750.004
where: short stacking energy: -724.190
Base-Backbone interact. energy: -1.848
local terms energy: -706.067268
where:
bonds (distance) C4'-P energy: -104.998
bonds (distance) P-C4' energy: -122.767
flat angles C4'-P-C4' energy: -153.675
flat angles P-C4'-P energy: -103.780
tors. eta vs tors. theta energy: -220.848
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: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2374.069075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.069075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.548858 (E_RNA)
where:
Base-Base interactions energy: -1701.163
where: short stacking energy: -702.208
Base-Backbone interact. energy: -1.318
local terms energy: -681.068363
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -129.425
flat angles P-C4'-P energy: -86.603
tors. eta vs tors. theta energy: -221.327
Dist. restrs. and SS energy: 9.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2259.221296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.318157 (E_RNA)
where:
Base-Base interactions energy: -1600.027
where: short stacking energy: -646.007
Base-Backbone interact. energy: 5.815
local terms energy: -672.106457
where:
bonds (distance) C4'-P energy: -113.866
bonds (distance) P-C4' energy: -112.418
flat angles C4'-P-C4' energy: -149.353
flat angles P-C4'-P energy: -83.532
tors. eta vs tors. theta energy: -212.939
Dist. restrs. and SS energy: 7.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -2189.090855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.090855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.931756 (E_RNA)
where:
Base-Base interactions energy: -1576.715
where: short stacking energy: -646.314
Base-Backbone interact. energy: -1.225
local terms energy: -625.991557
where:
bonds (distance) C4'-P energy: -121.625
bonds (distance) P-C4' energy: -101.959
flat angles C4'-P-C4' energy: -135.895
flat angles P-C4'-P energy: -77.062
tors. eta vs tors. theta energy: -189.450
Dist. restrs. and SS energy: 14.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -2128.252179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.252179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.664455 (E_RNA)
where:
Base-Base interactions energy: -1529.871
where: short stacking energy: -642.187
Base-Backbone interact. energy: -2.033
local terms energy: -611.760275
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -113.751
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -83.975
tors. eta vs tors. theta energy: -189.155
Dist. restrs. and SS energy: 15.412 (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: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1908.472063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.472063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.212251 (E_RNA)
where:
Base-Base interactions energy: -1338.471
where: short stacking energy: -527.700
Base-Backbone interact. energy: 0.063
local terms energy: -601.804204
where:
bonds (distance) C4'-P energy: -112.782
bonds (distance) P-C4' energy: -114.976
flat angles C4'-P-C4' energy: -129.476
flat angles P-C4'-P energy: -85.531
tors. eta vs tors. theta energy: -159.039
Dist. restrs. and SS energy: 31.740 (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: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2729.539306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.539306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.239809 (E_RNA)
where:
Base-Base interactions energy: -1931.717
where: short stacking energy: -798.618
Base-Backbone interact. energy: -0.110
local terms energy: -799.413662
where:
bonds (distance) C4'-P energy: -124.785
bonds (distance) P-C4' energy: -148.897
flat angles C4'-P-C4' energy: -162.393
flat angles P-C4'-P energy: -117.652
tors. eta vs tors. theta energy: -245.687
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2676.668714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.668714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.127093 (E_RNA)
where:
Base-Base interactions energy: -1890.706
where: short stacking energy: -769.419
Base-Backbone interact. energy: -3.746
local terms energy: -791.675117
where:
bonds (distance) C4'-P energy: -134.599
bonds (distance) P-C4' energy: -147.956
flat angles C4'-P-C4' energy: -154.564
flat angles P-C4'-P energy: -118.773
tors. eta vs tors. theta energy: -235.783
Dist. restrs. and SS energy: 9.458 (S_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: 119
Temperature: 1.000000
Total energy: -2615.659399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.659399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.961562 (E_RNA)
where:
Base-Base interactions energy: -1848.185
where: short stacking energy: -748.853
Base-Backbone interact. energy: -1.694
local terms energy: -770.082081
where:
bonds (distance) C4'-P energy: -130.555
bonds (distance) P-C4' energy: -129.228
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -119.244
tors. eta vs tors. theta energy: -227.700
Dist. restrs. and SS energy: 4.302 (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: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2587.747791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.747791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.259483 (E_RNA)
where:
Base-Base interactions energy: -1818.680
where: short stacking energy: -735.901
Base-Backbone interact. energy: 6.138
local terms energy: -780.717208
where:
bonds (distance) C4'-P energy: -134.685
bonds (distance) P-C4' energy: -133.471
flat angles C4'-P-C4' energy: -162.789
flat angles P-C4'-P energy: -124.463
tors. eta vs tors. theta energy: -225.309
Dist. restrs. and SS energy: 5.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2420.704800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.704800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.563277 (E_RNA)
where:
Base-Base interactions energy: -1718.648
where: short stacking energy: -705.732
Base-Backbone interact. energy: 3.451
local terms energy: -720.366382
where:
bonds (distance) C4'-P energy: -114.930
bonds (distance) P-C4' energy: -141.752
flat angles C4'-P-C4' energy: -138.981
flat angles P-C4'-P energy: -104.727
tors. eta vs tors. theta energy: -219.977
Dist. restrs. and SS energy: 14.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2418.214199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.214199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.702465 (E_RNA)
where:
Base-Base interactions energy: -1712.288
where: short stacking energy: -686.974
Base-Backbone interact. energy: -0.230
local terms energy: -718.184555
where:
bonds (distance) C4'-P energy: -130.547
bonds (distance) P-C4' energy: -116.174
flat angles C4'-P-C4' energy: -143.117
flat angles P-C4'-P energy: -113.708
tors. eta vs tors. theta energy: -214.638
Dist. restrs. and SS energy: 12.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2293.949558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.949558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.186710 (E_RNA)
where:
Base-Base interactions energy: -1631.144
where: short stacking energy: -657.047
Base-Backbone interact. energy: -1.198
local terms energy: -669.844609
where:
bonds (distance) C4'-P energy: -128.358
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -142.065
flat angles P-C4'-P energy: -94.528
tors. eta vs tors. theta energy: -194.170
Dist. restrs. and SS energy: 8.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2200.471373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.471373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.853667 (E_RNA)
where:
Base-Base interactions energy: -1576.775
where: short stacking energy: -613.596
Base-Backbone interact. energy: 0.155
local terms energy: -634.233085
where:
bonds (distance) C4'-P energy: -124.185
bonds (distance) P-C4' energy: -120.561
flat angles C4'-P-C4' energy: -136.018
flat angles P-C4'-P energy: -77.257
tors. eta vs tors. theta energy: -176.211
Dist. restrs. and SS energy: 10.382 (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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -2116.371906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.371906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.556948 (E_RNA)
where:
Base-Base interactions energy: -1524.456
where: short stacking energy: -624.902
Base-Backbone interact. energy: -1.594
local terms energy: -612.506580
where:
bonds (distance) C4'-P energy: -95.815
bonds (distance) P-C4' energy: -110.722
flat angles C4'-P-C4' energy: -134.178
flat angles P-C4'-P energy: -92.158
tors. eta vs tors. theta energy: -179.634
Dist. restrs. and SS energy: 22.185 (S_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: -1900.979960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.979960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.678151 (E_RNA)
where:
Base-Base interactions energy: -1329.721
where: short stacking energy: -542.418
Base-Backbone interact. energy: -1.478
local terms energy: -616.478944
where:
bonds (distance) C4'-P energy: -116.822
bonds (distance) P-C4' energy: -123.859
flat angles C4'-P-C4' energy: -121.544
flat angles P-C4'-P energy: -97.427
tors. eta vs tors. theta energy: -156.828
Dist. restrs. and SS energy: 46.698 (S_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: 120
Temperature: 0.900000
Total energy: -2716.047935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.047935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.143431 (E_RNA)
where:
Base-Base interactions energy: -1916.666
where: short stacking energy: -801.151
Base-Backbone interact. energy: -3.513
local terms energy: -798.963808
where:
bonds (distance) C4'-P energy: -136.003
bonds (distance) P-C4' energy: -138.050
flat angles C4'-P-C4' energy: -166.955
flat angles P-C4'-P energy: -120.562
tors. eta vs tors. theta energy: -237.394
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2688.247574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.247574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.984639 (E_RNA)
where:
Base-Base interactions energy: -1898.095
where: short stacking energy: -758.986
Base-Backbone interact. energy: -0.452
local terms energy: -796.437515
where:
bonds (distance) C4'-P energy: -139.678
bonds (distance) P-C4' energy: -139.308
flat angles C4'-P-C4' energy: -162.815
flat angles P-C4'-P energy: -111.916
tors. eta vs tors. theta energy: -242.720
Dist. restrs. and SS energy: 6.737 (S_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: 120
Temperature: 1.000000
Total energy: -2629.231764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.231764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.136705 (E_RNA)
where:
Base-Base interactions energy: -1862.251
where: short stacking energy: -755.393
Base-Backbone interact. energy: -2.050
local terms energy: -769.836444
where:
bonds (distance) C4'-P energy: -118.697
bonds (distance) P-C4' energy: -146.486
flat angles C4'-P-C4' energy: -162.318
flat angles P-C4'-P energy: -104.320
tors. eta vs tors. theta energy: -238.015
Dist. restrs. and SS energy: 4.905 (S_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: -2530.472195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.472195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.369433 (E_RNA)
where:
Base-Base interactions energy: -1819.535
where: short stacking energy: -733.651
Base-Backbone interact. energy: -3.103
local terms energy: -713.730989
where:
bonds (distance) C4'-P energy: -113.626
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -153.686
flat angles P-C4'-P energy: -82.373
tors. eta vs tors. theta energy: -226.611
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: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2504.888256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.888256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.083531 (E_RNA)
where:
Base-Base interactions energy: -1769.799
where: short stacking energy: -735.707
Base-Backbone interact. energy: -2.383
local terms energy: -740.901835
where:
bonds (distance) C4'-P energy: -130.910
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -149.946
flat angles P-C4'-P energy: -104.873
tors. eta vs tors. theta energy: -237.894
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2394.774695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.774695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.916882 (E_RNA)
where:
Base-Base interactions energy: -1691.375
where: short stacking energy: -683.360
Base-Backbone interact. energy: -0.019
local terms energy: -721.522467
where:
bonds (distance) C4'-P energy: -128.652
bonds (distance) P-C4' energy: -130.202
flat angles C4'-P-C4' energy: -139.944
flat angles P-C4'-P energy: -95.469
tors. eta vs tors. theta energy: -227.256
Dist. restrs. and SS energy: 18.142 (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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2332.422060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.422060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.184399 (E_RNA)
where:
Base-Base interactions energy: -1669.848
where: short stacking energy: -669.398
Base-Backbone interact. energy: 0.777
local terms energy: -672.114308
where:
bonds (distance) C4'-P energy: -114.995
bonds (distance) P-C4' energy: -111.533
flat angles C4'-P-C4' energy: -135.002
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -213.486
Dist. restrs. and SS energy: 8.762 (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: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2169.693519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.693519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.213233 (E_RNA)
where:
Base-Base interactions energy: -1560.983
where: short stacking energy: -624.670
Base-Backbone interact. energy: 3.308
local terms energy: -626.538026
where:
bonds (distance) C4'-P energy: -112.476
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -127.885
flat angles P-C4'-P energy: -87.608
tors. eta vs tors. theta energy: -189.358
Dist. restrs. and SS energy: 14.520 (S_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: 120
Temperature: 1.300000
Total energy: -2136.450792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.450792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.139036 (E_RNA)
where:
Base-Base interactions energy: -1506.773
where: short stacking energy: -619.303
Base-Backbone interact. energy: -3.023
local terms energy: -644.342609
where:
bonds (distance) C4'-P energy: -102.779
bonds (distance) P-C4' energy: -126.540
flat angles C4'-P-C4' energy: -139.581
flat angles P-C4'-P energy: -76.237
tors. eta vs tors. theta energy: -199.205
Dist. restrs. and SS energy: 17.688 (S_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: -1925.011953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.011953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.671446 (E_RNA)
where:
Base-Base interactions energy: -1378.235
where: short stacking energy: -532.277
Base-Backbone interact. energy: -1.450
local terms energy: -562.986716
where:
bonds (distance) C4'-P energy: -91.821
bonds (distance) P-C4' energy: -110.823
flat angles C4'-P-C4' energy: -123.562
flat angles P-C4'-P energy: -94.068
tors. eta vs tors. theta energy: -142.713
Dist. restrs. and SS energy: 17.659 (S_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: 121
Temperature: 0.900000
Total energy: -2706.546235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.546235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.533814 (E_RNA)
where:
Base-Base interactions energy: -1919.206
where: short stacking energy: -766.799
Base-Backbone interact. energy: -3.108
local terms energy: -788.219449
where:
bonds (distance) C4'-P energy: -132.818
bonds (distance) P-C4' energy: -145.644
flat angles C4'-P-C4' energy: -152.263
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -246.844
Dist. restrs. and SS energy: 3.988 (S_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: 121
Temperature: 0.950000
Total energy: -2655.287231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.287231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.660313 (E_RNA)
where:
Base-Base interactions energy: -1878.412
where: short stacking energy: -780.964
Base-Backbone interact. energy: 0.783
local terms energy: -785.030668
where:
bonds (distance) C4'-P energy: -134.806
bonds (distance) P-C4' energy: -133.503
flat angles C4'-P-C4' energy: -164.458
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -241.938
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: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2614.067220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.067220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.243413 (E_RNA)
where:
Base-Base interactions energy: -1873.157
where: short stacking energy: -736.771
Base-Backbone interact. energy: -3.232
local terms energy: -747.855033
where:
bonds (distance) C4'-P energy: -127.456
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -156.223
flat angles P-C4'-P energy: -111.148
tors. eta vs tors. theta energy: -222.801
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: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2539.335429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.335429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.930779 (E_RNA)
where:
Base-Base interactions energy: -1783.863
where: short stacking energy: -742.348
Base-Backbone interact. energy: -1.597
local terms energy: -759.470847
where:
bonds (distance) C4'-P energy: -134.045
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -162.220
flat angles P-C4'-P energy: -109.554
tors. eta vs tors. theta energy: -225.431
Dist. restrs. and SS energy: 5.595 (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: 121
Temperature: 1.100000
Total energy: -2472.732476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.732476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.270664 (E_RNA)
where:
Base-Base interactions energy: -1743.827
where: short stacking energy: -710.684
Base-Backbone interact. energy: -0.991
local terms energy: -737.452619
where:
bonds (distance) C4'-P energy: -119.385
bonds (distance) P-C4' energy: -144.887
flat angles C4'-P-C4' energy: -155.265
flat angles P-C4'-P energy: -104.736
tors. eta vs tors. theta energy: -213.180
Dist. restrs. and SS energy: 9.538 (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: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2363.906915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.906915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.249395 (E_RNA)
where:
Base-Base interactions energy: -1670.660
where: short stacking energy: -671.223
Base-Backbone interact. energy: -3.440
local terms energy: -704.149238
where:
bonds (distance) C4'-P energy: -119.348
bonds (distance) P-C4' energy: -121.773
flat angles C4'-P-C4' energy: -154.724
flat angles P-C4'-P energy: -98.653
tors. eta vs tors. theta energy: -209.651
Dist. restrs. and SS energy: 14.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2310.502327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.502327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.489736 (E_RNA)
where:
Base-Base interactions energy: -1666.229
where: short stacking energy: -670.217
Base-Backbone interact. energy: 1.872
local terms energy: -656.132747
where:
bonds (distance) C4'-P energy: -120.578
bonds (distance) P-C4' energy: -113.289
flat angles C4'-P-C4' energy: -131.303
flat angles P-C4'-P energy: -80.344
tors. eta vs tors. theta energy: -210.619
Dist. restrs. and SS energy: 9.987 (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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2214.743223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.743223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.331101 (E_RNA)
where:
Base-Base interactions energy: -1536.557
where: short stacking energy: -620.778
Base-Backbone interact. energy: -1.077
local terms energy: -688.697643
where:
bonds (distance) C4'-P energy: -121.385
bonds (distance) P-C4' energy: -130.160
flat angles C4'-P-C4' energy: -147.502
flat angles P-C4'-P energy: -85.833
tors. eta vs tors. theta energy: -203.818
Dist. restrs. and SS energy: 11.588 (S_DIST_RNA)
chem. 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: -2160.313121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.313121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.544960 (E_RNA)
where:
Base-Base interactions energy: -1542.804
where: short stacking energy: -618.877
Base-Backbone interact. energy: -3.274
local terms energy: -626.467079
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -111.230
flat angles C4'-P-C4' energy: -136.034
flat angles P-C4'-P energy: -85.025
tors. eta vs tors. theta energy: -181.297
Dist. restrs. and SS energy: 12.232 (S_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: -1914.821769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.821769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.957316 (E_RNA)
where:
Base-Base interactions energy: -1330.757
where: short stacking energy: -529.953
Base-Backbone interact. energy: 0.706
local terms energy: -607.906530
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -122.528
flat angles C4'-P-C4' energy: -127.209
flat angles P-C4'-P energy: -84.607
tors. eta vs tors. theta energy: -162.478
Dist. restrs. and SS energy: 23.136 (S_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: 122
Temperature: 0.900000
Total energy: -2712.444050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.444050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.158339 (E_RNA)
where:
Base-Base interactions energy: -1906.987
where: short stacking energy: -782.853
Base-Backbone interact. energy: -3.392
local terms energy: -806.779855
where:
bonds (distance) C4'-P energy: -153.398
bonds (distance) P-C4' energy: -137.982
flat angles C4'-P-C4' energy: -160.266
flat angles P-C4'-P energy: -105.930
tors. eta vs tors. theta energy: -249.204
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: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2665.129886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.129886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.724800 (E_RNA)
where:
Base-Base interactions energy: -1883.113
where: short stacking energy: -767.243
Base-Backbone interact. energy: -0.934
local terms energy: -785.677358
where:
bonds (distance) C4'-P energy: -139.480
bonds (distance) P-C4' energy: -136.407
flat angles C4'-P-C4' energy: -164.422
flat angles P-C4'-P energy: -115.195
tors. eta vs tors. theta energy: -230.173
Dist. restrs. and SS energy: 4.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2627.742618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.742618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.633716 (E_RNA)
where:
Base-Base interactions energy: -1878.344
where: short stacking energy: -756.288
Base-Backbone interact. energy: -3.560
local terms energy: -752.730272
where:
bonds (distance) C4'-P energy: -135.463
bonds (distance) P-C4' energy: -134.326
flat angles C4'-P-C4' energy: -161.966
flat angles P-C4'-P energy: -95.928
tors. eta vs tors. theta energy: -225.047
Dist. restrs. and SS energy: 6.891 (S_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: -2573.255194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.255194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.844235 (E_RNA)
where:
Base-Base interactions energy: -1828.417
where: short stacking energy: -726.583
Base-Backbone interact. energy: -0.426
local terms energy: -748.000614
where:
bonds (distance) C4'-P energy: -122.672
bonds (distance) P-C4' energy: -140.971
flat angles C4'-P-C4' energy: -159.073
flat angles P-C4'-P energy: -104.068
tors. eta vs tors. theta energy: -221.217
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2462.805428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.805428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.303008 (E_RNA)
where:
Base-Base interactions energy: -1729.096
where: short stacking energy: -712.553
Base-Backbone interact. energy: -0.684
local terms energy: -743.522637
where:
bonds (distance) C4'-P energy: -121.875
bonds (distance) P-C4' energy: -121.477
flat angles C4'-P-C4' energy: -165.362
flat angles P-C4'-P energy: -105.948
tors. eta vs tors. theta energy: -228.861
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: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2333.371082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.371082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.922647 (E_RNA)
where:
Base-Base interactions energy: -1682.958
where: short stacking energy: -694.745
Base-Backbone interact. energy: 0.843
local terms energy: -672.807670
where:
bonds (distance) C4'-P energy: -103.384
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -141.229
flat angles P-C4'-P energy: -98.102
tors. eta vs tors. theta energy: -214.252
Dist. restrs. and SS energy: 21.552 (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: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2313.481042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.481042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.705817 (E_RNA)
where:
Base-Base interactions energy: -1682.765
where: short stacking energy: -685.659
Base-Backbone interact. energy: -2.924
local terms energy: -639.016164
where:
bonds (distance) C4'-P energy: -113.426
bonds (distance) P-C4' energy: -117.321
flat angles C4'-P-C4' energy: -140.390
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -200.065
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: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2250.148456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.148456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.484234 (E_RNA)
where:
Base-Base interactions energy: -1608.736
where: short stacking energy: -680.214
Base-Backbone interact. energy: 2.304
local terms energy: -664.053060
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -108.653
flat angles C4'-P-C4' energy: -124.674
flat angles P-C4'-P energy: -101.415
tors. eta vs tors. theta energy: -212.166
Dist. restrs. and SS energy: 20.336 (S_DIST_RNA)
chem. 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: -2090.170347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.170347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.104921 (E_RNA)
where:
Base-Base interactions energy: -1520.490
where: short stacking energy: -600.327
Base-Backbone interact. energy: -0.341
local terms energy: -584.273332
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -120.643
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -169.821
Dist. restrs. and SS energy: 14.935 (S_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: -1907.682256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.682256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.874902 (E_RNA)
where:
Base-Base interactions energy: -1346.404
where: short stacking energy: -553.649
Base-Backbone interact. energy: -1.110
local terms energy: -595.360690
where:
bonds (distance) C4'-P energy: -109.770
bonds (distance) P-C4' energy: -103.221
flat angles C4'-P-C4' energy: -136.133
flat angles P-C4'-P energy: -92.150
tors. eta vs tors. theta energy: -154.088
Dist. restrs. and SS energy: 35.193 (S_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: 123
Temperature: 0.900000
Total energy: -2722.609649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.609649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.122968 (E_RNA)
where:
Base-Base interactions energy: -1921.670
where: short stacking energy: -783.890
Base-Backbone interact. energy: -2.123
local terms energy: -801.330383
where:
bonds (distance) C4'-P energy: -147.159
bonds (distance) P-C4' energy: -139.690
flat angles C4'-P-C4' energy: -159.649
flat angles P-C4'-P energy: -110.855
tors. eta vs tors. theta energy: -243.977
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2676.928619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.928619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.147949 (E_RNA)
where:
Base-Base interactions energy: -1893.993
where: short stacking energy: -794.644
Base-Backbone interact. energy: -2.838
local terms energy: -790.316754
where:
bonds (distance) C4'-P energy: -124.022
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -171.694
flat angles P-C4'-P energy: -113.101
tors. eta vs tors. theta energy: -245.693
Dist. restrs. and SS energy: 10.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2631.704289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.704289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.969020 (E_RNA)
where:
Base-Base interactions energy: -1853.626
where: short stacking energy: -776.397
Base-Backbone interact. energy: -1.646
local terms energy: -781.696642
where:
bonds (distance) C4'-P energy: -144.407
bonds (distance) P-C4' energy: -131.525
flat angles C4'-P-C4' energy: -160.694
flat angles P-C4'-P energy: -108.549
tors. eta vs tors. theta energy: -236.521
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: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2546.733449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.733449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.832765 (E_RNA)
where:
Base-Base interactions energy: -1807.516
where: short stacking energy: -746.179
Base-Backbone interact. energy: -1.102
local terms energy: -743.215258
where:
bonds (distance) C4'-P energy: -125.647
bonds (distance) P-C4' energy: -118.501
flat angles C4'-P-C4' energy: -172.316
flat angles P-C4'-P energy: -98.974
tors. eta vs tors. theta energy: -227.778
Dist. restrs. and SS energy: 5.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2476.926021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.926021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.581731 (E_RNA)
where:
Base-Base interactions energy: -1774.443
where: short stacking energy: -708.731
Base-Backbone interact. energy: -1.666
local terms energy: -709.473066
where:
bonds (distance) C4'-P energy: -123.642
bonds (distance) P-C4' energy: -119.915
flat angles C4'-P-C4' energy: -148.870
flat angles P-C4'-P energy: -93.012
tors. eta vs tors. theta energy: -224.033
Dist. restrs. and SS energy: 8.656 (S_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: 123
Temperature: 1.150000
Total energy: -2345.775802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.775802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.119247 (E_RNA)
where:
Base-Base interactions energy: -1689.965
where: short stacking energy: -666.918
Base-Backbone interact. energy: -1.680
local terms energy: -660.473727
where:
bonds (distance) C4'-P energy: -103.762
bonds (distance) P-C4' energy: -129.513
flat angles C4'-P-C4' energy: -143.608
flat angles P-C4'-P energy: -82.728
tors. eta vs tors. theta energy: -200.863
Dist. restrs. and SS energy: 6.343 (S_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: 123
Temperature: 1.200000
Total energy: -2260.967288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.967288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.378812 (E_RNA)
where:
Base-Base interactions energy: -1630.612
where: short stacking energy: -655.870
Base-Backbone interact. energy: 3.875
local terms energy: -649.641367
where:
bonds (distance) C4'-P energy: -104.404
bonds (distance) P-C4' energy: -98.426
flat angles C4'-P-C4' energy: -148.119
flat angles P-C4'-P energy: -103.131
tors. eta vs tors. theta energy: -195.562
Dist. restrs. and SS energy: 15.412 (S_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: 123
Temperature: 1.250000
Total energy: -2142.393968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.393968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.050071 (E_RNA)
where:
Base-Base interactions energy: -1535.488
where: short stacking energy: -629.624
Base-Backbone interact. energy: -1.443
local terms energy: -613.118964
where:
bonds (distance) C4'-P energy: -102.341
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -133.381
flat angles P-C4'-P energy: -87.627
tors. eta vs tors. theta energy: -183.677
Dist. restrs. and SS energy: 7.656 (S_DIST_RNA)
chem. 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: -2083.734854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.734854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.045673 (E_RNA)
where:
Base-Base interactions energy: -1493.455
where: short stacking energy: -612.012
Base-Backbone interact. energy: -0.497
local terms energy: -605.094056
where:
bonds (distance) C4'-P energy: -105.561
bonds (distance) P-C4' energy: -118.229
flat angles C4'-P-C4' energy: -118.849
flat angles P-C4'-P energy: -80.574
tors. eta vs tors. theta energy: -181.881
Dist. restrs. and SS energy: 15.311 (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: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1907.946059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.946059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.215297 (E_RNA)
where:
Base-Base interactions energy: -1352.993
where: short stacking energy: -532.987
Base-Backbone interact. energy: -1.766
local terms energy: -571.456633
where:
bonds (distance) C4'-P energy: -104.953
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -88.843
tors. eta vs tors. theta energy: -155.061
Dist. restrs. and SS energy: 18.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2723.071495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.071495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.047067 (E_RNA)
where:
Base-Base interactions energy: -1954.650
where: short stacking energy: -776.703
Base-Backbone interact. energy: -1.944
local terms energy: -774.452846
where:
bonds (distance) C4'-P energy: -146.340
bonds (distance) P-C4' energy: -123.080
flat angles C4'-P-C4' energy: -167.733
flat angles P-C4'-P energy: -111.033
tors. eta vs tors. theta energy: -226.268
Dist. restrs. and SS energy: 7.976 (S_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: 124
Temperature: 0.950000
Total energy: -2642.668192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.668192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.774791 (E_RNA)
where:
Base-Base interactions energy: -1857.685
where: short stacking energy: -764.936
Base-Backbone interact. energy: -2.565
local terms energy: -784.525312
where:
bonds (distance) C4'-P energy: -124.846
bonds (distance) P-C4' energy: -145.917
flat angles C4'-P-C4' energy: -163.505
flat angles P-C4'-P energy: -110.646
tors. eta vs tors. theta energy: -239.611
Dist. restrs. and SS energy: 2.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2675.691838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.691838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.418481 (E_RNA)
where:
Base-Base interactions energy: -1882.616
where: short stacking energy: -766.155
Base-Backbone interact. energy: -1.192
local terms energy: -798.610952
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -153.268
flat angles C4'-P-C4' energy: -165.772
flat angles P-C4'-P energy: -104.265
tors. eta vs tors. theta energy: -243.556
Dist. restrs. and SS energy: 6.727 (S_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: -2517.489561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.489561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.077068 (E_RNA)
where:
Base-Base interactions energy: -1779.124
where: short stacking energy: -717.992
Base-Backbone interact. energy: 1.480
local terms energy: -744.432277
where:
bonds (distance) C4'-P energy: -124.851
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -147.335
flat angles P-C4'-P energy: -97.969
tors. eta vs tors. theta energy: -230.340
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: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2461.699441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.699441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.985535 (E_RNA)
where:
Base-Base interactions energy: -1738.392
where: short stacking energy: -741.582
Base-Backbone interact. energy: 0.067
local terms energy: -729.660675
where:
bonds (distance) C4'-P energy: -134.776
bonds (distance) P-C4' energy: -118.115
flat angles C4'-P-C4' energy: -143.975
flat angles P-C4'-P energy: -109.666
tors. eta vs tors. theta energy: -223.128
Dist. restrs. and SS energy: 6.286 (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: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2353.352079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.352079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.946551 (E_RNA)
where:
Base-Base interactions energy: -1676.613
where: short stacking energy: -694.242
Base-Backbone interact. energy: 1.274
local terms energy: -690.607615
where:
bonds (distance) C4'-P energy: -109.726
bonds (distance) P-C4' energy: -129.808
flat angles C4'-P-C4' energy: -142.658
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -219.339
Dist. restrs. and SS energy: 12.594 (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: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2312.511869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.511869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.126433 (E_RNA)
where:
Base-Base interactions energy: -1664.872
where: short stacking energy: -676.032
Base-Backbone interact. energy: -4.539
local terms energy: -664.715613
where:
bonds (distance) C4'-P energy: -105.831
bonds (distance) P-C4' energy: -124.994
flat angles C4'-P-C4' energy: -135.793
flat angles P-C4'-P energy: -91.718
tors. eta vs tors. theta energy: -206.379
Dist. restrs. and SS energy: 21.615 (S_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: 124
Temperature: 1.250000
Total energy: -2103.631391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.631391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.852302 (E_RNA)
where:
Base-Base interactions energy: -1496.051
where: short stacking energy: -606.072
Base-Backbone interact. energy: -1.756
local terms energy: -620.045432
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -113.721
flat angles C4'-P-C4' energy: -139.584
flat angles P-C4'-P energy: -94.252
tors. eta vs tors. theta energy: -180.145
Dist. restrs. and SS energy: 14.221 (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: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1978.425912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.425912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.496049 (E_RNA)
where:
Base-Base interactions energy: -1398.503
where: short stacking energy: -571.888
Base-Backbone interact. energy: 1.191
local terms energy: -608.184441
where:
bonds (distance) C4'-P energy: -115.912
bonds (distance) P-C4' energy: -101.291
flat angles C4'-P-C4' energy: -145.436
flat angles P-C4'-P energy: -78.067
tors. eta vs tors. theta energy: -167.480
Dist. restrs. and SS energy: 27.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -2016.254921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.254921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.492783 (E_RNA)
where:
Base-Base interactions energy: -1444.774
where: short stacking energy: -582.369
Base-Backbone interact. energy: -3.973
local terms energy: -584.745737
where:
bonds (distance) C4'-P energy: -103.329
bonds (distance) P-C4' energy: -112.567
flat angles C4'-P-C4' energy: -107.383
flat angles P-C4'-P energy: -89.440
tors. eta vs tors. theta energy: -172.027
Dist. restrs. and SS energy: 17.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2725.431669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.431669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.525999 (E_RNA)
where:
Base-Base interactions energy: -1951.156
where: short stacking energy: -808.598
Base-Backbone interact. energy: -2.810
local terms energy: -781.560040
where:
bonds (distance) C4'-P energy: -130.935
bonds (distance) P-C4' energy: -143.935
flat angles C4'-P-C4' energy: -155.924
flat angles P-C4'-P energy: -112.044
tors. eta vs tors. theta energy: -238.722
Dist. restrs. and SS energy: 10.094 (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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2668.996559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.996559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.634333 (E_RNA)
where:
Base-Base interactions energy: -1880.146
where: short stacking energy: -773.585
Base-Backbone interact. energy: -0.024
local terms energy: -791.464017
where:
bonds (distance) C4'-P energy: -147.250
bonds (distance) P-C4' energy: -126.365
flat angles C4'-P-C4' energy: -163.010
flat angles P-C4'-P energy: -120.320
tors. eta vs tors. theta energy: -234.518
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2616.033189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.033189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.116870 (E_RNA)
where:
Base-Base interactions energy: -1855.846
where: short stacking energy: -757.726
Base-Backbone interact. energy: 0.412
local terms energy: -764.683341
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -124.879
flat angles C4'-P-C4' energy: -175.839
flat angles P-C4'-P energy: -111.783
tors. eta vs tors. theta energy: -225.762
Dist. restrs. and SS energy: 4.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2550.385836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.385836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.492447 (E_RNA)
where:
Base-Base interactions energy: -1827.740
where: short stacking energy: -751.960
Base-Backbone interact. energy: -2.714
local terms energy: -725.038523
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -154.773
flat angles P-C4'-P energy: -108.941
tors. eta vs tors. theta energy: -224.744
Dist. restrs. and SS energy: 5.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2478.623167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.623167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.395271 (E_RNA)
where:
Base-Base interactions energy: -1785.844
where: short stacking energy: -736.492
Base-Backbone interact. energy: 2.208
local terms energy: -704.759502
where:
bonds (distance) C4'-P energy: -125.611
bonds (distance) P-C4' energy: -106.254
flat angles C4'-P-C4' energy: -143.276
flat angles P-C4'-P energy: -107.231
tors. eta vs tors. theta energy: -222.388
Dist. restrs. and SS energy: 9.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2390.970884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.970884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.014269 (E_RNA)
where:
Base-Base interactions energy: -1715.296
where: short stacking energy: -675.595
Base-Backbone interact. energy: 0.615
local terms energy: -687.333461
where:
bonds (distance) C4'-P energy: -128.824
bonds (distance) P-C4' energy: -127.712
flat angles C4'-P-C4' energy: -136.276
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -205.787
Dist. restrs. and SS energy: 11.043 (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: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2307.304992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.304992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.882064 (E_RNA)
where:
Base-Base interactions energy: -1667.552
where: short stacking energy: -662.667
Base-Backbone interact. energy: -3.158
local terms energy: -656.171433
where:
bonds (distance) C4'-P energy: -115.099
bonds (distance) P-C4' energy: -108.946
flat angles C4'-P-C4' energy: -139.882
flat angles P-C4'-P energy: -87.195
tors. eta vs tors. theta energy: -205.049
Dist. restrs. and SS energy: 19.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -2219.254682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.254682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.114893 (E_RNA)
where:
Base-Base interactions energy: -1579.967
where: short stacking energy: -622.938
Base-Backbone interact. energy: -1.604
local terms energy: -651.543520
where:
bonds (distance) C4'-P energy: -105.855
bonds (distance) P-C4' energy: -114.765
flat angles C4'-P-C4' energy: -155.818
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -190.816
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: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -2000.547015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.547015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.568731 (E_RNA)
where:
Base-Base interactions energy: -1409.846
where: short stacking energy: -573.539
Base-Backbone interact. energy: -1.839
local terms energy: -622.883080
where:
bonds (distance) C4'-P energy: -104.201
bonds (distance) P-C4' energy: -117.423
flat angles C4'-P-C4' energy: -126.146
flat angles P-C4'-P energy: -92.178
tors. eta vs tors. theta energy: -182.936
Dist. restrs. and SS energy: 34.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1992.640317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.640317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.501475 (E_RNA)
where:
Base-Base interactions energy: -1420.630
where: short stacking energy: -564.210
Base-Backbone interact. energy: 1.079
local terms energy: -589.950625
where:
bonds (distance) C4'-P energy: -108.766
bonds (distance) P-C4' energy: -106.472
flat angles C4'-P-C4' energy: -134.360
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -162.913
Dist. restrs. and SS energy: 16.861 (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: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2721.971460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.971460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.016340 (E_RNA)
where:
Base-Base interactions energy: -1900.028
where: short stacking energy: -776.910
Base-Backbone interact. energy: 0.296
local terms energy: -824.284515
where:
bonds (distance) C4'-P energy: -141.539
bonds (distance) P-C4' energy: -147.301
flat angles C4'-P-C4' energy: -164.505
flat angles P-C4'-P energy: -127.477
tors. eta vs tors. theta energy: -243.462
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2658.832925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.832925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.566257 (E_RNA)
where:
Base-Base interactions energy: -1881.251
where: short stacking energy: -768.932
Base-Backbone interact. energy: -1.602
local terms energy: -786.713242
where:
bonds (distance) C4'-P energy: -142.585
bonds (distance) P-C4' energy: -137.384
flat angles C4'-P-C4' energy: -158.411
flat angles P-C4'-P energy: -108.106
tors. eta vs tors. theta energy: -240.226
Dist. restrs. and SS energy: 10.733 (S_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: 126
Temperature: 1.000000
Total energy: -2638.890074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.890074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.256605 (E_RNA)
where:
Base-Base interactions energy: -1881.796
where: short stacking energy: -777.482
Base-Backbone interact. energy: -4.104
local terms energy: -758.357299
where:
bonds (distance) C4'-P energy: -127.996
bonds (distance) P-C4' energy: -129.607
flat angles C4'-P-C4' energy: -149.599
flat angles P-C4'-P energy: -115.622
tors. eta vs tors. theta energy: -235.533
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: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2536.300988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.125736 (E_RNA)
where:
Base-Base interactions energy: -1782.551
where: short stacking energy: -727.983
Base-Backbone interact. energy: -3.586
local terms energy: -753.988881
where:
bonds (distance) C4'-P energy: -128.829
bonds (distance) P-C4' energy: -133.032
flat angles C4'-P-C4' energy: -157.512
flat angles P-C4'-P energy: -104.933
tors. eta vs tors. theta energy: -229.683
Dist. restrs. and SS energy: 3.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2508.528856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.528856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.154549 (E_RNA)
where:
Base-Base interactions energy: -1775.328
where: short stacking energy: -728.141
Base-Backbone interact. energy: 0.936
local terms energy: -743.762102
where:
bonds (distance) C4'-P energy: -118.389
bonds (distance) P-C4' energy: -125.342
flat angles C4'-P-C4' energy: -147.728
flat angles P-C4'-P energy: -113.563
tors. eta vs tors. theta energy: -238.741
Dist. restrs. and SS energy: 9.626 (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: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2363.091812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.091812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.009557 (E_RNA)
where:
Base-Base interactions energy: -1690.180
where: short stacking energy: -682.063
Base-Backbone interact. energy: -1.747
local terms energy: -686.082960
where:
bonds (distance) C4'-P energy: -95.990
bonds (distance) P-C4' energy: -127.764
flat angles C4'-P-C4' energy: -149.004
flat angles P-C4'-P energy: -102.339
tors. eta vs tors. theta energy: -210.987
Dist. restrs. and SS energy: 14.918 (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: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2318.943813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.943813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.953780 (E_RNA)
where:
Base-Base interactions energy: -1666.251
where: short stacking energy: -676.424
Base-Backbone interact. energy: 0.045
local terms energy: -673.747694
where:
bonds (distance) C4'-P energy: -123.020
bonds (distance) P-C4' energy: -99.859
flat angles C4'-P-C4' energy: -153.016
flat angles P-C4'-P energy: -96.928
tors. eta vs tors. theta energy: -200.925
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: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2234.192226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.192226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.147169 (E_RNA)
where:
Base-Base interactions energy: -1619.047
where: short stacking energy: -665.081
Base-Backbone interact. energy: 1.417
local terms energy: -632.516968
where:
bonds (distance) C4'-P energy: -98.004
bonds (distance) P-C4' energy: -99.054
flat angles C4'-P-C4' energy: -138.642
flat angles P-C4'-P energy: -91.970
tors. eta vs tors. theta energy: -204.846
Dist. restrs. and SS energy: 15.955 (S_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: 126
Temperature: 1.300000
Total energy: -1965.725355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.725355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.778103 (E_RNA)
where:
Base-Base interactions energy: -1445.497
where: short stacking energy: -566.184
Base-Backbone interact. energy: 2.848
local terms energy: -546.128884
where:
bonds (distance) C4'-P energy: -101.113
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -99.089
flat angles P-C4'-P energy: -79.843
tors. eta vs tors. theta energy: -157.525
Dist. restrs. and SS energy: 23.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -2005.800708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.800708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.700775 (E_RNA)
where:
Base-Base interactions energy: -1453.581
where: short stacking energy: -578.183
Base-Backbone interact. energy: -0.192
local terms energy: -566.927781
where:
bonds (distance) C4'-P energy: -97.687
bonds (distance) P-C4' energy: -116.518
flat angles C4'-P-C4' energy: -112.028
flat angles P-C4'-P energy: -74.734
tors. eta vs tors. theta energy: -165.961
Dist. restrs. and SS energy: 14.900 (S_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: 127
Temperature: 0.900000
Total energy: -2724.674953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.674953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.951631 (E_RNA)
where:
Base-Base interactions energy: -1937.208
where: short stacking energy: -804.019
Base-Backbone interact. energy: -1.705
local terms energy: -788.038578
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -154.464
flat angles C4'-P-C4' energy: -168.481
flat angles P-C4'-P energy: -107.263
tors. eta vs tors. theta energy: -235.423
Dist. restrs. and SS energy: 2.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2683.711224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.711224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.787400 (E_RNA)
where:
Base-Base interactions energy: -1915.081
where: short stacking energy: -765.037
Base-Backbone interact. energy: 0.452
local terms energy: -778.158034
where:
bonds (distance) C4'-P energy: -131.511
bonds (distance) P-C4' energy: -158.393
flat angles C4'-P-C4' energy: -154.573
flat angles P-C4'-P energy: -100.107
tors. eta vs tors. theta energy: -233.573
Dist. restrs. and SS energy: 9.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2623.233282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.233282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.003485 (E_RNA)
where:
Base-Base interactions energy: -1849.628
where: short stacking energy: -756.182
Base-Backbone interact. energy: -3.386
local terms energy: -775.989509
where:
bonds (distance) C4'-P energy: -133.438
bonds (distance) P-C4' energy: -142.109
flat angles C4'-P-C4' energy: -161.419
flat angles P-C4'-P energy: -112.629
tors. eta vs tors. theta energy: -226.394
Dist. restrs. and SS energy: 5.770 (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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2563.119315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.119315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.640743 (E_RNA)
where:
Base-Base interactions energy: -1799.868
where: short stacking energy: -758.900
Base-Backbone interact. energy: -1.206
local terms energy: -769.566793
where:
bonds (distance) C4'-P energy: -144.172
bonds (distance) P-C4' energy: -135.727
flat angles C4'-P-C4' energy: -152.420
flat angles P-C4'-P energy: -104.040
tors. eta vs tors. theta energy: -233.208
Dist. restrs. and SS energy: 7.521 (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: 127
Temperature: 1.100000
Total energy: -2497.316535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.316535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.754610 (E_RNA)
where:
Base-Base interactions energy: -1794.607
where: short stacking energy: -712.531
Base-Backbone interact. energy: -3.092
local terms energy: -703.055492
where:
bonds (distance) C4'-P energy: -121.605
bonds (distance) P-C4' energy: -105.158
flat angles C4'-P-C4' energy: -152.922
flat angles P-C4'-P energy: -98.617
tors. eta vs tors. theta energy: -224.754
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2345.122705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.122705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.207219 (E_RNA)
where:
Base-Base interactions energy: -1656.096
where: short stacking energy: -659.308
Base-Backbone interact. energy: -1.252
local terms energy: -705.858789
where:
bonds (distance) C4'-P energy: -115.314
bonds (distance) P-C4' energy: -129.807
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -98.560
tors. eta vs tors. theta energy: -212.124
Dist. restrs. and SS energy: 18.085 (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: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2270.903178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.903178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.655407 (E_RNA)
where:
Base-Base interactions energy: -1643.566
where: short stacking energy: -645.361
Base-Backbone interact. energy: -1.623
local terms energy: -640.466258
where:
bonds (distance) C4'-P energy: -119.482
bonds (distance) P-C4' energy: -102.162
flat angles C4'-P-C4' energy: -129.767
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -198.802
Dist. restrs. and SS energy: 14.752 (S_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: 127
Temperature: 1.250000
Total energy: -2185.440475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.300443 (E_RNA)
where:
Base-Base interactions energy: -1542.758
where: short stacking energy: -625.249
Base-Backbone interact. energy: 0.055
local terms energy: -658.597166
where:
bonds (distance) C4'-P energy: -115.703
bonds (distance) P-C4' energy: -120.171
flat angles C4'-P-C4' energy: -149.515
flat angles P-C4'-P energy: -83.981
tors. eta vs tors. theta energy: -189.226
Dist. restrs. and SS energy: 15.860 (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: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1979.680901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.664405 (E_RNA)
where:
Base-Base interactions energy: -1404.138
where: short stacking energy: -579.208
Base-Backbone interact. energy: 0.162
local terms energy: -601.688653
where:
bonds (distance) C4'-P energy: -102.329
bonds (distance) P-C4' energy: -98.999
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -92.200
tors. eta vs tors. theta energy: -172.666
Dist. restrs. and SS energy: 25.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -2050.907270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.907270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.363182 (E_RNA)
where:
Base-Base interactions energy: -1477.584
where: short stacking energy: -566.033
Base-Backbone interact. energy: -0.255
local terms energy: -579.524503
where:
bonds (distance) C4'-P energy: -87.168
bonds (distance) P-C4' energy: -123.360
flat angles C4'-P-C4' energy: -128.007
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -163.545
Dist. restrs. and SS energy: 6.456 (S_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: 128
Temperature: 0.900000
Total energy: -2709.892732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.892732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.029501 (E_RNA)
where:
Base-Base interactions energy: -1910.660
where: short stacking energy: -795.700
Base-Backbone interact. energy: -1.778
local terms energy: -803.591899
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -142.139
flat angles C4'-P-C4' energy: -159.220
flat angles P-C4'-P energy: -115.393
tors. eta vs tors. theta energy: -245.592
Dist. restrs. and SS energy: 6.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2652.978740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.978740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.041534 (E_RNA)
where:
Base-Base interactions energy: -1915.871
where: short stacking energy: -780.782
Base-Backbone interact. energy: -2.213
local terms energy: -744.957485
where:
bonds (distance) C4'-P energy: -114.926
bonds (distance) P-C4' energy: -131.759
flat angles C4'-P-C4' energy: -158.005
flat angles P-C4'-P energy: -102.615
tors. eta vs tors. theta energy: -237.652
Dist. restrs. and SS energy: 10.063 (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: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2627.646133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.646133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.982084 (E_RNA)
where:
Base-Base interactions energy: -1847.827
where: short stacking energy: -753.557
Base-Backbone interact. energy: -3.346
local terms energy: -780.808384
where:
bonds (distance) C4'-P energy: -138.166
bonds (distance) P-C4' energy: -143.321
flat angles C4'-P-C4' energy: -161.097
flat angles P-C4'-P energy: -105.442
tors. eta vs tors. theta energy: -232.782
Dist. restrs. and SS energy: 4.336 (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: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2594.916073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.916073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.208663 (E_RNA)
where:
Base-Base interactions energy: -1858.396
where: short stacking energy: -771.167
Base-Backbone interact. energy: -0.991
local terms energy: -741.821814
where:
bonds (distance) C4'-P energy: -129.326
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -161.182
flat angles P-C4'-P energy: -102.508
tors. eta vs tors. theta energy: -235.584
Dist. restrs. and SS energy: 6.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2476.633645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.633645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.324061 (E_RNA)
where:
Base-Base interactions energy: -1755.547
where: short stacking energy: -715.075
Base-Backbone interact. energy: -2.515
local terms energy: -723.262383
where:
bonds (distance) C4'-P energy: -133.799
bonds (distance) P-C4' energy: -131.031
flat angles C4'-P-C4' energy: -149.408
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -209.658
Dist. restrs. and SS energy: 4.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2320.087862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.087862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.423264 (E_RNA)
where:
Base-Base interactions energy: -1635.501
where: short stacking energy: -659.897
Base-Backbone interact. energy: -2.514
local terms energy: -701.408992
where:
bonds (distance) C4'-P energy: -111.850
bonds (distance) P-C4' energy: -132.798
flat angles C4'-P-C4' energy: -149.568
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -201.867
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2279.684751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.684751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.930004 (E_RNA)
where:
Base-Base interactions energy: -1649.925
where: short stacking energy: -667.428
Base-Backbone interact. energy: -1.495
local terms energy: -644.510130
where:
bonds (distance) C4'-P energy: -127.953
bonds (distance) P-C4' energy: -98.011
flat angles C4'-P-C4' energy: -128.944
flat angles P-C4'-P energy: -93.326
tors. eta vs tors. theta energy: -196.277
Dist. restrs. and SS energy: 16.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2197.898794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.898794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.542388 (E_RNA)
where:
Base-Base interactions energy: -1575.406
where: short stacking energy: -652.298
Base-Backbone interact. energy: 0.257
local terms energy: -645.393626
where:
bonds (distance) C4'-P energy: -96.973
bonds (distance) P-C4' energy: -131.838
flat angles C4'-P-C4' energy: -129.749
flat angles P-C4'-P energy: -91.151
tors. eta vs tors. theta energy: -195.684
Dist. restrs. and SS energy: 22.644 (S_DIST_RNA)
chem. 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: -2064.500804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.500804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.378689 (E_RNA)
where:
Base-Base interactions energy: -1487.018
where: short stacking energy: -593.008
Base-Backbone interact. energy: 0.042
local terms energy: -598.402901
where:
bonds (distance) C4'-P energy: -90.389
bonds (distance) P-C4' energy: -109.434
flat angles C4'-P-C4' energy: -142.840
flat angles P-C4'-P energy: -78.982
tors. eta vs tors. theta energy: -176.758
Dist. restrs. and SS energy: 20.878 (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: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1873.064284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.064284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.487899 (E_RNA)
where:
Base-Base interactions energy: -1338.330
where: short stacking energy: -519.156
Base-Backbone interact. energy: 3.448
local terms energy: -566.606267
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -112.212
flat angles C4'-P-C4' energy: -131.389
flat angles P-C4'-P energy: -77.414
tors. eta vs tors. theta energy: -141.274
Dist. restrs. and SS energy: 28.424 (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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2737.780993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.780993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.283534 (E_RNA)
where:
Base-Base interactions energy: -1907.201
where: short stacking energy: -786.053
Base-Backbone interact. energy: -1.310
local terms energy: -831.771849
where:
bonds (distance) C4'-P energy: -143.048
bonds (distance) P-C4' energy: -146.322
flat angles C4'-P-C4' energy: -171.466
flat angles P-C4'-P energy: -118.514
tors. eta vs tors. theta energy: -252.421
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: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2633.732657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.732657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.149560 (E_RNA)
where:
Base-Base interactions energy: -1845.052
where: short stacking energy: -743.815
Base-Backbone interact. energy: -2.955
local terms energy: -794.142029
where:
bonds (distance) C4'-P energy: -139.432
bonds (distance) P-C4' energy: -146.950
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -110.182
tors. eta vs tors. theta energy: -238.433
Dist. restrs. and SS energy: 8.417 (S_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: 129
Temperature: 1.000000
Total energy: -2598.046299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.046299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.524952 (E_RNA)
where:
Base-Base interactions energy: -1829.441
where: short stacking energy: -722.765
Base-Backbone interact. energy: 1.499
local terms energy: -772.582838
where:
bonds (distance) C4'-P energy: -136.612
bonds (distance) P-C4' energy: -131.580
flat angles C4'-P-C4' energy: -160.331
flat angles P-C4'-P energy: -114.141
tors. eta vs tors. theta energy: -229.919
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2554.466509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.350244 (E_RNA)
where:
Base-Base interactions energy: -1781.864
where: short stacking energy: -737.866
Base-Backbone interact. energy: -1.413
local terms energy: -778.073086
where:
bonds (distance) C4'-P energy: -141.321
bonds (distance) P-C4' energy: -133.692
flat angles C4'-P-C4' energy: -156.016
flat angles P-C4'-P energy: -115.018
tors. eta vs tors. theta energy: -232.026
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: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2495.162257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.162257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.831859 (E_RNA)
where:
Base-Base interactions energy: -1783.994
where: short stacking energy: -692.308
Base-Backbone interact. energy: -3.714
local terms energy: -711.123901
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -127.733
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -114.939
tors. eta vs tors. theta energy: -212.200
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: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2359.373723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.373723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.129489 (E_RNA)
where:
Base-Base interactions energy: -1676.080
where: short stacking energy: -691.606
Base-Backbone interact. energy: -1.550
local terms energy: -692.499731
where:
bonds (distance) C4'-P energy: -126.745
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -135.882
flat angles P-C4'-P energy: -85.521
tors. eta vs tors. theta energy: -218.475
Dist. restrs. and SS energy: 10.756 (S_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: 129
Temperature: 1.200000
Total energy: -2290.005606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.005606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.399004 (E_RNA)
where:
Base-Base interactions energy: -1611.365
where: short stacking energy: -659.523
Base-Backbone interact. energy: -0.856
local terms energy: -703.178255
where:
bonds (distance) C4'-P energy: -137.094
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -151.398
flat angles P-C4'-P energy: -93.363
tors. eta vs tors. theta energy: -203.488
Dist. restrs. and SS energy: 25.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2185.574187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.574187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.580717 (E_RNA)
where:
Base-Base interactions energy: -1568.517
where: short stacking energy: -610.312
Base-Backbone interact. energy: 0.690
local terms energy: -640.754067
where:
bonds (distance) C4'-P energy: -112.626
bonds (distance) P-C4' energy: -104.043
flat angles C4'-P-C4' energy: -139.578
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -191.396
Dist. restrs. and SS energy: 23.007 (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: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -2152.983144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.983144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.496159 (E_RNA)
where:
Base-Base interactions energy: -1538.829
where: short stacking energy: -608.792
Base-Backbone interact. energy: -0.507
local terms energy: -629.160645
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -134.813
flat angles P-C4'-P energy: -86.470
tors. eta vs tors. theta energy: -200.012
Dist. restrs. and SS energy: 15.513 (S_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: -1905.611434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.611434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.146229 (E_RNA)
where:
Base-Base interactions energy: -1391.196
where: short stacking energy: -565.804
Base-Backbone interact. energy: 1.560
local terms energy: -543.509802
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -102.007
flat angles C4'-P-C4' energy: -116.666
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: -169.272
Dist. restrs. and SS energy: 27.535 (S_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: 130
Temperature: 0.900000
Total energy: -2716.231179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.231179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.893663 (E_RNA)
where:
Base-Base interactions energy: -1909.474
where: short stacking energy: -799.033
Base-Backbone interact. energy: -0.919
local terms energy: -809.500225
where:
bonds (distance) C4'-P energy: -145.571
bonds (distance) P-C4' energy: -143.663
flat angles C4'-P-C4' energy: -166.784
flat angles P-C4'-P energy: -117.217
tors. eta vs tors. theta energy: -236.266
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2649.912051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.912051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.664203 (E_RNA)
where:
Base-Base interactions energy: -1880.060
where: short stacking energy: -771.956
Base-Backbone interact. energy: -1.535
local terms energy: -781.068690
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -140.232
flat angles C4'-P-C4' energy: -155.377
flat angles P-C4'-P energy: -110.234
tors. eta vs tors. theta energy: -238.830
Dist. restrs. and SS energy: 12.752 (S_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: 130
Temperature: 1.000000
Total energy: -2566.501390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.501390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.788384 (E_RNA)
where:
Base-Base interactions energy: -1835.603
where: short stacking energy: -757.369
Base-Backbone interact. energy: -1.193
local terms energy: -735.992305
where:
bonds (distance) C4'-P energy: -109.953
bonds (distance) P-C4' energy: -120.871
flat angles C4'-P-C4' energy: -158.979
flat angles P-C4'-P energy: -116.893
tors. eta vs tors. theta energy: -229.297
Dist. restrs. and SS energy: 6.287 (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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2533.754998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.754998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.230130 (E_RNA)
where:
Base-Base interactions energy: -1783.135
where: short stacking energy: -730.839
Base-Backbone interact. energy: -1.059
local terms energy: -758.036318
where:
bonds (distance) C4'-P energy: -133.948
bonds (distance) P-C4' energy: -122.366
flat angles C4'-P-C4' energy: -157.606
flat angles P-C4'-P energy: -110.301
tors. eta vs tors. theta energy: -233.815
Dist. restrs. and SS energy: 8.475 (S_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: 130
Temperature: 1.100000
Total energy: -2478.686981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.686981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.910948 (E_RNA)
where:
Base-Base interactions energy: -1786.703
where: short stacking energy: -722.173
Base-Backbone interact. energy: -2.807
local terms energy: -693.401128
where:
bonds (distance) C4'-P energy: -110.823
bonds (distance) P-C4' energy: -123.461
flat angles C4'-P-C4' energy: -151.229
flat angles P-C4'-P energy: -96.619
tors. eta vs tors. theta energy: -211.269
Dist. restrs. and SS energy: 4.224 (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: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2337.118905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.118905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.965578 (E_RNA)
where:
Base-Base interactions energy: -1664.273
where: short stacking energy: -648.557
Base-Backbone interact. energy: 0.878
local terms energy: -689.570537
where:
bonds (distance) C4'-P energy: -115.392
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -144.948
flat angles P-C4'-P energy: -104.007
tors. eta vs tors. theta energy: -198.209
Dist. restrs. and SS energy: 15.847 (S_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: 130
Temperature: 1.200000
Total energy: -2279.908491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.908491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.546109 (E_RNA)
where:
Base-Base interactions energy: -1632.837
where: short stacking energy: -640.521
Base-Backbone interact. energy: -2.853
local terms energy: -659.855670
where:
bonds (distance) C4'-P energy: -113.835
bonds (distance) P-C4' energy: -123.841
flat angles C4'-P-C4' energy: -126.579
flat angles P-C4'-P energy: -90.660
tors. eta vs tors. theta energy: -204.941
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: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2193.049974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.049974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.064990 (E_RNA)
where:
Base-Base interactions energy: -1520.845
where: short stacking energy: -609.718
Base-Backbone interact. energy: -2.967
local terms energy: -684.253170
where:
bonds (distance) C4'-P energy: -138.951
bonds (distance) P-C4' energy: -134.094
flat angles C4'-P-C4' energy: -136.000
flat angles P-C4'-P energy: -88.551
tors. eta vs tors. theta energy: -186.657
Dist. restrs. and SS energy: 15.015 (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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -2135.055472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.055472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.887019 (E_RNA)
where:
Base-Base interactions energy: -1533.555
where: short stacking energy: -624.808
Base-Backbone interact. energy: -2.641
local terms energy: -611.691485
where:
bonds (distance) C4'-P energy: -99.322
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -129.770
flat angles P-C4'-P energy: -93.171
tors. eta vs tors. theta energy: -184.663
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: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1859.520924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.520924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.015788 (E_RNA)
where:
Base-Base interactions energy: -1352.015
where: short stacking energy: -572.682
Base-Backbone interact. energy: 0.289
local terms energy: -535.289349
where:
bonds (distance) C4'-P energy: -98.181
bonds (distance) P-C4' energy: -93.789
flat angles C4'-P-C4' energy: -114.459
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -159.825
Dist. restrs. and SS energy: 27.495 (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: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2738.148939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.148939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.138712 (E_RNA)
where:
Base-Base interactions energy: -1919.732
where: short stacking energy: -790.456
Base-Backbone interact. energy: -0.044
local terms energy: -822.362395
where:
bonds (distance) C4'-P energy: -133.733
bonds (distance) P-C4' energy: -162.431
flat angles C4'-P-C4' energy: -163.798
flat angles P-C4'-P energy: -121.364
tors. eta vs tors. theta energy: -241.036
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2650.779398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.779398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.220225 (E_RNA)
where:
Base-Base interactions energy: -1895.138
where: short stacking energy: -785.434
Base-Backbone interact. energy: -2.547
local terms energy: -766.535509
where:
bonds (distance) C4'-P energy: -130.110
bonds (distance) P-C4' energy: -123.449
flat angles C4'-P-C4' energy: -166.201
flat angles P-C4'-P energy: -106.259
tors. eta vs tors. theta energy: -240.516
Dist. restrs. and SS energy: 13.441 (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: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2621.824350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.824350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.784172 (E_RNA)
where:
Base-Base interactions energy: -1850.576
where: short stacking energy: -768.594
Base-Backbone interact. energy: -0.199
local terms energy: -778.009605
where:
bonds (distance) C4'-P energy: -144.992
bonds (distance) P-C4' energy: -121.311
flat angles C4'-P-C4' energy: -166.090
flat angles P-C4'-P energy: -110.462
tors. eta vs tors. theta energy: -235.156
Dist. restrs. and SS energy: 6.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2541.576383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.576383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.751724 (E_RNA)
where:
Base-Base interactions energy: -1785.183
where: short stacking energy: -731.173
Base-Backbone interact. energy: -1.830
local terms energy: -762.739445
where:
bonds (distance) C4'-P energy: -150.089
bonds (distance) P-C4' energy: -122.627
flat angles C4'-P-C4' energy: -176.162
flat angles P-C4'-P energy: -85.160
tors. eta vs tors. theta energy: -228.702
Dist. restrs. and SS energy: 8.175 (S_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: 131
Temperature: 1.100000
Total energy: -2509.392605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.392605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.328604 (E_RNA)
where:
Base-Base interactions energy: -1777.258
where: short stacking energy: -731.179
Base-Backbone interact. energy: -0.152
local terms energy: -735.918466
where:
bonds (distance) C4'-P energy: -124.655
bonds (distance) P-C4' energy: -119.509
flat angles C4'-P-C4' energy: -151.791
flat angles P-C4'-P energy: -98.781
tors. eta vs tors. theta energy: -241.182
Dist. restrs. and SS energy: 3.936 (S_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: 131
Temperature: 1.150000
Total energy: -2325.930338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.930338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.203812 (E_RNA)
where:
Base-Base interactions energy: -1645.702
where: short stacking energy: -647.627
Base-Backbone interact. energy: 2.983
local terms energy: -702.485247
where:
bonds (distance) C4'-P energy: -117.221
bonds (distance) P-C4' energy: -117.048
flat angles C4'-P-C4' energy: -150.389
flat angles P-C4'-P energy: -97.402
tors. eta vs tors. theta energy: -220.425
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: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2249.477384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.477384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.120000 (E_RNA)
where:
Base-Base interactions energy: -1607.820
where: short stacking energy: -641.670
Base-Backbone interact. energy: 2.096
local terms energy: -658.395074
where:
bonds (distance) C4'-P energy: -119.755
bonds (distance) P-C4' energy: -113.518
flat angles C4'-P-C4' energy: -123.181
flat angles P-C4'-P energy: -93.492
tors. eta vs tors. theta energy: -208.449
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: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2193.179293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.179293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.415835 (E_RNA)
where:
Base-Base interactions energy: -1551.438
where: short stacking energy: -606.166
Base-Backbone interact. energy: -3.087
local terms energy: -651.890302
where:
bonds (distance) C4'-P energy: -112.380
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -133.267
flat angles P-C4'-P energy: -89.614
tors. eta vs tors. theta energy: -194.244
Dist. restrs. and SS energy: 13.237 (S_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: 131
Temperature: 1.300000
Total energy: -2091.889438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.889438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.983869 (E_RNA)
where:
Base-Base interactions energy: -1483.466
where: short stacking energy: -603.828
Base-Backbone interact. energy: 0.220
local terms energy: -621.738178
where:
bonds (distance) C4'-P energy: -101.171
bonds (distance) P-C4' energy: -120.816
flat angles C4'-P-C4' energy: -139.433
flat angles P-C4'-P energy: -79.723
tors. eta vs tors. theta energy: -180.596
Dist. restrs. and SS energy: 13.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1888.384420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.384420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.275505 (E_RNA)
where:
Base-Base interactions energy: -1341.673
where: short stacking energy: -517.809
Base-Backbone interact. energy: 0.336
local terms energy: -569.938007
where:
bonds (distance) C4'-P energy: -95.279
bonds (distance) P-C4' energy: -120.938
flat angles C4'-P-C4' energy: -142.022
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -150.386
Dist. restrs. and SS energy: 22.891 (S_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: 132
Temperature: 0.900000
Total energy: -2740.546385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.546385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.122910 (E_RNA)
where:
Base-Base interactions energy: -1948.805
where: short stacking energy: -798.872
Base-Backbone interact. energy: 0.659
local terms energy: -794.977030
where:
bonds (distance) C4'-P energy: -152.273
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -164.930
flat angles P-C4'-P energy: -110.151
tors. eta vs tors. theta energy: -243.299
Dist. restrs. and SS energy: 2.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2696.100548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.100548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.868785 (E_RNA)
where:
Base-Base interactions energy: -1908.285
where: short stacking energy: -784.043
Base-Backbone interact. energy: -2.852
local terms energy: -795.731313
where:
bonds (distance) C4'-P energy: -131.707
bonds (distance) P-C4' energy: -137.971
flat angles C4'-P-C4' energy: -172.613
flat angles P-C4'-P energy: -112.709
tors. eta vs tors. theta energy: -240.730
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: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2597.150312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.150312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.373519 (E_RNA)
where:
Base-Base interactions energy: -1841.829
where: short stacking energy: -767.727
Base-Backbone interact. energy: -1.549
local terms energy: -758.995511
where:
bonds (distance) C4'-P energy: -118.198
bonds (distance) P-C4' energy: -130.305
flat angles C4'-P-C4' energy: -171.170
flat angles P-C4'-P energy: -115.396
tors. eta vs tors. theta energy: -223.927
Dist. restrs. and SS energy: 5.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2556.102525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.102525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.156914 (E_RNA)
where:
Base-Base interactions energy: -1781.342
where: short stacking energy: -723.601
Base-Backbone interact. energy: -1.102
local terms energy: -784.713255
where:
bonds (distance) C4'-P energy: -142.666
bonds (distance) P-C4' energy: -138.208
flat angles C4'-P-C4' energy: -167.501
flat angles P-C4'-P energy: -101.049
tors. eta vs tors. theta energy: -235.290
Dist. restrs. and SS energy: 11.054 (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: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2500.588225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.588225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.142609 (E_RNA)
where:
Base-Base interactions energy: -1763.812
where: short stacking energy: -708.302
Base-Backbone interact. energy: -2.563
local terms energy: -740.767626
where:
bonds (distance) C4'-P energy: -121.737
bonds (distance) P-C4' energy: -124.243
flat angles C4'-P-C4' energy: -161.942
flat angles P-C4'-P energy: -109.870
tors. eta vs tors. theta energy: -222.976
Dist. restrs. and SS energy: 6.554 (S_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: 132
Temperature: 1.150000
Total energy: -2319.844250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.844250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.694716 (E_RNA)
where:
Base-Base interactions energy: -1673.947
where: short stacking energy: -687.734
Base-Backbone interact. energy: 1.833
local terms energy: -671.580735
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -131.064
flat angles C4'-P-C4' energy: -133.351
flat angles P-C4'-P energy: -73.784
tors. eta vs tors. theta energy: -205.505
Dist. restrs. and SS energy: 23.850 (S_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: 132
Temperature: 1.200000
Total energy: -2249.998045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.998045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.200809 (E_RNA)
where:
Base-Base interactions energy: -1600.858
where: short stacking energy: -654.502
Base-Backbone interact. energy: -2.649
local terms energy: -666.694417
where:
bonds (distance) C4'-P energy: -114.404
bonds (distance) P-C4' energy: -113.950
flat angles C4'-P-C4' energy: -149.970
flat angles P-C4'-P energy: -89.293
tors. eta vs tors. theta energy: -199.078
Dist. restrs. and SS energy: 20.203 (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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2183.692204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.692204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.599220 (E_RNA)
where:
Base-Base interactions energy: -1567.126
where: short stacking energy: -624.826
Base-Backbone interact. energy: -0.259
local terms energy: -629.214529
where:
bonds (distance) C4'-P energy: -105.490
bonds (distance) P-C4' energy: -126.277
flat angles C4'-P-C4' energy: -136.388
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -192.310
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: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -2076.124709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.124709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.939165 (E_RNA)
where:
Base-Base interactions energy: -1483.832
where: short stacking energy: -590.013
Base-Backbone interact. energy: 1.902
local terms energy: -614.008924
where:
bonds (distance) C4'-P energy: -109.986
bonds (distance) P-C4' energy: -92.959
flat angles C4'-P-C4' energy: -147.756
flat angles P-C4'-P energy: -75.585
tors. eta vs tors. theta energy: -187.723
Dist. restrs. and SS energy: 19.814 (S_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: 132
Temperature: 1.350000
Total energy: -1900.988804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.988804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.113592 (E_RNA)
where:
Base-Base interactions energy: -1346.030
where: short stacking energy: -503.985
Base-Backbone interact. energy: 3.833
local terms energy: -579.916986
where:
bonds (distance) C4'-P energy: -111.446
bonds (distance) P-C4' energy: -110.113
flat angles C4'-P-C4' energy: -120.093
flat angles P-C4'-P energy: -85.152
tors. eta vs tors. theta energy: -153.112
Dist. restrs. and SS energy: 21.125 (S_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: 133
Temperature: 0.900000
Total energy: -2729.240619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.606282 (E_RNA)
where:
Base-Base interactions energy: -1931.261
where: short stacking energy: -780.744
Base-Backbone interact. energy: -2.076
local terms energy: -798.269137
where:
bonds (distance) C4'-P energy: -131.915
bonds (distance) P-C4' energy: -151.757
flat angles C4'-P-C4' energy: -161.828
flat angles P-C4'-P energy: -107.583
tors. eta vs tors. theta energy: -245.187
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: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2665.315574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.315574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.092913 (E_RNA)
where:
Base-Base interactions energy: -1880.566
where: short stacking energy: -759.995
Base-Backbone interact. energy: -1.090
local terms energy: -794.436648
where:
bonds (distance) C4'-P energy: -123.560
bonds (distance) P-C4' energy: -143.623
flat angles C4'-P-C4' energy: -168.692
flat angles P-C4'-P energy: -112.772
tors. eta vs tors. theta energy: -245.789
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2612.454802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.454802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.804623 (E_RNA)
where:
Base-Base interactions energy: -1871.198
where: short stacking energy: -781.306
Base-Backbone interact. energy: -2.979
local terms energy: -743.627331
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -119.635
flat angles C4'-P-C4' energy: -147.013
flat angles P-C4'-P energy: -110.705
tors. eta vs tors. theta energy: -243.867
Dist. restrs. and SS energy: 5.350 (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: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2589.361280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.361280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.422059 (E_RNA)
where:
Base-Base interactions energy: -1857.364
where: short stacking energy: -752.455
Base-Backbone interact. energy: -1.019
local terms energy: -740.039416
where:
bonds (distance) C4'-P energy: -123.553
bonds (distance) P-C4' energy: -131.365
flat angles C4'-P-C4' energy: -141.178
flat angles P-C4'-P energy: -110.283
tors. eta vs tors. theta energy: -233.660
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: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2483.607915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.607915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.037043 (E_RNA)
where:
Base-Base interactions energy: -1771.019
where: short stacking energy: -720.269
Base-Backbone interact. energy: -1.022
local terms energy: -715.995996
where:
bonds (distance) C4'-P energy: -107.466
bonds (distance) P-C4' energy: -128.041
flat angles C4'-P-C4' energy: -158.333
flat angles P-C4'-P energy: -91.289
tors. eta vs tors. theta energy: -230.868
Dist. restrs. and SS energy: 4.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2387.729585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.729585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.581316 (E_RNA)
where:
Base-Base interactions energy: -1677.583
where: short stacking energy: -682.385
Base-Backbone interact. energy: 0.696
local terms energy: -725.695064
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -131.101
flat angles C4'-P-C4' energy: -156.172
flat angles P-C4'-P energy: -99.984
tors. eta vs tors. theta energy: -215.341
Dist. restrs. and SS energy: 14.852 (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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2287.048563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.048563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.834825 (E_RNA)
where:
Base-Base interactions energy: -1632.857
where: short stacking energy: -619.616
Base-Backbone interact. energy: -1.748
local terms energy: -662.229038
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -129.681
flat angles C4'-P-C4' energy: -150.428
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -195.365
Dist. restrs. and SS energy: 9.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2236.144433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.144433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.648921 (E_RNA)
where:
Base-Base interactions energy: -1613.507
where: short stacking energy: -651.240
Base-Backbone interact. energy: -1.456
local terms energy: -629.685873
where:
bonds (distance) C4'-P energy: -112.461
bonds (distance) P-C4' energy: -96.779
flat angles C4'-P-C4' energy: -136.914
flat angles P-C4'-P energy: -86.195
tors. eta vs tors. theta energy: -197.337
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -2137.979770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.979770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.864609 (E_RNA)
where:
Base-Base interactions energy: -1535.306
where: short stacking energy: -612.960
Base-Backbone interact. energy: -2.165
local terms energy: -618.393635
where:
bonds (distance) C4'-P energy: -115.147
bonds (distance) P-C4' energy: -114.599
flat angles C4'-P-C4' energy: -134.228
flat angles P-C4'-P energy: -63.782
tors. eta vs tors. theta energy: -190.637
Dist. restrs. and SS energy: 17.885 (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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1828.840421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.840421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.574969 (E_RNA)
where:
Base-Base interactions energy: -1306.958
where: short stacking energy: -530.889
Base-Backbone interact. energy: -1.853
local terms energy: -554.763935
where:
bonds (distance) C4'-P energy: -107.630
bonds (distance) P-C4' energy: -106.152
flat angles C4'-P-C4' energy: -116.060
flat angles P-C4'-P energy: -74.966
tors. eta vs tors. theta energy: -149.955
Dist. restrs. and SS energy: 34.735 (S_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: 134
Temperature: 0.900000
Total energy: -2729.310367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.310367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.611142 (E_RNA)
where:
Base-Base interactions energy: -1938.437
where: short stacking energy: -794.443
Base-Backbone interact. energy: -1.239
local terms energy: -792.934299
where:
bonds (distance) C4'-P energy: -135.506
bonds (distance) P-C4' energy: -128.917
flat angles C4'-P-C4' energy: -165.066
flat angles P-C4'-P energy: -116.794
tors. eta vs tors. theta energy: -246.650
Dist. restrs. and SS energy: 3.301 (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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2678.736443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.736443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.677144 (E_RNA)
where:
Base-Base interactions energy: -1898.198
where: short stacking energy: -758.935
Base-Backbone interact. energy: -3.202
local terms energy: -785.276476
where:
bonds (distance) C4'-P energy: -139.370
bonds (distance) P-C4' energy: -122.137
flat angles C4'-P-C4' energy: -162.750
flat angles P-C4'-P energy: -122.175
tors. eta vs tors. theta energy: -238.844
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: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2595.223976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.223976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.901450 (E_RNA)
where:
Base-Base interactions energy: -1828.795
where: short stacking energy: -750.585
Base-Backbone interact. energy: -4.509
local terms energy: -766.597096
where:
bonds (distance) C4'-P energy: -136.197
bonds (distance) P-C4' energy: -137.879
flat angles C4'-P-C4' energy: -152.810
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -238.153
Dist. restrs. and SS energy: 4.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2550.032023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.032023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.404239 (E_RNA)
where:
Base-Base interactions energy: -1803.848
where: short stacking energy: -733.550
Base-Backbone interact. energy: 2.441
local terms energy: -759.996938
where:
bonds (distance) C4'-P energy: -125.420
bonds (distance) P-C4' energy: -140.955
flat angles C4'-P-C4' energy: -163.550
flat angles P-C4'-P energy: -104.409
tors. eta vs tors. theta energy: -225.662
Dist. restrs. and SS energy: 11.372 (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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2457.975004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.110777 (E_RNA)
where:
Base-Base interactions energy: -1762.923
where: short stacking energy: -723.939
Base-Backbone interact. energy: -1.331
local terms energy: -699.856809
where:
bonds (distance) C4'-P energy: -112.193
bonds (distance) P-C4' energy: -130.869
flat angles C4'-P-C4' energy: -153.980
flat angles P-C4'-P energy: -71.647
tors. eta vs tors. theta energy: -231.168
Dist. restrs. and SS energy: 6.136 (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: 134
Temperature: 1.150000
Total energy: -2359.182066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.182066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.762940 (E_RNA)
where:
Base-Base interactions energy: -1703.443
where: short stacking energy: -686.878
Base-Backbone interact. energy: 0.671
local terms energy: -671.990393
where:
bonds (distance) C4'-P energy: -128.605
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -140.905
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -208.682
Dist. restrs. and SS energy: 15.581 (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: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2286.148049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.148049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.153720 (E_RNA)
where:
Base-Base interactions energy: -1627.664
where: short stacking energy: -633.838
Base-Backbone interact. energy: 3.626
local terms energy: -673.115633
where:
bonds (distance) C4'-P energy: -98.523
bonds (distance) P-C4' energy: -138.534
flat angles C4'-P-C4' energy: -143.541
flat angles P-C4'-P energy: -94.197
tors. eta vs tors. theta energy: -198.321
Dist. restrs. and SS energy: 11.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2206.372228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.372228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.500708 (E_RNA)
where:
Base-Base interactions energy: -1567.956
where: short stacking energy: -652.937
Base-Backbone interact. energy: 2.414
local terms energy: -651.958336
where:
bonds (distance) C4'-P energy: -104.636
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -144.863
flat angles P-C4'-P energy: -99.352
tors. eta vs tors. theta energy: -197.707
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: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -2108.393036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.393036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.427366 (E_RNA)
where:
Base-Base interactions energy: -1533.317
where: short stacking energy: -619.883
Base-Backbone interact. energy: -2.536
local terms energy: -598.574655
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -90.067
flat angles C4'-P-C4' energy: -146.843
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -188.356
Dist. restrs. and SS energy: 26.034 (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: 134
Temperature: 1.350000
Total energy: -1885.641973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.641973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.342047 (E_RNA)
where:
Base-Base interactions energy: -1336.089
where: short stacking energy: -549.018
Base-Backbone interact. energy: -4.087
local terms energy: -576.165543
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -128.634
flat angles C4'-P-C4' energy: -120.188
flat angles P-C4'-P energy: -77.377
tors. eta vs tors. theta energy: -158.848
Dist. restrs. and SS energy: 30.700 (S_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: 135
Temperature: 0.900000
Total energy: -2726.919031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.919031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.687039 (E_RNA)
where:
Base-Base interactions energy: -1945.937
where: short stacking energy: -790.876
Base-Backbone interact. energy: -1.032
local terms energy: -782.718647
where:
bonds (distance) C4'-P energy: -138.817
bonds (distance) P-C4' energy: -138.584
flat angles C4'-P-C4' energy: -156.285
flat angles P-C4'-P energy: -107.456
tors. eta vs tors. theta energy: -241.577
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2679.769071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.769071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.776477 (E_RNA)
where:
Base-Base interactions energy: -1886.904
where: short stacking energy: -773.764
Base-Backbone interact. energy: -3.125
local terms energy: -802.747489
where:
bonds (distance) C4'-P energy: -126.776
bonds (distance) P-C4' energy: -134.332
flat angles C4'-P-C4' energy: -172.505
flat angles P-C4'-P energy: -123.297
tors. eta vs tors. theta energy: -245.838
Dist. restrs. and SS energy: 13.007 (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: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2618.806590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.806590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.406144 (E_RNA)
where:
Base-Base interactions energy: -1850.131
where: short stacking energy: -736.109
Base-Backbone interact. energy: 3.841
local terms energy: -778.115432
where:
bonds (distance) C4'-P energy: -120.290
bonds (distance) P-C4' energy: -143.553
flat angles C4'-P-C4' energy: -161.552
flat angles P-C4'-P energy: -122.516
tors. eta vs tors. theta energy: -230.204
Dist. restrs. and SS energy: 5.600 (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: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2543.596838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.596838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.131775 (E_RNA)
where:
Base-Base interactions energy: -1826.715
where: short stacking energy: -731.244
Base-Backbone interact. energy: -1.591
local terms energy: -717.825153
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -129.663
flat angles C4'-P-C4' energy: -159.262
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -232.320
Dist. restrs. and SS energy: 2.535 (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: 135
Temperature: 1.100000
Total energy: -2470.559166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.559166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.631166 (E_RNA)
where:
Base-Base interactions energy: -1756.451
where: short stacking energy: -697.141
Base-Backbone interact. energy: -5.557
local terms energy: -722.623538
where:
bonds (distance) C4'-P energy: -121.464
bonds (distance) P-C4' energy: -134.148
flat angles C4'-P-C4' energy: -155.389
flat angles P-C4'-P energy: -97.072
tors. eta vs tors. theta energy: -214.550
Dist. restrs. and SS energy: 14.072 (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: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2347.995781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.995781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.344617 (E_RNA)
where:
Base-Base interactions energy: -1656.445
where: short stacking energy: -672.103
Base-Backbone interact. energy: -2.911
local terms energy: -706.988925
where:
bonds (distance) C4'-P energy: -125.993
bonds (distance) P-C4' energy: -133.733
flat angles C4'-P-C4' energy: -140.058
flat angles P-C4'-P energy: -100.625
tors. eta vs tors. theta energy: -206.579
Dist. restrs. and SS energy: 18.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2270.542132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.542132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.013631 (E_RNA)
where:
Base-Base interactions energy: -1623.335
where: short stacking energy: -635.890
Base-Backbone interact. energy: 0.407
local terms energy: -667.086265
where:
bonds (distance) C4'-P energy: -101.481
bonds (distance) P-C4' energy: -122.476
flat angles C4'-P-C4' energy: -149.047
flat angles P-C4'-P energy: -94.808
tors. eta vs tors. theta energy: -199.274
Dist. restrs. and SS energy: 19.471 (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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2225.113383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.113383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.668812 (E_RNA)
where:
Base-Base interactions energy: -1595.376
where: short stacking energy: -642.560
Base-Backbone interact. energy: -3.319
local terms energy: -634.973900
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -104.161
flat angles C4'-P-C4' energy: -141.654
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -198.333
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: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -2103.928704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.928704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.912204 (E_RNA)
where:
Base-Base interactions energy: -1510.622
where: short stacking energy: -605.086
Base-Backbone interact. energy: -1.109
local terms energy: -614.181451
where:
bonds (distance) C4'-P energy: -123.201
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -130.320
flat angles P-C4'-P energy: -65.332
tors. eta vs tors. theta energy: -188.979
Dist. restrs. and SS energy: 21.984 (S_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: 135
Temperature: 1.350000
Total energy: -1908.072245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.072245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.470710 (E_RNA)
where:
Base-Base interactions energy: -1347.490
where: short stacking energy: -544.792
Base-Backbone interact. energy: -5.245
local terms energy: -588.735094
where:
bonds (distance) C4'-P energy: -109.602
bonds (distance) P-C4' energy: -105.156
flat angles C4'-P-C4' energy: -131.766
flat angles P-C4'-P energy: -73.953
tors. eta vs tors. theta energy: -168.257
Dist. restrs. and SS energy: 33.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2752.669904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.669904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.684681 (E_RNA)
where:
Base-Base interactions energy: -1955.995
where: short stacking energy: -789.183
Base-Backbone interact. energy: -3.080
local terms energy: -802.609862
where:
bonds (distance) C4'-P energy: -147.198
bonds (distance) P-C4' energy: -145.668
flat angles C4'-P-C4' energy: -156.916
flat angles P-C4'-P energy: -110.992
tors. eta vs tors. theta energy: -241.837
Dist. restrs. and SS energy: 9.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2669.345092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.345092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.026939 (E_RNA)
where:
Base-Base interactions energy: -1877.325
where: short stacking energy: -768.803
Base-Backbone interact. energy: -0.855
local terms energy: -793.846671
where:
bonds (distance) C4'-P energy: -133.447
bonds (distance) P-C4' energy: -137.543
flat angles C4'-P-C4' energy: -170.970
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -240.520
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2610.895396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.895396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.775792 (E_RNA)
where:
Base-Base interactions energy: -1849.281
where: short stacking energy: -793.489
Base-Backbone interact. energy: -0.542
local terms energy: -768.953420
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -123.849
flat angles C4'-P-C4' energy: -165.692
flat angles P-C4'-P energy: -113.659
tors. eta vs tors. theta energy: -239.332
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: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2551.673551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.673551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.283356 (E_RNA)
where:
Base-Base interactions energy: -1787.944
where: short stacking energy: -751.321
Base-Backbone interact. energy: -3.797
local terms energy: -762.541772
where:
bonds (distance) C4'-P energy: -138.497
bonds (distance) P-C4' energy: -136.350
flat angles C4'-P-C4' energy: -148.822
flat angles P-C4'-P energy: -109.549
tors. eta vs tors. theta energy: -229.324
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2492.262055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.262055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.351616 (E_RNA)
where:
Base-Base interactions energy: -1787.500
where: short stacking energy: -720.286
Base-Backbone interact. energy: -2.145
local terms energy: -712.707008
where:
bonds (distance) C4'-P energy: -122.688
bonds (distance) P-C4' energy: -130.059
flat angles C4'-P-C4' energy: -140.401
flat angles P-C4'-P energy: -100.389
tors. eta vs tors. theta energy: -219.171
Dist. restrs. and SS energy: 10.090 (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: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2349.161056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.161056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.012406 (E_RNA)
where:
Base-Base interactions energy: -1673.860
where: short stacking energy: -684.270
Base-Backbone interact. energy: 0.847
local terms energy: -684.999667
where:
bonds (distance) C4'-P energy: -106.195
bonds (distance) P-C4' energy: -124.554
flat angles C4'-P-C4' energy: -153.455
flat angles P-C4'-P energy: -84.660
tors. eta vs tors. theta energy: -216.135
Dist. restrs. and SS energy: 8.851 (S_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: 136
Temperature: 1.200000
Total energy: -2307.400599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.400599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.100144 (E_RNA)
where:
Base-Base interactions energy: -1642.059
where: short stacking energy: -636.936
Base-Backbone interact. energy: -1.174
local terms energy: -670.866726
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -153.163
flat angles P-C4'-P energy: -89.750
tors. eta vs tors. theta energy: -192.269
Dist. restrs. and SS energy: 6.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2218.678727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.678727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.226752 (E_RNA)
where:
Base-Base interactions energy: -1591.623
where: short stacking energy: -645.120
Base-Backbone interact. energy: 0.751
local terms energy: -650.354736
where:
bonds (distance) C4'-P energy: -109.588
bonds (distance) P-C4' energy: -123.635
flat angles C4'-P-C4' energy: -127.824
flat angles P-C4'-P energy: -83.595
tors. eta vs tors. theta energy: -205.713
Dist. restrs. and SS energy: 22.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -2119.545762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.545762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.054565 (E_RNA)
where:
Base-Base interactions energy: -1519.458
where: short stacking energy: -621.415
Base-Backbone interact. energy: 1.917
local terms energy: -627.512974
where:
bonds (distance) C4'-P energy: -115.674
bonds (distance) P-C4' energy: -111.228
flat angles C4'-P-C4' energy: -139.197
flat angles P-C4'-P energy: -72.365
tors. eta vs tors. theta energy: -189.049
Dist. restrs. and SS energy: 25.509 (S_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: 136
Temperature: 1.350000
Total energy: -1894.750163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.750163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.769110 (E_RNA)
where:
Base-Base interactions energy: -1341.759
where: short stacking energy: -552.869
Base-Backbone interact. energy: -1.012
local terms energy: -580.998636
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -74.192
tors. eta vs tors. theta energy: -165.545
Dist. restrs. and SS energy: 29.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2752.658476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.658476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.435775 (E_RNA)
where:
Base-Base interactions energy: -1949.292
where: short stacking energy: -794.320
Base-Backbone interact. energy: 0.035
local terms energy: -813.179292
where:
bonds (distance) C4'-P energy: -138.234
bonds (distance) P-C4' energy: -153.688
flat angles C4'-P-C4' energy: -169.121
flat angles P-C4'-P energy: -117.042
tors. eta vs tors. theta energy: -235.095
Dist. restrs. and SS energy: 9.777 (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: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2675.470050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.470050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.233112 (E_RNA)
where:
Base-Base interactions energy: -1887.963
where: short stacking energy: -764.862
Base-Backbone interact. energy: -1.253
local terms energy: -790.017289
where:
bonds (distance) C4'-P energy: -136.770
bonds (distance) P-C4' energy: -134.057
flat angles C4'-P-C4' energy: -157.488
flat angles P-C4'-P energy: -120.709
tors. eta vs tors. theta energy: -240.994
Dist. restrs. and SS energy: 3.763 (S_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: 137
Temperature: 1.000000
Total energy: -2603.014423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.589975 (E_RNA)
where:
Base-Base interactions energy: -1832.851
where: short stacking energy: -753.180
Base-Backbone interact. energy: -0.111
local terms energy: -773.628163
where:
bonds (distance) C4'-P energy: -134.379
bonds (distance) P-C4' energy: -136.115
flat angles C4'-P-C4' energy: -154.367
flat angles P-C4'-P energy: -104.834
tors. eta vs tors. theta energy: -243.933
Dist. restrs. and SS energy: 3.576 (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: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2541.288960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.288960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.884774 (E_RNA)
where:
Base-Base interactions energy: -1801.555
where: short stacking energy: -741.562
Base-Backbone interact. energy: -1.112
local terms energy: -749.217539
where:
bonds (distance) C4'-P energy: -134.960
bonds (distance) P-C4' energy: -129.918
flat angles C4'-P-C4' energy: -153.680
flat angles P-C4'-P energy: -94.977
tors. eta vs tors. theta energy: -235.682
Dist. restrs. and SS energy: 10.596 (S_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: 137
Temperature: 1.100000
Total energy: -2477.841943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.314044 (E_RNA)
where:
Base-Base interactions energy: -1763.234
where: short stacking energy: -697.083
Base-Backbone interact. energy: -0.606
local terms energy: -715.473497
where:
bonds (distance) C4'-P energy: -126.538
bonds (distance) P-C4' energy: -123.866
flat angles C4'-P-C4' energy: -151.064
flat angles P-C4'-P energy: -91.727
tors. eta vs tors. theta energy: -222.278
Dist. restrs. and SS energy: 1.472 (S_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: 137
Temperature: 1.150000
Total energy: -2347.521028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.521028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.489327 (E_RNA)
where:
Base-Base interactions energy: -1686.473
where: short stacking energy: -679.098
Base-Backbone interact. energy: -0.292
local terms energy: -667.724287
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -110.762
flat angles C4'-P-C4' energy: -137.450
flat angles P-C4'-P energy: -97.662
tors. eta vs tors. theta energy: -216.736
Dist. restrs. and SS energy: 6.968 (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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2259.443935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.443935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.750900 (E_RNA)
where:
Base-Base interactions energy: -1595.976
where: short stacking energy: -635.437
Base-Backbone interact. energy: 1.497
local terms energy: -683.271781
where:
bonds (distance) C4'-P energy: -118.519
bonds (distance) P-C4' energy: -104.847
flat angles C4'-P-C4' energy: -153.684
flat angles P-C4'-P energy: -108.546
tors. eta vs tors. theta energy: -197.675
Dist. restrs. and SS energy: 18.307 (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: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2202.341305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.341305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.196584 (E_RNA)
where:
Base-Base interactions energy: -1605.481
where: short stacking energy: -651.783
Base-Backbone interact. energy: -0.510
local terms energy: -607.205978
where:
bonds (distance) C4'-P energy: -90.526
bonds (distance) P-C4' energy: -104.601
flat angles C4'-P-C4' energy: -132.151
flat angles P-C4'-P energy: -86.115
tors. eta vs tors. theta energy: -193.813
Dist. restrs. and SS energy: 10.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -2138.134435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.134435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.725281 (E_RNA)
where:
Base-Base interactions energy: -1555.245
where: short stacking energy: -628.686
Base-Backbone interact. energy: -2.207
local terms energy: -597.273620
where:
bonds (distance) C4'-P energy: -105.464
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -106.008
flat angles P-C4'-P energy: -85.536
tors. eta vs tors. theta energy: -202.499
Dist. restrs. and SS energy: 16.591 (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: 137
Temperature: 1.350000
Total energy: -1895.674232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.674232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.790852 (E_RNA)
where:
Base-Base interactions energy: -1351.772
where: short stacking energy: -557.426
Base-Backbone interact. energy: 6.903
local terms energy: -579.921237
where:
bonds (distance) C4'-P energy: -126.090
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -131.054
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -154.150
Dist. restrs. and SS energy: 29.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2710.026162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.026162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.175755 (E_RNA)
where:
Base-Base interactions energy: -1931.803
where: short stacking energy: -768.125
Base-Backbone interact. energy: -1.107
local terms energy: -785.265092
where:
bonds (distance) C4'-P energy: -132.370
bonds (distance) P-C4' energy: -121.191
flat angles C4'-P-C4' energy: -173.827
flat angles P-C4'-P energy: -118.963
tors. eta vs tors. theta energy: -238.913
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: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2654.917714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.917714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.247046 (E_RNA)
where:
Base-Base interactions energy: -1876.102
where: short stacking energy: -768.319
Base-Backbone interact. energy: 0.463
local terms energy: -783.608692
where:
bonds (distance) C4'-P energy: -127.047
bonds (distance) P-C4' energy: -144.162
flat angles C4'-P-C4' energy: -167.184
flat angles P-C4'-P energy: -115.639
tors. eta vs tors. theta energy: -229.577
Dist. restrs. and SS energy: 4.329 (S_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: 138
Temperature: 1.000000
Total energy: -2635.136453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.136453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.187731 (E_RNA)
where:
Base-Base interactions energy: -1849.646
where: short stacking energy: -764.104
Base-Backbone interact. energy: 4.888
local terms energy: -794.429849
where:
bonds (distance) C4'-P energy: -134.855
bonds (distance) P-C4' energy: -137.248
flat angles C4'-P-C4' energy: -156.250
flat angles P-C4'-P energy: -118.952
tors. eta vs tors. theta energy: -247.125
Dist. restrs. and SS energy: 4.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2521.102876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.460904 (E_RNA)
where:
Base-Base interactions energy: -1793.802
where: short stacking energy: -746.387
Base-Backbone interact. energy: 3.170
local terms energy: -739.828764
where:
bonds (distance) C4'-P energy: -120.820
bonds (distance) P-C4' energy: -122.654
flat angles C4'-P-C4' energy: -148.373
flat angles P-C4'-P energy: -115.539
tors. eta vs tors. theta energy: -232.443
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2494.897117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.897117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.722471 (E_RNA)
where:
Base-Base interactions energy: -1785.617
where: short stacking energy: -734.451
Base-Backbone interact. energy: -2.186
local terms energy: -710.919458
where:
bonds (distance) C4'-P energy: -125.573
bonds (distance) P-C4' energy: -124.686
flat angles C4'-P-C4' energy: -151.995
flat angles P-C4'-P energy: -92.286
tors. eta vs tors. theta energy: -216.379
Dist. restrs. and SS energy: 3.825 (S_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: 138
Temperature: 1.150000
Total energy: -2340.598218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.598218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.582311 (E_RNA)
where:
Base-Base interactions energy: -1641.360
where: short stacking energy: -672.058
Base-Backbone interact. energy: -1.605
local terms energy: -705.617582
where:
bonds (distance) C4'-P energy: -121.924
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -149.626
flat angles P-C4'-P energy: -104.187
tors. eta vs tors. theta energy: -217.145
Dist. restrs. and SS energy: 7.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2247.891929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.891929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.093432 (E_RNA)
where:
Base-Base interactions energy: -1596.834
where: short stacking energy: -669.055
Base-Backbone interact. energy: 0.723
local terms energy: -667.982562
where:
bonds (distance) C4'-P energy: -114.233
bonds (distance) P-C4' energy: -93.996
flat angles C4'-P-C4' energy: -147.211
flat angles P-C4'-P energy: -105.857
tors. eta vs tors. theta energy: -206.686
Dist. restrs. and SS energy: 16.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2221.791237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.791237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.596510 (E_RNA)
where:
Base-Base interactions energy: -1560.658
where: short stacking energy: -639.295
Base-Backbone interact. energy: 1.278
local terms energy: -677.215732
where:
bonds (distance) C4'-P energy: -114.928
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -133.243
flat angles P-C4'-P energy: -94.102
tors. eta vs tors. theta energy: -202.579
Dist. restrs. and SS energy: 14.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -2132.796723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.796723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.386250 (E_RNA)
where:
Base-Base interactions energy: -1545.503
where: short stacking energy: -629.054
Base-Backbone interact. energy: 0.642
local terms energy: -602.525506
where:
bonds (distance) C4'-P energy: -100.898
bonds (distance) P-C4' energy: -91.771
flat angles C4'-P-C4' energy: -125.085
flat angles P-C4'-P energy: -90.768
tors. eta vs tors. theta energy: -194.004
Dist. restrs. and SS energy: 14.590 (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: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1886.860249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.860249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.342803 (E_RNA)
where:
Base-Base interactions energy: -1339.450
where: short stacking energy: -542.749
Base-Backbone interact. energy: -0.064
local terms energy: -570.828470
where:
bonds (distance) C4'-P energy: -96.823
bonds (distance) P-C4' energy: -115.307
flat angles C4'-P-C4' energy: -124.236
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -163.072
Dist. restrs. and SS energy: 23.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2735.970234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.970234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.288447 (E_RNA)
where:
Base-Base interactions energy: -1926.842
where: short stacking energy: -772.923
Base-Backbone interact. energy: 0.149
local terms energy: -817.595381
where:
bonds (distance) C4'-P energy: -128.115
bonds (distance) P-C4' energy: -153.237
flat angles C4'-P-C4' energy: -174.222
flat angles P-C4'-P energy: -124.315
tors. eta vs tors. theta energy: -237.706
Dist. restrs. and SS energy: 8.318 (S_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: 139
Temperature: 0.950000
Total energy: -2697.170890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.170890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.856928 (E_RNA)
where:
Base-Base interactions energy: -1904.805
where: short stacking energy: -779.211
Base-Backbone interact. energy: -0.494
local terms energy: -796.558185
where:
bonds (distance) C4'-P energy: -151.289
bonds (distance) P-C4' energy: -139.087
flat angles C4'-P-C4' energy: -159.897
flat angles P-C4'-P energy: -106.889
tors. eta vs tors. theta energy: -239.395
Dist. restrs. and SS energy: 4.686 (S_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: 139
Temperature: 1.000000
Total energy: -2620.163753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.163753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.525340 (E_RNA)
where:
Base-Base interactions energy: -1870.911
where: short stacking energy: -788.168
Base-Backbone interact. energy: 4.791
local terms energy: -758.404939
where:
bonds (distance) C4'-P energy: -137.145
bonds (distance) P-C4' energy: -108.608
flat angles C4'-P-C4' energy: -156.673
flat angles P-C4'-P energy: -105.641
tors. eta vs tors. theta energy: -250.338
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: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2528.650179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.650179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.935131 (E_RNA)
where:
Base-Base interactions energy: -1794.364
where: short stacking energy: -732.136
Base-Backbone interact. energy: -2.053
local terms energy: -738.518414
where:
bonds (distance) C4'-P energy: -125.105
bonds (distance) P-C4' energy: -140.743
flat angles C4'-P-C4' energy: -142.609
flat angles P-C4'-P energy: -110.619
tors. eta vs tors. theta energy: -219.442
Dist. restrs. and SS energy: 6.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2470.510888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.510888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.187846 (E_RNA)
where:
Base-Base interactions energy: -1791.517
where: short stacking energy: -730.088
Base-Backbone interact. energy: 1.535
local terms energy: -693.205728
where:
bonds (distance) C4'-P energy: -117.772
bonds (distance) P-C4' energy: -116.596
flat angles C4'-P-C4' energy: -142.358
flat angles P-C4'-P energy: -93.942
tors. eta vs tors. theta energy: -222.538
Dist. restrs. and SS energy: 12.677 (S_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: 139
Temperature: 1.150000
Total energy: -2341.644720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.644720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.909244 (E_RNA)
where:
Base-Base interactions energy: -1693.190
where: short stacking energy: -673.402
Base-Backbone interact. energy: -1.134
local terms energy: -653.585106
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -109.006
flat angles C4'-P-C4' energy: -137.031
flat angles P-C4'-P energy: -95.856
tors. eta vs tors. theta energy: -207.108
Dist. restrs. and SS energy: 6.265 (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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2271.285774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.285774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.615804 (E_RNA)
where:
Base-Base interactions energy: -1621.583
where: short stacking energy: -669.362
Base-Backbone interact. energy: -1.394
local terms energy: -664.638252
where:
bonds (distance) C4'-P energy: -112.959
bonds (distance) P-C4' energy: -118.805
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -91.476
tors. eta vs tors. theta energy: -203.968
Dist. restrs. and SS energy: 16.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2186.933607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.933607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.728451 (E_RNA)
where:
Base-Base interactions energy: -1566.800
where: short stacking energy: -622.519
Base-Backbone interact. energy: -0.323
local terms energy: -635.605899
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -104.493
flat angles C4'-P-C4' energy: -134.147
flat angles P-C4'-P energy: -94.112
tors. eta vs tors. theta energy: -190.085
Dist. restrs. and SS energy: 15.795 (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: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -2130.418835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.418835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.344367 (E_RNA)
where:
Base-Base interactions energy: -1539.384
where: short stacking energy: -617.787
Base-Backbone interact. energy: 2.480
local terms energy: -612.440518
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -120.601
flat angles P-C4'-P energy: -79.951
tors. eta vs tors. theta energy: -194.765
Dist. restrs. and SS energy: 18.926 (S_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: 139
Temperature: 1.350000
Total energy: -1924.188669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.188669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.771946 (E_RNA)
where:
Base-Base interactions energy: -1350.807
where: short stacking energy: -553.106
Base-Backbone interact. energy: -1.511
local terms energy: -602.454210
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -129.073
flat angles C4'-P-C4' energy: -141.739
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -158.907
Dist. restrs. and SS energy: 30.583 (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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2734.061571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.061571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.002222 (E_RNA)
where:
Base-Base interactions energy: -1946.087
where: short stacking energy: -775.577
Base-Backbone interact. energy: -0.802
local terms energy: -797.113107
where:
bonds (distance) C4'-P energy: -149.653
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -160.404
flat angles P-C4'-P energy: -109.832
tors. eta vs tors. theta energy: -241.492
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2686.078939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.078939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.710808 (E_RNA)
where:
Base-Base interactions energy: -1881.476
where: short stacking energy: -768.918
Base-Backbone interact. energy: -2.802
local terms energy: -808.432750
where:
bonds (distance) C4'-P energy: -152.903
bonds (distance) P-C4' energy: -143.106
flat angles C4'-P-C4' energy: -164.711
flat angles P-C4'-P energy: -106.902
tors. eta vs tors. theta energy: -240.811
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2618.905441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.724668 (E_RNA)
where:
Base-Base interactions energy: -1857.717
where: short stacking energy: -766.198
Base-Backbone interact. energy: -1.455
local terms energy: -765.553144
where:
bonds (distance) C4'-P energy: -126.212
bonds (distance) P-C4' energy: -133.167
flat angles C4'-P-C4' energy: -159.265
flat angles P-C4'-P energy: -107.031
tors. eta vs tors. theta energy: -239.878
Dist. restrs. and SS energy: 5.819 (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: 140
Temperature: 1.050000
Total energy: -2525.824419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.824419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.036213 (E_RNA)
where:
Base-Base interactions energy: -1790.581
where: short stacking energy: -740.626
Base-Backbone interact. energy: 0.210
local terms energy: -742.665922
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -125.435
flat angles C4'-P-C4' energy: -157.530
flat angles P-C4'-P energy: -114.382
tors. eta vs tors. theta energy: -214.035
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2476.020814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.530202 (E_RNA)
where:
Base-Base interactions energy: -1770.721
where: short stacking energy: -729.255
Base-Backbone interact. energy: -0.316
local terms energy: -719.492836
where:
bonds (distance) C4'-P energy: -126.345
bonds (distance) P-C4' energy: -122.534
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -101.483
tors. eta vs tors. theta energy: -221.672
Dist. restrs. and SS energy: 14.509 (S_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: 140
Temperature: 1.150000
Total energy: -2355.410177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.410177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.631241 (E_RNA)
where:
Base-Base interactions energy: -1683.327
where: short stacking energy: -679.435
Base-Backbone interact. energy: -2.285
local terms energy: -676.019331
where:
bonds (distance) C4'-P energy: -110.102
bonds (distance) P-C4' energy: -108.649
flat angles C4'-P-C4' energy: -145.785
flat angles P-C4'-P energy: -106.167
tors. eta vs tors. theta energy: -205.316
Dist. restrs. and SS energy: 6.221 (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: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2278.952913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.952913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.469479 (E_RNA)
where:
Base-Base interactions energy: -1605.016
where: short stacking energy: -650.009
Base-Backbone interact. energy: -4.141
local terms energy: -685.312467
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -156.030
flat angles P-C4'-P energy: -87.345
tors. eta vs tors. theta energy: -203.209
Dist. restrs. and SS energy: 15.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2225.560395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.560395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.358390 (E_RNA)
where:
Base-Base interactions energy: -1597.504
where: short stacking energy: -636.788
Base-Backbone interact. energy: -0.183
local terms energy: -639.671607
where:
bonds (distance) C4'-P energy: -106.163
bonds (distance) P-C4' energy: -120.173
flat angles C4'-P-C4' energy: -129.175
flat angles P-C4'-P energy: -90.322
tors. eta vs tors. theta energy: -193.838
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -2114.486720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.486720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.772693 (E_RNA)
where:
Base-Base interactions energy: -1511.258
where: short stacking energy: -618.804
Base-Backbone interact. energy: -2.157
local terms energy: -613.358337
where:
bonds (distance) C4'-P energy: -111.652
bonds (distance) P-C4' energy: -97.599
flat angles C4'-P-C4' energy: -127.791
flat angles P-C4'-P energy: -84.865
tors. eta vs tors. theta energy: -191.451
Dist. restrs. and SS energy: 12.286 (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: 140
Temperature: 1.350000
Total energy: -1913.810971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.810971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.213767 (E_RNA)
where:
Base-Base interactions energy: -1357.114
where: short stacking energy: -543.630
Base-Backbone interact. energy: -1.055
local terms energy: -573.044809
where:
bonds (distance) C4'-P energy: -105.909
bonds (distance) P-C4' energy: -101.436
flat angles C4'-P-C4' energy: -121.291
flat angles P-C4'-P energy: -82.131
tors. eta vs tors. theta energy: -162.278
Dist. restrs. and SS energy: 17.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2747.799319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.799319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.280030 (E_RNA)
where:
Base-Base interactions energy: -1936.505
where: short stacking energy: -787.344
Base-Backbone interact. energy: -2.927
local terms energy: -816.847871
where:
bonds (distance) C4'-P energy: -139.115
bonds (distance) P-C4' energy: -147.723
flat angles C4'-P-C4' energy: -171.326
flat angles P-C4'-P energy: -111.106
tors. eta vs tors. theta energy: -247.578
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: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2682.328143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.328143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.433500 (E_RNA)
where:
Base-Base interactions energy: -1899.083
where: short stacking energy: -779.467
Base-Backbone interact. energy: -0.198
local terms energy: -789.152318
where:
bonds (distance) C4'-P energy: -123.152
bonds (distance) P-C4' energy: -151.084
flat angles C4'-P-C4' energy: -155.874
flat angles P-C4'-P energy: -116.602
tors. eta vs tors. theta energy: -242.440
Dist. restrs. and SS energy: 6.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2606.280473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.280473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.661997 (E_RNA)
where:
Base-Base interactions energy: -1834.548
where: short stacking energy: -743.149
Base-Backbone interact. energy: 0.690
local terms energy: -776.803688
where:
bonds (distance) C4'-P energy: -150.551
bonds (distance) P-C4' energy: -131.410
flat angles C4'-P-C4' energy: -153.354
flat angles P-C4'-P energy: -115.113
tors. eta vs tors. theta energy: -226.376
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: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2560.414082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.414082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.911512 (E_RNA)
where:
Base-Base interactions energy: -1808.328
where: short stacking energy: -728.242
Base-Backbone interact. energy: 1.374
local terms energy: -761.957616
where:
bonds (distance) C4'-P energy: -127.671
bonds (distance) P-C4' energy: -131.978
flat angles C4'-P-C4' energy: -152.885
flat angles P-C4'-P energy: -118.826
tors. eta vs tors. theta energy: -230.598
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. 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: -2460.683511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.683511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.509880 (E_RNA)
where:
Base-Base interactions energy: -1769.544
where: short stacking energy: -714.502
Base-Backbone interact. energy: 4.681
local terms energy: -712.646823
where:
bonds (distance) C4'-P energy: -117.412
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -150.034
flat angles P-C4'-P energy: -91.048
tors. eta vs tors. theta energy: -220.842
Dist. restrs. and SS energy: 16.826 (S_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: 141
Temperature: 1.150000
Total energy: -2401.915041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.915041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.348490 (E_RNA)
where:
Base-Base interactions energy: -1735.082
where: short stacking energy: -684.977
Base-Backbone interact. energy: 3.134
local terms energy: -680.400387
where:
bonds (distance) C4'-P energy: -111.669
bonds (distance) P-C4' energy: -118.970
flat angles C4'-P-C4' energy: -138.855
flat angles P-C4'-P energy: -111.622
tors. eta vs tors. theta energy: -199.285
Dist. restrs. and SS energy: 10.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2288.209911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.209911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.000180 (E_RNA)
where:
Base-Base interactions energy: -1652.931
where: short stacking energy: -663.735
Base-Backbone interact. energy: -3.666
local terms energy: -653.403656
where:
bonds (distance) C4'-P energy: -119.615
bonds (distance) P-C4' energy: -98.459
flat angles C4'-P-C4' energy: -130.779
flat angles P-C4'-P energy: -90.538
tors. eta vs tors. theta energy: -214.013
Dist. restrs. and SS energy: 21.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2198.849277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.849277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.092151 (E_RNA)
where:
Base-Base interactions energy: -1569.007
where: short stacking energy: -626.390
Base-Backbone interact. energy: 0.213
local terms energy: -641.297827
where:
bonds (distance) C4'-P energy: -103.745
bonds (distance) P-C4' energy: -132.126
flat angles C4'-P-C4' energy: -128.133
flat angles P-C4'-P energy: -87.232
tors. eta vs tors. theta energy: -190.062
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: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -2149.961326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.961326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.052619 (E_RNA)
where:
Base-Base interactions energy: -1539.974
where: short stacking energy: -605.680
Base-Backbone interact. energy: 1.005
local terms energy: -637.083686
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -108.049
flat angles C4'-P-C4' energy: -121.581
flat angles P-C4'-P energy: -97.353
tors. eta vs tors. theta energy: -191.074
Dist. restrs. and SS energy: 26.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1889.337852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.337852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.760281 (E_RNA)
where:
Base-Base interactions energy: -1362.838
where: short stacking energy: -546.785
Base-Backbone interact. energy: 1.076
local terms energy: -550.997948
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -114.081
flat angles P-C4'-P energy: -89.149
tors. eta vs tors. theta energy: -155.749
Dist. restrs. and SS energy: 23.422 (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: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2745.244985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.244985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.007822 (E_RNA)
where:
Base-Base interactions energy: -1945.654
where: short stacking energy: -778.766
Base-Backbone interact. energy: -1.998
local terms energy: -807.355270
where:
bonds (distance) C4'-P energy: -132.680
bonds (distance) P-C4' energy: -153.243
flat angles C4'-P-C4' energy: -168.488
flat angles P-C4'-P energy: -114.757
tors. eta vs tors. theta energy: -238.186
Dist. restrs. and SS energy: 9.763 (S_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: 142
Temperature: 0.950000
Total energy: -2677.431027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.431027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.532438 (E_RNA)
where:
Base-Base interactions energy: -1895.694
where: short stacking energy: -774.842
Base-Backbone interact. energy: -1.392
local terms energy: -791.446795
where:
bonds (distance) C4'-P energy: -126.510
bonds (distance) P-C4' energy: -131.252
flat angles C4'-P-C4' energy: -172.136
flat angles P-C4'-P energy: -122.073
tors. eta vs tors. theta energy: -239.477
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2652.763072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.763072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.781611 (E_RNA)
where:
Base-Base interactions energy: -1852.131
where: short stacking energy: -737.313
Base-Backbone interact. energy: -0.937
local terms energy: -804.713937
where:
bonds (distance) C4'-P energy: -130.593
bonds (distance) P-C4' energy: -149.962
flat angles C4'-P-C4' energy: -155.871
flat angles P-C4'-P energy: -125.169
tors. eta vs tors. theta energy: -243.119
Dist. restrs. and SS energy: 5.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2539.183527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.183527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.313230 (E_RNA)
where:
Base-Base interactions energy: -1795.398
where: short stacking energy: -734.085
Base-Backbone interact. energy: -0.497
local terms energy: -751.417472
where:
bonds (distance) C4'-P energy: -145.339
bonds (distance) P-C4' energy: -119.257
flat angles C4'-P-C4' energy: -158.718
flat angles P-C4'-P energy: -102.127
tors. eta vs tors. theta energy: -225.976
Dist. restrs. and SS energy: 8.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2468.906220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.906220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.571626 (E_RNA)
where:
Base-Base interactions energy: -1761.455
where: short stacking energy: -728.172
Base-Backbone interact. energy: -1.928
local terms energy: -721.187833
where:
bonds (distance) C4'-P energy: -128.748
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -152.141
flat angles P-C4'-P energy: -98.070
tors. eta vs tors. theta energy: -227.860
Dist. restrs. and SS energy: 15.665 (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: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2339.828415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.828415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.856987 (E_RNA)
where:
Base-Base interactions energy: -1640.777
where: short stacking energy: -656.198
Base-Backbone interact. energy: -3.234
local terms energy: -702.845969
where:
bonds (distance) C4'-P energy: -135.675
bonds (distance) P-C4' energy: -135.620
flat angles C4'-P-C4' energy: -130.415
flat angles P-C4'-P energy: -93.809
tors. eta vs tors. theta energy: -207.327
Dist. restrs. and SS energy: 7.029 (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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2325.789377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.789377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.911153 (E_RNA)
where:
Base-Base interactions energy: -1649.174
where: short stacking energy: -656.568
Base-Backbone interact. energy: -2.149
local terms energy: -688.588393
where:
bonds (distance) C4'-P energy: -111.236
bonds (distance) P-C4' energy: -134.190
flat angles C4'-P-C4' energy: -145.574
flat angles P-C4'-P energy: -93.385
tors. eta vs tors. theta energy: -204.204
Dist. restrs. and SS energy: 14.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2206.631281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.631281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.683438 (E_RNA)
where:
Base-Base interactions energy: -1573.641
where: short stacking energy: -651.605
Base-Backbone interact. energy: -0.887
local terms energy: -643.154690
where:
bonds (distance) C4'-P energy: -88.504
bonds (distance) P-C4' energy: -115.476
flat angles C4'-P-C4' energy: -137.502
flat angles P-C4'-P energy: -93.672
tors. eta vs tors. theta energy: -208.001
Dist. restrs. and SS energy: 11.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -2071.764364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.764364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.947213 (E_RNA)
where:
Base-Base interactions energy: -1456.746
where: short stacking energy: -583.282
Base-Backbone interact. energy: -1.784
local terms energy: -644.417582
where:
bonds (distance) C4'-P energy: -106.446
bonds (distance) P-C4' energy: -126.382
flat angles C4'-P-C4' energy: -138.070
flat angles P-C4'-P energy: -95.976
tors. eta vs tors. theta energy: -177.544
Dist. restrs. and SS energy: 31.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1888.841943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.233798 (E_RNA)
where:
Base-Base interactions energy: -1342.940
where: short stacking energy: -525.507
Base-Backbone interact. energy: 0.186
local terms energy: -563.479239
where:
bonds (distance) C4'-P energy: -106.696
bonds (distance) P-C4' energy: -97.243
flat angles C4'-P-C4' energy: -120.764
flat angles P-C4'-P energy: -79.021
tors. eta vs tors. theta energy: -159.756
Dist. restrs. and SS energy: 17.392 (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: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2742.926817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.926817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.765515 (E_RNA)
where:
Base-Base interactions energy: -1931.412
where: short stacking energy: -799.666
Base-Backbone interact. energy: -2.825
local terms energy: -819.528379
where:
bonds (distance) C4'-P energy: -148.464
bonds (distance) P-C4' energy: -141.492
flat angles C4'-P-C4' energy: -161.536
flat angles P-C4'-P energy: -123.126
tors. eta vs tors. theta energy: -244.910
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2673.097883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.097883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.394303 (E_RNA)
where:
Base-Base interactions energy: -1895.881
where: short stacking energy: -779.646
Base-Backbone interact. energy: 0.985
local terms energy: -781.498404
where:
bonds (distance) C4'-P energy: -122.991
bonds (distance) P-C4' energy: -144.053
flat angles C4'-P-C4' energy: -156.519
flat angles P-C4'-P energy: -117.138
tors. eta vs tors. theta energy: -240.797
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: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2633.687691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.687691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.503011 (E_RNA)
where:
Base-Base interactions energy: -1859.695
where: short stacking energy: -776.951
Base-Backbone interact. energy: -2.639
local terms energy: -780.168933
where:
bonds (distance) C4'-P energy: -136.695
bonds (distance) P-C4' energy: -142.683
flat angles C4'-P-C4' energy: -162.969
flat angles P-C4'-P energy: -98.478
tors. eta vs tors. theta energy: -239.344
Dist. restrs. and SS energy: 8.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2522.393603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.393603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.145371 (E_RNA)
where:
Base-Base interactions energy: -1769.597
where: short stacking energy: -719.072
Base-Backbone interact. energy: 0.044
local terms energy: -763.592658
where:
bonds (distance) C4'-P energy: -130.547
bonds (distance) P-C4' energy: -137.009
flat angles C4'-P-C4' energy: -164.901
flat angles P-C4'-P energy: -108.821
tors. eta vs tors. theta energy: -222.315
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: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2460.963698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.963698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.838705 (E_RNA)
where:
Base-Base interactions energy: -1747.468
where: short stacking energy: -708.438
Base-Backbone interact. energy: -0.352
local terms energy: -726.018946
where:
bonds (distance) C4'-P energy: -132.043
bonds (distance) P-C4' energy: -117.247
flat angles C4'-P-C4' energy: -151.252
flat angles P-C4'-P energy: -100.359
tors. eta vs tors. theta energy: -225.118
Dist. restrs. and SS energy: 12.875 (S_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: 143
Temperature: 1.150000
Total energy: -2357.583103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.583103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.449256 (E_RNA)
where:
Base-Base interactions energy: -1679.966
where: short stacking energy: -681.331
Base-Backbone interact. energy: -0.607
local terms energy: -686.876236
where:
bonds (distance) C4'-P energy: -104.986
bonds (distance) P-C4' energy: -123.504
flat angles C4'-P-C4' energy: -154.203
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -209.257
Dist. restrs. and SS energy: 9.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2279.918186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.918186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.083484 (E_RNA)
where:
Base-Base interactions energy: -1626.226
where: short stacking energy: -641.517
Base-Backbone interact. energy: -5.563
local terms energy: -665.294685
where:
bonds (distance) C4'-P energy: -108.941
bonds (distance) P-C4' energy: -122.478
flat angles C4'-P-C4' energy: -133.330
flat angles P-C4'-P energy: -97.690
tors. eta vs tors. theta energy: -202.855
Dist. restrs. and SS energy: 17.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2216.437419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.437419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.673161 (E_RNA)
where:
Base-Base interactions energy: -1582.696
where: short stacking energy: -640.831
Base-Backbone interact. energy: -0.310
local terms energy: -651.666982
where:
bonds (distance) C4'-P energy: -120.507
bonds (distance) P-C4' energy: -112.562
flat angles C4'-P-C4' energy: -139.939
flat angles P-C4'-P energy: -87.621
tors. eta vs tors. theta energy: -191.038
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: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -2085.256787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.256787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.013884 (E_RNA)
where:
Base-Base interactions energy: -1510.377
where: short stacking energy: -605.955
Base-Backbone interact. energy: 3.183
local terms energy: -593.820538
where:
bonds (distance) C4'-P energy: -86.147
bonds (distance) P-C4' energy: -113.866
flat angles C4'-P-C4' energy: -132.019
flat angles P-C4'-P energy: -93.454
tors. eta vs tors. theta energy: -168.335
Dist. restrs. and SS energy: 15.757 (S_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: 143
Temperature: 1.350000
Total energy: -1899.608795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.608795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.174002 (E_RNA)
where:
Base-Base interactions energy: -1354.735
where: short stacking energy: -549.059
Base-Backbone interact. energy: 1.780
local terms energy: -570.219033
where:
bonds (distance) C4'-P energy: -93.024
bonds (distance) P-C4' energy: -106.299
flat angles C4'-P-C4' energy: -138.296
flat angles P-C4'-P energy: -77.701
tors. eta vs tors. theta energy: -154.899
Dist. restrs. and SS energy: 23.565 (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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2766.143608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.143608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.551604 (E_RNA)
where:
Base-Base interactions energy: -1966.679
where: short stacking energy: -789.313
Base-Backbone interact. energy: -0.634
local terms energy: -810.238047
where:
bonds (distance) C4'-P energy: -136.103
bonds (distance) P-C4' energy: -144.121
flat angles C4'-P-C4' energy: -170.137
flat angles P-C4'-P energy: -110.115
tors. eta vs tors. theta energy: -249.763
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2660.353885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.353885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.149401 (E_RNA)
where:
Base-Base interactions energy: -1868.378
where: short stacking energy: -767.810
Base-Backbone interact. energy: 4.528
local terms energy: -800.299273
where:
bonds (distance) C4'-P energy: -133.142
bonds (distance) P-C4' energy: -147.322
flat angles C4'-P-C4' energy: -164.112
flat angles P-C4'-P energy: -115.814
tors. eta vs tors. theta energy: -239.910
Dist. restrs. and SS energy: 3.796 (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: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2633.186829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.186829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.704326 (E_RNA)
where:
Base-Base interactions energy: -1852.685
where: short stacking energy: -752.913
Base-Backbone interact. energy: 0.609
local terms energy: -789.627549
where:
bonds (distance) C4'-P energy: -131.956
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -159.036
flat angles P-C4'-P energy: -116.393
tors. eta vs tors. theta energy: -235.549
Dist. restrs. and SS energy: 8.517 (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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2513.338910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.338910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.059300 (E_RNA)
where:
Base-Base interactions energy: -1793.874
where: short stacking energy: -741.888
Base-Backbone interact. energy: -4.585
local terms energy: -722.600996
where:
bonds (distance) C4'-P energy: -125.403
bonds (distance) P-C4' energy: -117.866
flat angles C4'-P-C4' energy: -148.741
flat angles P-C4'-P energy: -97.779
tors. eta vs tors. theta energy: -232.812
Dist. restrs. and SS energy: 7.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2518.601367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.601367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.587265 (E_RNA)
where:
Base-Base interactions energy: -1777.278
where: short stacking energy: -732.039
Base-Backbone interact. energy: -1.344
local terms energy: -755.965240
where:
bonds (distance) C4'-P energy: -133.621
bonds (distance) P-C4' energy: -119.593
flat angles C4'-P-C4' energy: -144.130
flat angles P-C4'-P energy: -117.667
tors. eta vs tors. theta energy: -240.954
Dist. restrs. and SS energy: 15.986 (S_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: 144
Temperature: 1.150000
Total energy: -2367.175693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.175693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.613214 (E_RNA)
where:
Base-Base interactions energy: -1669.283
where: short stacking energy: -674.082
Base-Backbone interact. energy: -2.241
local terms energy: -704.088909
where:
bonds (distance) C4'-P energy: -126.265
bonds (distance) P-C4' energy: -117.657
flat angles C4'-P-C4' energy: -148.590
flat angles P-C4'-P energy: -106.586
tors. eta vs tors. theta energy: -204.991
Dist. restrs. and SS energy: 8.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2297.872408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.872408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.499952 (E_RNA)
where:
Base-Base interactions energy: -1613.442
where: short stacking energy: -653.780
Base-Backbone interact. energy: 0.745
local terms energy: -703.802906
where:
bonds (distance) C4'-P energy: -113.819
bonds (distance) P-C4' energy: -123.278
flat angles C4'-P-C4' energy: -155.434
flat angles P-C4'-P energy: -93.759
tors. eta vs tors. theta energy: -217.514
Dist. restrs. and SS energy: 18.628 (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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2216.392219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.392219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.719605 (E_RNA)
where:
Base-Base interactions energy: -1562.810
where: short stacking energy: -621.558
Base-Backbone interact. energy: -2.822
local terms energy: -664.086765
where:
bonds (distance) C4'-P energy: -111.630
bonds (distance) P-C4' energy: -124.092
flat angles C4'-P-C4' energy: -136.447
flat angles P-C4'-P energy: -92.843
tors. eta vs tors. theta energy: -199.075
Dist. restrs. and SS energy: 13.327 (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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2120.456516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.456516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.098120 (E_RNA)
where:
Base-Base interactions energy: -1540.158
where: short stacking energy: -634.605
Base-Backbone interact. energy: 0.945
local terms energy: -600.885539
where:
bonds (distance) C4'-P energy: -104.978
bonds (distance) P-C4' energy: -102.235
flat angles C4'-P-C4' energy: -130.251
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -183.182
Dist. restrs. and SS energy: 19.642 (S_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: 144
Temperature: 1.350000
Total energy: -1926.497795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.497795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.580401 (E_RNA)
where:
Base-Base interactions energy: -1377.482
where: short stacking energy: -560.459
Base-Backbone interact. energy: 0.164
local terms energy: -589.262256
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -98.489
flat angles C4'-P-C4' energy: -144.591
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -180.296
Dist. restrs. and SS energy: 40.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2761.479776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.479776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.452840 (E_RNA)
where:
Base-Base interactions energy: -1959.111
where: short stacking energy: -797.635
Base-Backbone interact. energy: -1.993
local terms energy: -808.349515
where:
bonds (distance) C4'-P energy: -144.272
bonds (distance) P-C4' energy: -142.617
flat angles C4'-P-C4' energy: -161.059
flat angles P-C4'-P energy: -117.405
tors. eta vs tors. theta energy: -242.997
Dist. restrs. and SS energy: 7.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2665.919086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.919086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.558041 (E_RNA)
where:
Base-Base interactions energy: -1887.621
where: short stacking energy: -783.142
Base-Backbone interact. energy: -1.308
local terms energy: -785.628696
where:
bonds (distance) C4'-P energy: -132.368
bonds (distance) P-C4' energy: -131.466
flat angles C4'-P-C4' energy: -167.042
flat angles P-C4'-P energy: -118.078
tors. eta vs tors. theta energy: -236.676
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2614.805049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.805049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.031772 (E_RNA)
where:
Base-Base interactions energy: -1840.620
where: short stacking energy: -776.731
Base-Backbone interact. energy: 1.325
local terms energy: -778.736731
where:
bonds (distance) C4'-P energy: -130.043
bonds (distance) P-C4' energy: -142.280
flat angles C4'-P-C4' energy: -163.595
flat angles P-C4'-P energy: -102.845
tors. eta vs tors. theta energy: -239.973
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2561.229362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.229362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.752164 (E_RNA)
where:
Base-Base interactions energy: -1811.068
where: short stacking energy: -767.036
Base-Backbone interact. energy: -1.683
local terms energy: -763.000994
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -127.592
flat angles C4'-P-C4' energy: -155.790
flat angles P-C4'-P energy: -101.672
tors. eta vs tors. theta energy: -251.911
Dist. restrs. and SS energy: 14.523 (S_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: 145
Temperature: 1.100000
Total energy: -2431.769884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.488291 (E_RNA)
where:
Base-Base interactions energy: -1747.480
where: short stacking energy: -710.228
Base-Backbone interact. energy: -4.208
local terms energy: -686.800201
where:
bonds (distance) C4'-P energy: -103.963
bonds (distance) P-C4' energy: -109.741
flat angles C4'-P-C4' energy: -140.808
flat angles P-C4'-P energy: -109.863
tors. eta vs tors. theta energy: -222.425
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: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2352.283329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.283329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.383360 (E_RNA)
where:
Base-Base interactions energy: -1689.542
where: short stacking energy: -692.255
Base-Backbone interact. energy: -2.392
local terms energy: -668.448751
where:
bonds (distance) C4'-P energy: -116.345
bonds (distance) P-C4' energy: -105.737
flat angles C4'-P-C4' energy: -134.031
flat angles P-C4'-P energy: -101.659
tors. eta vs tors. theta energy: -210.677
Dist. restrs. and SS energy: 8.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2294.077391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.272092 (E_RNA)
where:
Base-Base interactions energy: -1633.156
where: short stacking energy: -670.273
Base-Backbone interact. energy: 1.782
local terms energy: -682.897922
where:
bonds (distance) C4'-P energy: -108.963
bonds (distance) P-C4' energy: -139.135
flat angles C4'-P-C4' energy: -134.369
flat angles P-C4'-P energy: -85.426
tors. eta vs tors. theta energy: -215.006
Dist. restrs. and SS energy: 20.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2164.190240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.190240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.273804 (E_RNA)
where:
Base-Base interactions energy: -1530.143
where: short stacking energy: -629.076
Base-Backbone interact. energy: 0.396
local terms energy: -642.526095
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -109.359
flat angles C4'-P-C4' energy: -146.553
flat angles P-C4'-P energy: -88.394
tors. eta vs tors. theta energy: -188.629
Dist. restrs. and SS energy: 8.084 (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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -2067.511806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.511806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.432980 (E_RNA)
where:
Base-Base interactions energy: -1472.461
where: short stacking energy: -581.432
Base-Backbone interact. energy: 1.178
local terms energy: -614.149481
where:
bonds (distance) C4'-P energy: -107.611
bonds (distance) P-C4' energy: -111.321
flat angles C4'-P-C4' energy: -131.683
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -188.835
Dist. restrs. and SS energy: 17.921 (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: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1939.137470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.137470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.988929 (E_RNA)
where:
Base-Base interactions energy: -1356.807
where: short stacking energy: -555.372
Base-Backbone interact. energy: -1.868
local terms energy: -602.314264
where:
bonds (distance) C4'-P energy: -96.500
bonds (distance) P-C4' energy: -133.421
flat angles C4'-P-C4' energy: -138.418
flat angles P-C4'-P energy: -75.577
tors. eta vs tors. theta energy: -158.399
Dist. restrs. and SS energy: 21.851 (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: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2753.666576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.666576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.012268 (E_RNA)
where:
Base-Base interactions energy: -1958.371
where: short stacking energy: -783.024
Base-Backbone interact. energy: -2.735
local terms energy: -801.905786
where:
bonds (distance) C4'-P energy: -128.914
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -168.300
flat angles P-C4'-P energy: -117.757
tors. eta vs tors. theta energy: -246.530
Dist. restrs. and SS energy: 9.346 (S_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: 146
Temperature: 0.950000
Total energy: -2681.316289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.316289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.356712 (E_RNA)
where:
Base-Base interactions energy: -1899.927
where: short stacking energy: -771.465
Base-Backbone interact. energy: -2.163
local terms energy: -788.266576
where:
bonds (distance) C4'-P energy: -145.516
bonds (distance) P-C4' energy: -127.784
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -103.738
tors. eta vs tors. theta energy: -248.516
Dist. restrs. and SS energy: 9.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2605.970222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.970222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.617674 (E_RNA)
where:
Base-Base interactions energy: -1864.152
where: short stacking energy: -756.217
Base-Backbone interact. energy: -0.212
local terms energy: -751.253742
where:
bonds (distance) C4'-P energy: -122.726
bonds (distance) P-C4' energy: -130.704
flat angles C4'-P-C4' energy: -157.911
flat angles P-C4'-P energy: -103.700
tors. eta vs tors. theta energy: -236.212
Dist. restrs. and SS energy: 9.647 (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: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2563.282393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.282393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.515610 (E_RNA)
where:
Base-Base interactions energy: -1819.222
where: short stacking energy: -741.744
Base-Backbone interact. energy: -1.129
local terms energy: -746.164427
where:
bonds (distance) C4'-P energy: -118.671
bonds (distance) P-C4' energy: -136.094
flat angles C4'-P-C4' energy: -165.611
flat angles P-C4'-P energy: -95.483
tors. eta vs tors. theta energy: -230.304
Dist. restrs. and SS energy: 3.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2470.657917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.657917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.730075 (E_RNA)
where:
Base-Base interactions energy: -1763.731
where: short stacking energy: -683.062
Base-Backbone interact. energy: -0.413
local terms energy: -710.585855
where:
bonds (distance) C4'-P energy: -123.110
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -151.251
flat angles P-C4'-P energy: -92.296
tors. eta vs tors. theta energy: -213.145
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: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2360.203769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.203769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.885500 (E_RNA)
where:
Base-Base interactions energy: -1657.155
where: short stacking energy: -678.867
Base-Backbone interact. energy: -2.145
local terms energy: -710.585188
where:
bonds (distance) C4'-P energy: -122.813
bonds (distance) P-C4' energy: -131.910
flat angles C4'-P-C4' energy: -149.923
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -213.768
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: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2286.420238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.420238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.541078 (E_RNA)
where:
Base-Base interactions energy: -1616.577
where: short stacking energy: -658.106
Base-Backbone interact. energy: -3.880
local terms energy: -686.084039
where:
bonds (distance) C4'-P energy: -135.497
bonds (distance) P-C4' energy: -113.268
flat angles C4'-P-C4' energy: -140.686
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -206.044
Dist. restrs. and SS energy: 20.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2201.165788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.165788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.340180 (E_RNA)
where:
Base-Base interactions energy: -1576.840
where: short stacking energy: -626.224
Base-Backbone interact. energy: -2.116
local terms energy: -631.384480
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -103.091
flat angles C4'-P-C4' energy: -142.432
flat angles P-C4'-P energy: -94.835
tors. eta vs tors. theta energy: -203.785
Dist. restrs. and SS energy: 9.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -2088.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.156531 (E_RNA)
where:
Base-Base interactions energy: -1498.526
where: short stacking energy: -605.717
Base-Backbone interact. energy: 0.113
local terms energy: -611.744495
where:
bonds (distance) C4'-P energy: -106.637
bonds (distance) P-C4' energy: -124.159
flat angles C4'-P-C4' energy: -117.986
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -180.744
Dist. restrs. and SS energy: 21.485 (S_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: 146
Temperature: 1.350000
Total energy: -1953.619622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.619622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.208801 (E_RNA)
where:
Base-Base interactions energy: -1382.140
where: short stacking energy: -535.247
Base-Backbone interact. energy: -0.914
local terms energy: -591.154158
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -111.212
flat angles C4'-P-C4' energy: -132.062
flat angles P-C4'-P energy: -76.865
tors. eta vs tors. theta energy: -170.364
Dist. restrs. and SS energy: 20.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2752.841918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.841918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.714730 (E_RNA)
where:
Base-Base interactions energy: -1932.584
where: short stacking energy: -773.873
Base-Backbone interact. energy: -0.912
local terms energy: -830.218762
where:
bonds (distance) C4'-P energy: -150.723
bonds (distance) P-C4' energy: -150.682
flat angles C4'-P-C4' energy: -173.060
flat angles P-C4'-P energy: -114.647
tors. eta vs tors. theta energy: -241.107
Dist. restrs. and SS energy: 10.873 (S_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: 147
Temperature: 0.950000
Total energy: -2666.364412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.364412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.083476 (E_RNA)
where:
Base-Base interactions energy: -1868.352
where: short stacking energy: -771.622
Base-Backbone interact. energy: -2.969
local terms energy: -806.763359
where:
bonds (distance) C4'-P energy: -134.025
bonds (distance) P-C4' energy: -135.458
flat angles C4'-P-C4' energy: -168.492
flat angles P-C4'-P energy: -121.141
tors. eta vs tors. theta energy: -247.647
Dist. restrs. and SS energy: 11.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2591.497069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.075575 (E_RNA)
where:
Base-Base interactions energy: -1822.472
where: short stacking energy: -749.379
Base-Backbone interact. energy: -2.737
local terms energy: -776.866298
where:
bonds (distance) C4'-P energy: -125.560
bonds (distance) P-C4' energy: -143.391
flat angles C4'-P-C4' energy: -160.017
flat angles P-C4'-P energy: -111.899
tors. eta vs tors. theta energy: -235.999
Dist. restrs. and SS energy: 10.579 (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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2531.154889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.154889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.433349 (E_RNA)
where:
Base-Base interactions energy: -1797.546
where: short stacking energy: -717.127
Base-Backbone interact. energy: 0.846
local terms energy: -738.733460
where:
bonds (distance) C4'-P energy: -121.246
bonds (distance) P-C4' energy: -122.854
flat angles C4'-P-C4' energy: -157.310
flat angles P-C4'-P energy: -107.656
tors. eta vs tors. theta energy: -229.667
Dist. restrs. and SS energy: 4.278 (S_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: 147
Temperature: 1.100000
Total energy: -2485.042080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.042080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.025533 (E_RNA)
where:
Base-Base interactions energy: -1757.987
where: short stacking energy: -711.368
Base-Backbone interact. energy: -1.956
local terms energy: -731.082279
where:
bonds (distance) C4'-P energy: -130.364
bonds (distance) P-C4' energy: -140.391
flat angles C4'-P-C4' energy: -137.554
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -224.896
Dist. restrs. and SS energy: 5.983 (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: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2385.766438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.766438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.885087 (E_RNA)
where:
Base-Base interactions energy: -1709.687
where: short stacking energy: -701.048
Base-Backbone interact. energy: -3.379
local terms energy: -676.819947
where:
bonds (distance) C4'-P energy: -100.327
bonds (distance) P-C4' energy: -134.578
flat angles C4'-P-C4' energy: -140.638
flat angles P-C4'-P energy: -83.726
tors. eta vs tors. theta energy: -217.551
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: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2292.920714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.920714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.800248 (E_RNA)
where:
Base-Base interactions energy: -1624.512
where: short stacking energy: -649.199
Base-Backbone interact. energy: -2.104
local terms energy: -682.184075
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -124.401
flat angles C4'-P-C4' energy: -138.564
flat angles P-C4'-P energy: -106.154
tors. eta vs tors. theta energy: -207.082
Dist. restrs. and SS energy: 15.880 (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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2219.061197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.061197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.657402 (E_RNA)
where:
Base-Base interactions energy: -1586.873
where: short stacking energy: -648.661
Base-Backbone interact. energy: -3.826
local terms energy: -644.958243
where:
bonds (distance) C4'-P energy: -121.424
bonds (distance) P-C4' energy: -97.393
flat angles C4'-P-C4' energy: -142.818
flat angles P-C4'-P energy: -86.543
tors. eta vs tors. theta energy: -196.781
Dist. restrs. and SS energy: 16.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -2132.551319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.551319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.250397 (E_RNA)
where:
Base-Base interactions energy: -1547.862
where: short stacking energy: -619.002
Base-Backbone interact. energy: 2.025
local terms energy: -603.414158
where:
bonds (distance) C4'-P energy: -91.153
bonds (distance) P-C4' energy: -108.493
flat angles C4'-P-C4' energy: -129.791
flat angles P-C4'-P energy: -95.445
tors. eta vs tors. theta energy: -178.533
Dist. restrs. and SS energy: 16.699 (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: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1911.389943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.389943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.169201 (E_RNA)
where:
Base-Base interactions energy: -1345.915
where: short stacking energy: -554.820
Base-Backbone interact. energy: -3.499
local terms energy: -587.755841
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -99.560
flat angles C4'-P-C4' energy: -145.555
flat angles P-C4'-P energy: -77.937
tors. eta vs tors. theta energy: -162.859
Dist. restrs. and SS energy: 25.779 (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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2744.112387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.112387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.254705 (E_RNA)
where:
Base-Base interactions energy: -1937.952
where: short stacking energy: -785.667
Base-Backbone interact. energy: -2.199
local terms energy: -817.103869
where:
bonds (distance) C4'-P energy: -144.567
bonds (distance) P-C4' energy: -132.766
flat angles C4'-P-C4' energy: -171.290
flat angles P-C4'-P energy: -124.236
tors. eta vs tors. theta energy: -244.245
Dist. restrs. and SS energy: 13.142 (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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2667.936975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.936975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.565433 (E_RNA)
where:
Base-Base interactions energy: -1908.200
where: short stacking energy: -788.288
Base-Backbone interact. energy: 2.163
local terms energy: -771.527750
where:
bonds (distance) C4'-P energy: -129.790
bonds (distance) P-C4' energy: -136.830
flat angles C4'-P-C4' energy: -148.629
flat angles P-C4'-P energy: -123.893
tors. eta vs tors. theta energy: -232.386
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: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2609.486102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.486102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.464011 (E_RNA)
where:
Base-Base interactions energy: -1854.065
where: short stacking energy: -767.223
Base-Backbone interact. energy: -3.696
local terms energy: -757.703570
where:
bonds (distance) C4'-P energy: -130.065
bonds (distance) P-C4' energy: -125.707
flat angles C4'-P-C4' energy: -152.491
flat angles P-C4'-P energy: -109.397
tors. eta vs tors. theta energy: -240.044
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: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2553.874397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.874397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.276120 (E_RNA)
where:
Base-Base interactions energy: -1833.514
where: short stacking energy: -757.805
Base-Backbone interact. energy: -0.884
local terms energy: -723.878331
where:
bonds (distance) C4'-P energy: -111.568
bonds (distance) P-C4' energy: -116.683
flat angles C4'-P-C4' energy: -148.472
flat angles P-C4'-P energy: -119.417
tors. eta vs tors. theta energy: -227.739
Dist. restrs. and SS energy: 4.402 (S_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: 148
Temperature: 1.100000
Total energy: -2486.135141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.135141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.187935 (E_RNA)
where:
Base-Base interactions energy: -1782.139
where: short stacking energy: -700.207
Base-Backbone interact. energy: 0.911
local terms energy: -712.959128
where:
bonds (distance) C4'-P energy: -129.282
bonds (distance) P-C4' energy: -105.952
flat angles C4'-P-C4' energy: -151.779
flat angles P-C4'-P energy: -106.308
tors. eta vs tors. theta energy: -219.638
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: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2413.968075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.968075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.662907 (E_RNA)
where:
Base-Base interactions energy: -1703.582
where: short stacking energy: -700.764
Base-Backbone interact. energy: -1.087
local terms energy: -716.993827
where:
bonds (distance) C4'-P energy: -108.389
bonds (distance) P-C4' energy: -140.918
flat angles C4'-P-C4' energy: -152.617
flat angles P-C4'-P energy: -102.510
tors. eta vs tors. theta energy: -212.560
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: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2272.971212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.971212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.345359 (E_RNA)
where:
Base-Base interactions energy: -1605.728
where: short stacking energy: -649.548
Base-Backbone interact. energy: -2.512
local terms energy: -682.105252
where:
bonds (distance) C4'-P energy: -121.159
bonds (distance) P-C4' energy: -128.337
flat angles C4'-P-C4' energy: -127.130
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -213.611
Dist. restrs. and SS energy: 17.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2203.341319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.341319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.224541 (E_RNA)
where:
Base-Base interactions energy: -1553.699
where: short stacking energy: -635.553
Base-Backbone interact. energy: -1.870
local terms energy: -671.655797
where:
bonds (distance) C4'-P energy: -119.745
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -132.871
flat angles P-C4'-P energy: -97.018
tors. eta vs tors. theta energy: -202.514
Dist. restrs. and SS energy: 23.883 (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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -2145.573691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.573691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.953326 (E_RNA)
where:
Base-Base interactions energy: -1540.099
where: short stacking energy: -608.861
Base-Backbone interact. energy: -1.718
local terms energy: -615.136104
where:
bonds (distance) C4'-P energy: -103.094
bonds (distance) P-C4' energy: -107.042
flat angles C4'-P-C4' energy: -124.939
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -185.500
Dist. restrs. and SS energy: 11.380 (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: 148
Temperature: 1.350000
Total energy: -1846.270993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.270993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.087996 (E_RNA)
where:
Base-Base interactions energy: -1302.712
where: short stacking energy: -515.741
Base-Backbone interact. energy: -4.091
local terms energy: -562.284926
where:
bonds (distance) C4'-P energy: -103.059
bonds (distance) P-C4' energy: -130.819
flat angles C4'-P-C4' energy: -117.702
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -155.565
Dist. restrs. and SS energy: 22.817 (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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2753.680078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.680078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.629230 (E_RNA)
where:
Base-Base interactions energy: -1945.089
where: short stacking energy: -795.363
Base-Backbone interact. energy: -0.355
local terms energy: -818.185098
where:
bonds (distance) C4'-P energy: -144.623
bonds (distance) P-C4' energy: -142.240
flat angles C4'-P-C4' energy: -156.956
flat angles P-C4'-P energy: -128.432
tors. eta vs tors. theta energy: -245.933
Dist. restrs. and SS energy: 9.949 (S_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: 149
Temperature: 0.950000
Total energy: -2656.750284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.750284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.871820 (E_RNA)
where:
Base-Base interactions energy: -1888.080
where: short stacking energy: -774.047
Base-Backbone interact. energy: -2.327
local terms energy: -776.464637
where:
bonds (distance) C4'-P energy: -137.773
bonds (distance) P-C4' energy: -118.181
flat angles C4'-P-C4' energy: -159.744
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -248.053
Dist. restrs. and SS energy: 10.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2587.621357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.621357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.645363 (E_RNA)
where:
Base-Base interactions energy: -1850.792
where: short stacking energy: -757.240
Base-Backbone interact. energy: -0.214
local terms energy: -744.639037
where:
bonds (distance) C4'-P energy: -128.605
bonds (distance) P-C4' energy: -121.157
flat angles C4'-P-C4' energy: -154.456
flat angles P-C4'-P energy: -100.209
tors. eta vs tors. theta energy: -240.211
Dist. restrs. and SS energy: 8.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2574.809757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.809757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.867064 (E_RNA)
where:
Base-Base interactions energy: -1840.839
where: short stacking energy: -748.186
Base-Backbone interact. energy: -2.368
local terms energy: -734.659586
where:
bonds (distance) C4'-P energy: -115.862
bonds (distance) P-C4' energy: -132.430
flat angles C4'-P-C4' energy: -147.992
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -233.808
Dist. restrs. and SS energy: 3.057 (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: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2531.214300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.214300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.067374 (E_RNA)
where:
Base-Base interactions energy: -1784.299
where: short stacking energy: -740.059
Base-Backbone interact. energy: -0.631
local terms energy: -755.136956
where:
bonds (distance) C4'-P energy: -146.922
bonds (distance) P-C4' energy: -122.261
flat angles C4'-P-C4' energy: -147.014
flat angles P-C4'-P energy: -111.864
tors. eta vs tors. theta energy: -227.075
Dist. restrs. and SS energy: 8.853 (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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2431.001451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.001451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.881687 (E_RNA)
where:
Base-Base interactions energy: -1741.456
where: short stacking energy: -691.859
Base-Backbone interact. energy: 6.393
local terms energy: -701.818213
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -124.126
flat angles C4'-P-C4' energy: -152.557
flat angles P-C4'-P energy: -94.797
tors. eta vs tors. theta energy: -216.075
Dist. restrs. and SS energy: 5.880 (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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2283.127183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.286368 (E_RNA)
where:
Base-Base interactions energy: -1662.706
where: short stacking energy: -676.374
Base-Backbone interact. energy: -4.648
local terms energy: -629.931811
where:
bonds (distance) C4'-P energy: -116.226
bonds (distance) P-C4' energy: -101.100
flat angles C4'-P-C4' energy: -131.693
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: -210.689
Dist. restrs. and SS energy: 14.159 (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: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2185.969875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.969875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.887036 (E_RNA)
where:
Base-Base interactions energy: -1570.872
where: short stacking energy: -634.956
Base-Backbone interact. energy: -0.127
local terms energy: -641.888422
where:
bonds (distance) C4'-P energy: -98.210
bonds (distance) P-C4' energy: -130.417
flat angles C4'-P-C4' energy: -135.887
flat angles P-C4'-P energy: -90.467
tors. eta vs tors. theta energy: -186.907
Dist. restrs. and SS energy: 26.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -2140.160456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.160456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.378485 (E_RNA)
where:
Base-Base interactions energy: -1525.894
where: short stacking energy: -600.924
Base-Backbone interact. energy: -1.273
local terms energy: -622.210842
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -116.179
flat angles C4'-P-C4' energy: -120.215
flat angles P-C4'-P energy: -88.940
tors. eta vs tors. theta energy: -184.861
Dist. restrs. and SS energy: 9.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1898.785602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.785602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.566869 (E_RNA)
where:
Base-Base interactions energy: -1361.424
where: short stacking energy: -546.918
Base-Backbone interact. energy: -4.335
local terms energy: -552.808267
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -94.778
flat angles C4'-P-C4' energy: -116.156
flat angles P-C4'-P energy: -74.679
tors. eta vs tors. theta energy: -165.327
Dist. restrs. and SS energy: 19.781 (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: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2701.549000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.549000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.409262 (E_RNA)
where:
Base-Base interactions energy: -1907.929
where: short stacking energy: -782.254
Base-Backbone interact. energy: -3.670
local terms energy: -797.810044
where:
bonds (distance) C4'-P energy: -147.313
bonds (distance) P-C4' energy: -145.573
flat angles C4'-P-C4' energy: -165.013
flat angles P-C4'-P energy: -108.965
tors. eta vs tors. theta energy: -230.946
Dist. restrs. and SS energy: 7.860 (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: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2684.345646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.345646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.445948 (E_RNA)
where:
Base-Base interactions energy: -1888.100
where: short stacking energy: -789.732
Base-Backbone interact. energy: -2.641
local terms energy: -805.704322
where:
bonds (distance) C4'-P energy: -144.174
bonds (distance) P-C4' energy: -146.618
flat angles C4'-P-C4' energy: -158.579
flat angles P-C4'-P energy: -115.029
tors. eta vs tors. theta energy: -241.305
Dist. restrs. and SS energy: 12.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2586.948431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.948431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.871657 (E_RNA)
where:
Base-Base interactions energy: -1827.172
where: short stacking energy: -775.549
Base-Backbone interact. energy: -1.931
local terms energy: -763.768564
where:
bonds (distance) C4'-P energy: -125.200
bonds (distance) P-C4' energy: -133.057
flat angles C4'-P-C4' energy: -160.867
flat angles P-C4'-P energy: -110.588
tors. eta vs tors. theta energy: -234.057
Dist. restrs. and SS energy: 5.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2542.716397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.716397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.792079 (E_RNA)
where:
Base-Base interactions energy: -1798.662
where: short stacking energy: -723.991
Base-Backbone interact. energy: -1.211
local terms energy: -745.918284
where:
bonds (distance) C4'-P energy: -133.160
bonds (distance) P-C4' energy: -133.847
flat angles C4'-P-C4' energy: -154.740
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -226.606
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2499.536267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.536267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.569646 (E_RNA)
where:
Base-Base interactions energy: -1775.016
where: short stacking energy: -725.332
Base-Backbone interact. energy: 0.045
local terms energy: -735.598549
where:
bonds (distance) C4'-P energy: -116.920
bonds (distance) P-C4' energy: -134.813
flat angles C4'-P-C4' energy: -152.586
flat angles P-C4'-P energy: -100.193
tors. eta vs tors. theta energy: -231.088
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2383.441380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.441380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.234408 (E_RNA)
where:
Base-Base interactions energy: -1708.731
where: short stacking energy: -681.915
Base-Backbone interact. energy: -3.559
local terms energy: -678.944804
where:
bonds (distance) C4'-P energy: -121.384
bonds (distance) P-C4' energy: -119.632
flat angles C4'-P-C4' energy: -133.906
flat angles P-C4'-P energy: -98.218
tors. eta vs tors. theta energy: -205.806
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: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2287.207704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.207704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.953073 (E_RNA)
where:
Base-Base interactions energy: -1628.004
where: short stacking energy: -650.566
Base-Backbone interact. energy: 0.124
local terms energy: -675.073188
where:
bonds (distance) C4'-P energy: -127.009
bonds (distance) P-C4' energy: -118.508
flat angles C4'-P-C4' energy: -147.061
flat angles P-C4'-P energy: -91.792
tors. eta vs tors. theta energy: -190.703
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: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2224.532861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.532861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.779500 (E_RNA)
where:
Base-Base interactions energy: -1593.805
where: short stacking energy: -675.662
Base-Backbone interact. energy: -1.403
local terms energy: -638.571345
where:
bonds (distance) C4'-P energy: -105.271
bonds (distance) P-C4' energy: -111.218
flat angles C4'-P-C4' energy: -125.505
flat angles P-C4'-P energy: -90.704
tors. eta vs tors. theta energy: -205.873
Dist. restrs. and SS energy: 9.247 (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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -2086.629035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.629035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.019927 (E_RNA)
where:
Base-Base interactions energy: -1482.763
where: short stacking energy: -595.850
Base-Backbone interact. energy: -0.191
local terms energy: -616.065888
where:
bonds (distance) C4'-P energy: -111.951
bonds (distance) P-C4' energy: -98.317
flat angles C4'-P-C4' energy: -124.891
flat angles P-C4'-P energy: -91.936
tors. eta vs tors. theta energy: -188.971
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: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1879.250204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.250204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.255113 (E_RNA)
where:
Base-Base interactions energy: -1350.875
where: short stacking energy: -549.258
Base-Backbone interact. energy: -0.461
local terms energy: -557.918633
where:
bonds (distance) C4'-P energy: -113.600
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -116.208
flat angles P-C4'-P energy: -67.885
tors. eta vs tors. theta energy: -158.122
Dist. restrs. and SS energy: 30.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2724.612704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.612704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.365938 (E_RNA)
where:
Base-Base interactions energy: -1916.180
where: short stacking energy: -772.024
Base-Backbone interact. energy: -2.337
local terms energy: -809.848500
where:
bonds (distance) C4'-P energy: -142.148
bonds (distance) P-C4' energy: -137.614
flat angles C4'-P-C4' energy: -168.999
flat angles P-C4'-P energy: -122.012
tors. eta vs tors. theta energy: -239.076
Dist. restrs. and SS energy: 3.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2682.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.589672 (E_RNA)
where:
Base-Base interactions energy: -1889.182
where: short stacking energy: -777.072
Base-Backbone interact. energy: -1.911
local terms energy: -803.496619
where:
bonds (distance) C4'-P energy: -146.780
bonds (distance) P-C4' energy: -126.310
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -115.979
tors. eta vs tors. theta energy: -249.182
Dist. restrs. and SS energy: 12.404 (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: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2609.203351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.203351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.925948 (E_RNA)
where:
Base-Base interactions energy: -1830.447
where: short stacking energy: -754.502
Base-Backbone interact. energy: -3.324
local terms energy: -780.155515
where:
bonds (distance) C4'-P energy: -142.105
bonds (distance) P-C4' energy: -143.761
flat angles C4'-P-C4' energy: -145.060
flat angles P-C4'-P energy: -114.121
tors. eta vs tors. theta energy: -235.109
Dist. restrs. and SS energy: 4.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2525.262258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.262258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.587141 (E_RNA)
where:
Base-Base interactions energy: -1794.465
where: short stacking energy: -735.326
Base-Backbone interact. energy: -4.450
local terms energy: -729.672014
where:
bonds (distance) C4'-P energy: -124.996
bonds (distance) P-C4' energy: -121.464
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -105.558
tors. eta vs tors. theta energy: -220.551
Dist. restrs. and SS energy: 3.325 (S_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: 151
Temperature: 1.100000
Total energy: -2503.345214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.345214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.817392 (E_RNA)
where:
Base-Base interactions energy: -1785.808
where: short stacking energy: -721.716
Base-Backbone interact. energy: -2.208
local terms energy: -726.801301
where:
bonds (distance) C4'-P energy: -131.029
bonds (distance) P-C4' energy: -116.144
flat angles C4'-P-C4' energy: -154.815
flat angles P-C4'-P energy: -92.191
tors. eta vs tors. theta energy: -232.622
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: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2401.065776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.065776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.626980 (E_RNA)
where:
Base-Base interactions energy: -1721.584
where: short stacking energy: -702.016
Base-Backbone interact. energy: -2.179
local terms energy: -685.864251
where:
bonds (distance) C4'-P energy: -113.714
bonds (distance) P-C4' energy: -125.514
flat angles C4'-P-C4' energy: -142.443
flat angles P-C4'-P energy: -96.540
tors. eta vs tors. theta energy: -207.653
Dist. restrs. and SS energy: 8.561 (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: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2261.943206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.943206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.379347 (E_RNA)
where:
Base-Base interactions energy: -1615.524
where: short stacking energy: -672.517
Base-Backbone interact. energy: -1.954
local terms energy: -668.900674
where:
bonds (distance) C4'-P energy: -128.264
bonds (distance) P-C4' energy: -115.953
flat angles C4'-P-C4' energy: -132.372
flat angles P-C4'-P energy: -96.386
tors. eta vs tors. theta energy: -195.926
Dist. restrs. and SS energy: 24.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2238.274077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.274077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.141900 (E_RNA)
where:
Base-Base interactions energy: -1593.359
where: short stacking energy: -639.944
Base-Backbone interact. energy: -2.072
local terms energy: -651.711015
where:
bonds (distance) C4'-P energy: -102.188
bonds (distance) P-C4' energy: -123.199
flat angles C4'-P-C4' energy: -142.615
flat angles P-C4'-P energy: -85.636
tors. eta vs tors. theta energy: -198.074
Dist. restrs. and SS energy: 8.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -2089.484000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.484000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.206052 (E_RNA)
where:
Base-Base interactions energy: -1489.890
where: short stacking energy: -585.609
Base-Backbone interact. energy: 7.994
local terms energy: -623.309562
where:
bonds (distance) C4'-P energy: -102.012
bonds (distance) P-C4' energy: -142.103
flat angles C4'-P-C4' energy: -122.564
flat angles P-C4'-P energy: -79.581
tors. eta vs tors. theta energy: -177.050
Dist. restrs. and SS energy: 15.722 (S_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: 151
Temperature: 1.350000
Total energy: -1874.157296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.157296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.329766 (E_RNA)
where:
Base-Base interactions energy: -1347.794
where: short stacking energy: -529.842
Base-Backbone interact. energy: 1.226
local terms energy: -545.761184
where:
bonds (distance) C4'-P energy: -98.475
bonds (distance) P-C4' energy: -100.493
flat angles C4'-P-C4' energy: -120.601
flat angles P-C4'-P energy: -73.378
tors. eta vs tors. theta energy: -152.814
Dist. restrs. and SS energy: 18.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2739.029126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.029126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.741529 (E_RNA)
where:
Base-Base interactions energy: -1924.991
where: short stacking energy: -816.980
Base-Backbone interact. energy: -1.455
local terms energy: -825.295399
where:
bonds (distance) C4'-P energy: -142.476
bonds (distance) P-C4' energy: -148.870
flat angles C4'-P-C4' energy: -171.206
flat angles P-C4'-P energy: -116.661
tors. eta vs tors. theta energy: -246.082
Dist. restrs. and SS energy: 12.712 (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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2652.053808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.053808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.642373 (E_RNA)
where:
Base-Base interactions energy: -1885.093
where: short stacking energy: -770.427
Base-Backbone interact. energy: -1.027
local terms energy: -768.521565
where:
bonds (distance) C4'-P energy: -134.806
bonds (distance) P-C4' energy: -130.974
flat angles C4'-P-C4' energy: -165.137
flat angles P-C4'-P energy: -104.735
tors. eta vs tors. theta energy: -232.870
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2595.220776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.220776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.484387 (E_RNA)
where:
Base-Base interactions energy: -1841.741
where: short stacking energy: -774.393
Base-Backbone interact. energy: -3.730
local terms energy: -753.013432
where:
bonds (distance) C4'-P energy: -129.716
bonds (distance) P-C4' energy: -132.487
flat angles C4'-P-C4' energy: -155.409
flat angles P-C4'-P energy: -104.516
tors. eta vs tors. theta energy: -230.885
Dist. restrs. and SS energy: 3.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2556.458842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.458842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.203141 (E_RNA)
where:
Base-Base interactions energy: -1816.761
where: short stacking energy: -745.234
Base-Backbone interact. energy: -3.476
local terms energy: -740.966178
where:
bonds (distance) C4'-P energy: -118.467
bonds (distance) P-C4' energy: -136.744
flat angles C4'-P-C4' energy: -156.697
flat angles P-C4'-P energy: -99.668
tors. eta vs tors. theta energy: -229.390
Dist. restrs. and SS energy: 4.744 (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: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2469.456687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.456687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.139148 (E_RNA)
where:
Base-Base interactions energy: -1776.555
where: short stacking energy: -734.968
Base-Backbone interact. energy: -3.874
local terms energy: -691.709360
where:
bonds (distance) C4'-P energy: -93.550
bonds (distance) P-C4' energy: -133.510
flat angles C4'-P-C4' energy: -159.267
flat angles P-C4'-P energy: -88.084
tors. eta vs tors. theta energy: -217.298
Dist. restrs. and SS energy: 2.682 (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: 152
Temperature: 1.150000
Total energy: -2405.508810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.508810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.384731 (E_RNA)
where:
Base-Base interactions energy: -1696.414
where: short stacking energy: -698.385
Base-Backbone interact. energy: -1.153
local terms energy: -715.818093
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -137.509
flat angles C4'-P-C4' energy: -140.697
flat angles P-C4'-P energy: -99.993
tors. eta vs tors. theta energy: -216.243
Dist. restrs. and SS energy: 7.876 (S_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: 152
Temperature: 1.200000
Total energy: -2325.065500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.065500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.497546 (E_RNA)
where:
Base-Base interactions energy: -1643.742
where: short stacking energy: -661.768
Base-Backbone interact. energy: -1.843
local terms energy: -692.912927
where:
bonds (distance) C4'-P energy: -115.203
bonds (distance) P-C4' energy: -124.899
flat angles C4'-P-C4' energy: -140.462
flat angles P-C4'-P energy: -98.701
tors. eta vs tors. theta energy: -213.647
Dist. restrs. and SS energy: 13.432 (S_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: 152
Temperature: 1.250000
Total energy: -2228.201292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.201292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.988988 (E_RNA)
where:
Base-Base interactions energy: -1619.548
where: short stacking energy: -642.417
Base-Backbone interact. energy: 1.461
local terms energy: -631.901918
where:
bonds (distance) C4'-P energy: -102.132
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -132.850
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -191.823
Dist. restrs. and SS energy: 21.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -2150.159054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.159054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.022021 (E_RNA)
where:
Base-Base interactions energy: -1542.740
where: short stacking energy: -617.557
Base-Backbone interact. energy: 5.409
local terms energy: -624.691005
where:
bonds (distance) C4'-P energy: -102.316
bonds (distance) P-C4' energy: -124.361
flat angles C4'-P-C4' energy: -134.679
flat angles P-C4'-P energy: -72.841
tors. eta vs tors. theta energy: -190.495
Dist. restrs. and SS energy: 11.863 (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: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1876.585550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.585550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.502394 (E_RNA)
where:
Base-Base interactions energy: -1302.180
where: short stacking energy: -539.656
Base-Backbone interact. energy: 1.421
local terms energy: -602.743259
where:
bonds (distance) C4'-P energy: -127.802
bonds (distance) P-C4' energy: -114.941
flat angles C4'-P-C4' energy: -132.503
flat angles P-C4'-P energy: -63.219
tors. eta vs tors. theta energy: -164.277
Dist. restrs. and SS energy: 26.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2730.454568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.454568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.694617 (E_RNA)
where:
Base-Base interactions energy: -1944.690
where: short stacking energy: -781.735
Base-Backbone interact. energy: -0.151
local terms energy: -794.853029
where:
bonds (distance) C4'-P energy: -127.110
bonds (distance) P-C4' energy: -144.506
flat angles C4'-P-C4' energy: -169.249
flat angles P-C4'-P energy: -109.606
tors. eta vs tors. theta energy: -244.382
Dist. restrs. and SS energy: 9.240 (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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2676.565366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.565366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.002331 (E_RNA)
where:
Base-Base interactions energy: -1880.722
where: short stacking energy: -775.907
Base-Backbone interact. energy: -1.205
local terms energy: -797.075321
where:
bonds (distance) C4'-P energy: -141.322
bonds (distance) P-C4' energy: -133.151
flat angles C4'-P-C4' energy: -164.759
flat angles P-C4'-P energy: -121.883
tors. eta vs tors. theta energy: -235.960
Dist. restrs. and SS energy: 2.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2607.712619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.712619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.342670 (E_RNA)
where:
Base-Base interactions energy: -1863.910
where: short stacking energy: -760.347
Base-Backbone interact. energy: -1.562
local terms energy: -748.870088
where:
bonds (distance) C4'-P energy: -127.787
bonds (distance) P-C4' energy: -130.777
flat angles C4'-P-C4' energy: -154.196
flat angles P-C4'-P energy: -106.135
tors. eta vs tors. theta energy: -229.975
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: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2537.179118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.179118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.608492 (E_RNA)
where:
Base-Base interactions energy: -1804.813
where: short stacking energy: -756.479
Base-Backbone interact. energy: -1.098
local terms energy: -733.697719
where:
bonds (distance) C4'-P energy: -126.150
bonds (distance) P-C4' energy: -115.108
flat angles C4'-P-C4' energy: -160.537
flat angles P-C4'-P energy: -101.439
tors. eta vs tors. theta energy: -230.464
Dist. restrs. and SS energy: 2.429 (S_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: 153
Temperature: 1.100000
Total energy: -2467.345697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.345697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.071946 (E_RNA)
where:
Base-Base interactions energy: -1735.444
where: short stacking energy: -698.000
Base-Backbone interact. energy: -2.556
local terms energy: -733.071598
where:
bonds (distance) C4'-P energy: -135.475
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -155.583
flat angles P-C4'-P energy: -110.272
tors. eta vs tors. theta energy: -214.897
Dist. restrs. and SS energy: 3.726 (S_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: 153
Temperature: 1.150000
Total energy: -2424.666413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.666413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.922438 (E_RNA)
where:
Base-Base interactions energy: -1748.458
where: short stacking energy: -700.267
Base-Backbone interact. energy: -4.298
local terms energy: -681.166511
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -110.164
flat angles C4'-P-C4' energy: -135.019
flat angles P-C4'-P energy: -112.156
tors. eta vs tors. theta energy: -215.013
Dist. restrs. and SS energy: 9.256 (S_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: 153
Temperature: 1.200000
Total energy: -2298.854965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.854965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.569458 (E_RNA)
where:
Base-Base interactions energy: -1631.814
where: short stacking energy: -666.603
Base-Backbone interact. energy: -1.916
local terms energy: -676.839266
where:
bonds (distance) C4'-P energy: -111.267
bonds (distance) P-C4' energy: -113.089
flat angles C4'-P-C4' energy: -142.346
flat angles P-C4'-P energy: -103.096
tors. eta vs tors. theta energy: -207.042
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: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2232.028329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.028329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.923151 (E_RNA)
where:
Base-Base interactions energy: -1576.471
where: short stacking energy: -627.255
Base-Backbone interact. energy: -1.050
local terms energy: -665.401914
where:
bonds (distance) C4'-P energy: -133.789
bonds (distance) P-C4' energy: -125.002
flat angles C4'-P-C4' energy: -143.296
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -194.735
Dist. restrs. and SS energy: 10.895 (S_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: 153
Temperature: 1.300000
Total energy: -2105.840477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.840477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.149592 (E_RNA)
where:
Base-Base interactions energy: -1500.476
where: short stacking energy: -613.144
Base-Backbone interact. energy: -2.935
local terms energy: -627.738347
where:
bonds (distance) C4'-P energy: -112.188
bonds (distance) P-C4' energy: -112.523
flat angles C4'-P-C4' energy: -133.311
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -187.343
Dist. restrs. and SS energy: 25.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1870.488446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.488446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.270327 (E_RNA)
where:
Base-Base interactions energy: -1360.045
where: short stacking energy: -523.975
Base-Backbone interact. energy: -0.134
local terms energy: -536.091762
where:
bonds (distance) C4'-P energy: -86.445
bonds (distance) P-C4' energy: -102.014
flat angles C4'-P-C4' energy: -127.108
flat angles P-C4'-P energy: -65.545
tors. eta vs tors. theta energy: -154.979
Dist. restrs. and SS energy: 25.782 (S_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: 154
Temperature: 0.900000
Total energy: -2738.132029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.132029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.717514 (E_RNA)
where:
Base-Base interactions energy: -1925.205
where: short stacking energy: -807.954
Base-Backbone interact. energy: -1.040
local terms energy: -814.472508
where:
bonds (distance) C4'-P energy: -142.936
bonds (distance) P-C4' energy: -147.514
flat angles C4'-P-C4' energy: -158.274
flat angles P-C4'-P energy: -121.087
tors. eta vs tors. theta energy: -244.662
Dist. restrs. and SS energy: 2.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2647.348839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.348839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.813284 (E_RNA)
where:
Base-Base interactions energy: -1887.838
where: short stacking energy: -779.086
Base-Backbone interact. energy: -0.063
local terms energy: -770.911991
where:
bonds (distance) C4'-P energy: -128.241
bonds (distance) P-C4' energy: -138.265
flat angles C4'-P-C4' energy: -162.905
flat angles P-C4'-P energy: -100.977
tors. eta vs tors. theta energy: -240.524
Dist. restrs. and SS energy: 11.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2590.101761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.101761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.342578 (E_RNA)
where:
Base-Base interactions energy: -1834.957
where: short stacking energy: -748.460
Base-Backbone interact. energy: -0.288
local terms energy: -759.098014
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -126.393
flat angles C4'-P-C4' energy: -163.737
flat angles P-C4'-P energy: -110.732
tors. eta vs tors. theta energy: -238.135
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2535.439416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.439416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.887736 (E_RNA)
where:
Base-Base interactions energy: -1776.847
where: short stacking energy: -721.911
Base-Backbone interact. energy: -0.988
local terms energy: -761.053081
where:
bonds (distance) C4'-P energy: -145.538
bonds (distance) P-C4' energy: -132.687
flat angles C4'-P-C4' energy: -152.856
flat angles P-C4'-P energy: -95.243
tors. eta vs tors. theta energy: -234.729
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2467.831819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.831819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.089551 (E_RNA)
where:
Base-Base interactions energy: -1759.831
where: short stacking energy: -702.164
Base-Backbone interact. energy: -2.795
local terms energy: -711.463467
where:
bonds (distance) C4'-P energy: -115.976
bonds (distance) P-C4' energy: -132.959
flat angles C4'-P-C4' energy: -149.435
flat angles P-C4'-P energy: -95.641
tors. eta vs tors. theta energy: -217.453
Dist. restrs. and SS energy: 6.258 (S_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: 154
Temperature: 1.150000
Total energy: -2390.538751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.538751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.564373 (E_RNA)
where:
Base-Base interactions energy: -1696.148
where: short stacking energy: -717.717
Base-Backbone interact. energy: -0.072
local terms energy: -702.344723
where:
bonds (distance) C4'-P energy: -123.158
bonds (distance) P-C4' energy: -126.303
flat angles C4'-P-C4' energy: -135.630
flat angles P-C4'-P energy: -83.993
tors. eta vs tors. theta energy: -233.261
Dist. restrs. and SS energy: 8.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2248.063344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.063344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.887782 (E_RNA)
where:
Base-Base interactions energy: -1594.772
where: short stacking energy: -648.763
Base-Backbone interact. energy: -3.030
local terms energy: -665.085007
where:
bonds (distance) C4'-P energy: -134.337
bonds (distance) P-C4' energy: -112.626
flat angles C4'-P-C4' energy: -120.921
flat angles P-C4'-P energy: -96.350
tors. eta vs tors. theta energy: -200.851
Dist. restrs. and SS energy: 14.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2204.369563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.369563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.622607 (E_RNA)
where:
Base-Base interactions energy: -1593.174
where: short stacking energy: -642.750
Base-Backbone interact. energy: 5.537
local terms energy: -624.986420
where:
bonds (distance) C4'-P energy: -103.860
bonds (distance) P-C4' energy: -102.134
flat angles C4'-P-C4' energy: -131.078
flat angles P-C4'-P energy: -84.933
tors. eta vs tors. theta energy: -202.982
Dist. restrs. and SS energy: 8.253 (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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -2117.388089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.388089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.809584 (E_RNA)
where:
Base-Base interactions energy: -1507.092
where: short stacking energy: -593.592
Base-Backbone interact. energy: 1.512
local terms energy: -625.228895
where:
bonds (distance) C4'-P energy: -105.483
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -135.920
flat angles P-C4'-P energy: -90.799
tors. eta vs tors. theta energy: -182.078
Dist. restrs. and SS energy: 13.421 (S_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: 154
Temperature: 1.350000
Total energy: -1881.077188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.077188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.482155 (E_RNA)
where:
Base-Base interactions energy: -1359.862
where: short stacking energy: -535.300
Base-Backbone interact. energy: -1.776
local terms energy: -536.844213
where:
bonds (distance) C4'-P energy: -101.035
bonds (distance) P-C4' energy: -95.480
flat angles C4'-P-C4' energy: -111.420
flat angles P-C4'-P energy: -70.436
tors. eta vs tors. theta energy: -158.474
Dist. restrs. and SS energy: 17.405 (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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2715.822624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.822624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.673527 (E_RNA)
where:
Base-Base interactions energy: -1918.352
where: short stacking energy: -798.338
Base-Backbone interact. energy: -0.241
local terms energy: -804.080914
where:
bonds (distance) C4'-P energy: -147.908
bonds (distance) P-C4' energy: -141.070
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -110.606
tors. eta vs tors. theta energy: -237.752
Dist. restrs. and SS energy: 6.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2674.390512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.390512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.251238 (E_RNA)
where:
Base-Base interactions energy: -1889.981
where: short stacking energy: -763.597
Base-Backbone interact. energy: -3.091
local terms energy: -791.179017
where:
bonds (distance) C4'-P energy: -134.046
bonds (distance) P-C4' energy: -128.065
flat angles C4'-P-C4' energy: -175.619
flat angles P-C4'-P energy: -109.418
tors. eta vs tors. theta energy: -244.032
Dist. restrs. and SS energy: 9.861 (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: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2600.869696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.869696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.851941 (E_RNA)
where:
Base-Base interactions energy: -1828.545
where: short stacking energy: -754.886
Base-Backbone interact. energy: -2.027
local terms energy: -780.280161
where:
bonds (distance) C4'-P energy: -127.127
bonds (distance) P-C4' energy: -140.994
flat angles C4'-P-C4' energy: -162.968
flat angles P-C4'-P energy: -109.042
tors. eta vs tors. theta energy: -240.149
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2540.231088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.231088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.324465 (E_RNA)
where:
Base-Base interactions energy: -1776.272
where: short stacking energy: -742.109
Base-Backbone interact. energy: -3.711
local terms energy: -765.341072
where:
bonds (distance) C4'-P energy: -132.376
bonds (distance) P-C4' energy: -143.557
flat angles C4'-P-C4' energy: -159.948
flat angles P-C4'-P energy: -99.145
tors. eta vs tors. theta energy: -230.315
Dist. restrs. and SS energy: 5.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2485.900723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.900723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.297207 (E_RNA)
where:
Base-Base interactions energy: -1763.951
where: short stacking energy: -706.526
Base-Backbone interact. energy: -3.666
local terms energy: -727.680095
where:
bonds (distance) C4'-P energy: -134.386
bonds (distance) P-C4' energy: -135.717
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -103.300
tors. eta vs tors. theta energy: -214.978
Dist. restrs. and SS energy: 9.396 (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: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2436.271525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.271525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.688146 (E_RNA)
where:
Base-Base interactions energy: -1743.939
where: short stacking energy: -719.702
Base-Backbone interact. energy: -1.028
local terms energy: -699.721090
where:
bonds (distance) C4'-P energy: -113.850
bonds (distance) P-C4' energy: -92.311
flat angles C4'-P-C4' energy: -161.366
flat angles P-C4'-P energy: -102.187
tors. eta vs tors. theta energy: -230.006
Dist. restrs. and SS energy: 8.417 (S_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: 155
Temperature: 1.200000
Total energy: -2314.996104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.996104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.252451 (E_RNA)
where:
Base-Base interactions energy: -1653.681
where: short stacking energy: -648.420
Base-Backbone interact. energy: -4.886
local terms energy: -665.684676
where:
bonds (distance) C4'-P energy: -101.771
bonds (distance) P-C4' energy: -118.445
flat angles C4'-P-C4' energy: -150.806
flat angles P-C4'-P energy: -86.424
tors. eta vs tors. theta energy: -208.240
Dist. restrs. and SS energy: 9.256 (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: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2286.419801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.419801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.580060 (E_RNA)
where:
Base-Base interactions energy: -1635.784
where: short stacking energy: -666.796
Base-Backbone interact. energy: 0.951
local terms energy: -662.746993
where:
bonds (distance) C4'-P energy: -119.034
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -149.838
flat angles P-C4'-P energy: -81.995
tors. eta vs tors. theta energy: -203.638
Dist. restrs. and SS energy: 11.160 (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: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -2113.202246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.202246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.205675 (E_RNA)
where:
Base-Base interactions energy: -1511.362
where: short stacking energy: -586.170
Base-Backbone interact. energy: 0.103
local terms energy: -626.946348
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -128.663
flat angles P-C4'-P energy: -96.496
tors. eta vs tors. theta energy: -187.927
Dist. restrs. and SS energy: 25.003 (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: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1870.947090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.947090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.804857 (E_RNA)
where:
Base-Base interactions energy: -1378.820
where: short stacking energy: -521.478
Base-Backbone interact. energy: -0.246
local terms energy: -507.739537
where:
bonds (distance) C4'-P energy: -90.068
bonds (distance) P-C4' energy: -75.879
flat angles C4'-P-C4' energy: -121.415
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: -161.864
Dist. restrs. and SS energy: 15.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2750.386180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.386180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.605676 (E_RNA)
where:
Base-Base interactions energy: -1930.833
where: short stacking energy: -808.722
Base-Backbone interact. energy: 0.498
local terms energy: -824.270082
where:
bonds (distance) C4'-P energy: -150.692
bonds (distance) P-C4' energy: -140.222
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -113.492
tors. eta vs tors. theta energy: -248.048
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: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2676.107812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.107812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.694507 (E_RNA)
where:
Base-Base interactions energy: -1874.657
where: short stacking energy: -743.737
Base-Backbone interact. energy: -1.365
local terms energy: -810.673064
where:
bonds (distance) C4'-P energy: -147.474
bonds (distance) P-C4' energy: -146.591
flat angles C4'-P-C4' energy: -164.681
flat angles P-C4'-P energy: -114.429
tors. eta vs tors. theta energy: -237.498
Dist. restrs. and SS energy: 10.587 (S_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: 156
Temperature: 1.000000
Total energy: -2611.882519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.882519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.124739 (E_RNA)
where:
Base-Base interactions energy: -1827.284
where: short stacking energy: -757.864
Base-Backbone interact. energy: -1.836
local terms energy: -787.004044
where:
bonds (distance) C4'-P energy: -139.923
bonds (distance) P-C4' energy: -143.291
flat angles C4'-P-C4' energy: -157.875
flat angles P-C4'-P energy: -110.196
tors. eta vs tors. theta energy: -235.719
Dist. restrs. and SS energy: 4.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2560.052115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.052115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.178852 (E_RNA)
where:
Base-Base interactions energy: -1804.498
where: short stacking energy: -748.609
Base-Backbone interact. energy: 0.479
local terms energy: -767.159615
where:
bonds (distance) C4'-P energy: -125.182
bonds (distance) P-C4' energy: -144.693
flat angles C4'-P-C4' energy: -153.963
flat angles P-C4'-P energy: -103.022
tors. eta vs tors. theta energy: -240.299
Dist. restrs. and SS energy: 11.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2514.098552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.098552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.677067 (E_RNA)
where:
Base-Base interactions energy: -1803.567
where: short stacking energy: -724.957
Base-Backbone interact. energy: -1.655
local terms energy: -716.454841
where:
bonds (distance) C4'-P energy: -131.382
bonds (distance) P-C4' energy: -129.464
flat angles C4'-P-C4' energy: -146.405
flat angles P-C4'-P energy: -96.059
tors. eta vs tors. theta energy: -213.146
Dist. restrs. and SS energy: 7.579 (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: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2385.874085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.874085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.505518 (E_RNA)
where:
Base-Base interactions energy: -1702.958
where: short stacking energy: -688.864
Base-Backbone interact. energy: -1.623
local terms energy: -687.923631
where:
bonds (distance) C4'-P energy: -108.965
bonds (distance) P-C4' energy: -128.345
flat angles C4'-P-C4' energy: -143.837
flat angles P-C4'-P energy: -101.099
tors. eta vs tors. theta energy: -205.678
Dist. restrs. and SS energy: 6.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2321.787130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.787130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.747391 (E_RNA)
where:
Base-Base interactions energy: -1684.731
where: short stacking energy: -686.374
Base-Backbone interact. energy: -0.670
local terms energy: -646.346332
where:
bonds (distance) C4'-P energy: -116.461
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -132.143
flat angles P-C4'-P energy: -88.559
tors. eta vs tors. theta energy: -211.357
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: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2232.048946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.048946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.225113 (E_RNA)
where:
Base-Base interactions energy: -1591.872
where: short stacking energy: -659.643
Base-Backbone interact. energy: 2.630
local terms energy: -656.983311
where:
bonds (distance) C4'-P energy: -104.512
bonds (distance) P-C4' energy: -122.465
flat angles C4'-P-C4' energy: -148.296
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: -204.903
Dist. restrs. and SS energy: 14.176 (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: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2086.009966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.009966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.831455 (E_RNA)
where:
Base-Base interactions energy: -1469.371
where: short stacking energy: -599.957
Base-Backbone interact. energy: -3.557
local terms energy: -632.903704
where:
bonds (distance) C4'-P energy: -105.689
bonds (distance) P-C4' energy: -99.910
flat angles C4'-P-C4' energy: -142.500
flat angles P-C4'-P energy: -97.390
tors. eta vs tors. theta energy: -187.415
Dist. restrs. and SS energy: 19.821 (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: 156
Temperature: 1.350000
Total energy: -1908.477871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.477871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.537990 (E_RNA)
where:
Base-Base interactions energy: -1370.268
where: short stacking energy: -522.560
Base-Backbone interact. energy: -0.104
local terms energy: -560.166231
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -110.147
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -95.630
tors. eta vs tors. theta energy: -152.276
Dist. restrs. and SS energy: 22.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2742.029118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.029118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.851681 (E_RNA)
where:
Base-Base interactions energy: -1924.281
where: short stacking energy: -796.435
Base-Backbone interact. energy: -2.940
local terms energy: -820.631442
where:
bonds (distance) C4'-P energy: -152.959
bonds (distance) P-C4' energy: -126.110
flat angles C4'-P-C4' energy: -171.899
flat angles P-C4'-P energy: -127.901
tors. eta vs tors. theta energy: -241.763
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2682.745797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.745797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.991840 (E_RNA)
where:
Base-Base interactions energy: -1903.856
where: short stacking energy: -770.753
Base-Backbone interact. energy: -3.225
local terms energy: -786.910767
where:
bonds (distance) C4'-P energy: -134.590
bonds (distance) P-C4' energy: -151.505
flat angles C4'-P-C4' energy: -165.375
flat angles P-C4'-P energy: -102.761
tors. eta vs tors. theta energy: -232.679
Dist. restrs. and SS energy: 11.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2603.650787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.650787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.920149 (E_RNA)
where:
Base-Base interactions energy: -1840.469
where: short stacking energy: -756.510
Base-Backbone interact. energy: -1.031
local terms energy: -767.420935
where:
bonds (distance) C4'-P energy: -131.682
bonds (distance) P-C4' energy: -130.912
flat angles C4'-P-C4' energy: -161.840
flat angles P-C4'-P energy: -115.703
tors. eta vs tors. theta energy: -227.284
Dist. restrs. and SS energy: 5.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2527.186584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.186584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.953616 (E_RNA)
where:
Base-Base interactions energy: -1787.909
where: short stacking energy: -745.675
Base-Backbone interact. energy: 0.501
local terms energy: -747.544920
where:
bonds (distance) C4'-P energy: -130.879
bonds (distance) P-C4' energy: -133.420
flat angles C4'-P-C4' energy: -161.427
flat angles P-C4'-P energy: -90.652
tors. eta vs tors. theta energy: -231.167
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: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2484.625322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.625322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.797337 (E_RNA)
where:
Base-Base interactions energy: -1762.154
where: short stacking energy: -707.660
Base-Backbone interact. energy: -0.746
local terms energy: -728.897096
where:
bonds (distance) C4'-P energy: -117.407
bonds (distance) P-C4' energy: -135.559
flat angles C4'-P-C4' energy: -151.980
flat angles P-C4'-P energy: -111.167
tors. eta vs tors. theta energy: -212.785
Dist. restrs. and SS energy: 7.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2420.580118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.580118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.325010 (E_RNA)
where:
Base-Base interactions energy: -1699.369
where: short stacking energy: -676.044
Base-Backbone interact. energy: -1.803
local terms energy: -731.153683
where:
bonds (distance) C4'-P energy: -134.563
bonds (distance) P-C4' energy: -126.794
flat angles C4'-P-C4' energy: -141.603
flat angles P-C4'-P energy: -105.905
tors. eta vs tors. theta energy: -222.289
Dist. restrs. and SS energy: 11.745 (S_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: 157
Temperature: 1.200000
Total energy: -2277.879197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.879197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.200404 (E_RNA)
where:
Base-Base interactions energy: -1619.009
where: short stacking energy: -632.118
Base-Backbone interact. energy: -4.114
local terms energy: -661.077172
where:
bonds (distance) C4'-P energy: -121.263
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -143.834
flat angles P-C4'-P energy: -100.105
tors. eta vs tors. theta energy: -192.428
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2241.283628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.283628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.600191 (E_RNA)
where:
Base-Base interactions energy: -1604.118
where: short stacking energy: -650.599
Base-Backbone interact. energy: -1.434
local terms energy: -649.047497
where:
bonds (distance) C4'-P energy: -121.528
bonds (distance) P-C4' energy: -117.354
flat angles C4'-P-C4' energy: -137.360
flat angles P-C4'-P energy: -70.141
tors. eta vs tors. theta energy: -202.665
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: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -2117.577453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.577453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.256753 (E_RNA)
where:
Base-Base interactions energy: -1515.559
where: short stacking energy: -632.961
Base-Backbone interact. energy: -3.312
local terms energy: -616.385709
where:
bonds (distance) C4'-P energy: -104.133
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -139.616
flat angles P-C4'-P energy: -65.664
tors. eta vs tors. theta energy: -189.993
Dist. restrs. and SS energy: 17.679 (S_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: 157
Temperature: 1.350000
Total energy: -1948.406998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.406998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.759145 (E_RNA)
where:
Base-Base interactions energy: -1365.609
where: short stacking energy: -538.960
Base-Backbone interact. energy: -3.848
local terms energy: -593.302772
where:
bonds (distance) C4'-P energy: -118.315
bonds (distance) P-C4' energy: -93.088
flat angles C4'-P-C4' energy: -141.456
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -164.038
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: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2742.421204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.421204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.897835 (E_RNA)
where:
Base-Base interactions energy: -1929.414
where: short stacking energy: -773.490
Base-Backbone interact. energy: -2.816
local terms energy: -814.667393
where:
bonds (distance) C4'-P energy: -136.001
bonds (distance) P-C4' energy: -154.744
flat angles C4'-P-C4' energy: -171.806
flat angles P-C4'-P energy: -119.584
tors. eta vs tors. theta energy: -232.532
Dist. restrs. and SS energy: 4.477 (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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2686.858489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.858489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.849124 (E_RNA)
where:
Base-Base interactions energy: -1905.883
where: short stacking energy: -758.600
Base-Backbone interact. energy: -2.768
local terms energy: -788.198517
where:
bonds (distance) C4'-P energy: -141.682
bonds (distance) P-C4' energy: -135.404
flat angles C4'-P-C4' energy: -155.515
flat angles P-C4'-P energy: -117.686
tors. eta vs tors. theta energy: -237.911
Dist. restrs. and SS energy: 9.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2609.696966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.696966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.211137 (E_RNA)
where:
Base-Base interactions energy: -1839.718
where: short stacking energy: -754.724
Base-Backbone interact. energy: -0.542
local terms energy: -774.951515
where:
bonds (distance) C4'-P energy: -126.017
bonds (distance) P-C4' energy: -142.403
flat angles C4'-P-C4' energy: -165.770
flat angles P-C4'-P energy: -104.051
tors. eta vs tors. theta energy: -236.711
Dist. restrs. and SS energy: 5.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2537.100511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.100511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.730207 (E_RNA)
where:
Base-Base interactions energy: -1798.282
where: short stacking energy: -751.133
Base-Backbone interact. energy: -1.286
local terms energy: -746.161349
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -137.888
flat angles C4'-P-C4' energy: -136.909
flat angles P-C4'-P energy: -109.622
tors. eta vs tors. theta energy: -236.214
Dist. restrs. and SS energy: 8.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2459.660423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.660423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.462550 (E_RNA)
where:
Base-Base interactions energy: -1743.392
where: short stacking energy: -698.494
Base-Backbone interact. energy: 0.159
local terms energy: -734.230064
where:
bonds (distance) C4'-P energy: -131.928
bonds (distance) P-C4' energy: -134.346
flat angles C4'-P-C4' energy: -156.172
flat angles P-C4'-P energy: -95.508
tors. eta vs tors. theta energy: -216.276
Dist. restrs. and SS energy: 17.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2435.083892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.083892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.828400 (E_RNA)
where:
Base-Base interactions energy: -1706.000
where: short stacking energy: -685.266
Base-Backbone interact. energy: -2.457
local terms energy: -733.371232
where:
bonds (distance) C4'-P energy: -115.273
bonds (distance) P-C4' energy: -133.313
flat angles C4'-P-C4' energy: -159.710
flat angles P-C4'-P energy: -111.209
tors. eta vs tors. theta energy: -213.865
Dist. restrs. and SS energy: 6.745 (S_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: 158
Temperature: 1.200000
Total energy: -2308.433469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.433469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.678644 (E_RNA)
where:
Base-Base interactions energy: -1643.389
where: short stacking energy: -687.251
Base-Backbone interact. energy: -2.834
local terms energy: -667.455809
where:
bonds (distance) C4'-P energy: -118.236
bonds (distance) P-C4' energy: -104.833
flat angles C4'-P-C4' energy: -137.510
flat angles P-C4'-P energy: -100.344
tors. eta vs tors. theta energy: -206.533
Dist. restrs. and SS energy: 5.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2225.390331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.390331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.227243 (E_RNA)
where:
Base-Base interactions energy: -1582.058
where: short stacking energy: -649.984
Base-Backbone interact. energy: -2.018
local terms energy: -653.151563
where:
bonds (distance) C4'-P energy: -107.207
bonds (distance) P-C4' energy: -113.215
flat angles C4'-P-C4' energy: -153.148
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -194.865
Dist. restrs. and SS energy: 11.837 (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: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -2100.587400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.587400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.721293 (E_RNA)
where:
Base-Base interactions energy: -1497.803
where: short stacking energy: -610.773
Base-Backbone interact. energy: -2.883
local terms energy: -624.035220
where:
bonds (distance) C4'-P energy: -103.630
bonds (distance) P-C4' energy: -108.502
flat angles C4'-P-C4' energy: -135.442
flat angles P-C4'-P energy: -87.301
tors. eta vs tors. theta energy: -189.160
Dist. restrs. and SS energy: 24.134 (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: 158
Temperature: 1.350000
Total energy: -1919.480595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.480595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.054834 (E_RNA)
where:
Base-Base interactions energy: -1357.430
where: short stacking energy: -523.769
Base-Backbone interact. energy: 7.131
local terms energy: -587.756073
where:
bonds (distance) C4'-P energy: -94.564
bonds (distance) P-C4' energy: -122.646
flat angles C4'-P-C4' energy: -110.774
flat angles P-C4'-P energy: -91.984
tors. eta vs tors. theta energy: -167.787
Dist. restrs. and SS energy: 18.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2705.773701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.773701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.182568 (E_RNA)
where:
Base-Base interactions energy: -1909.512
where: short stacking energy: -798.930
Base-Backbone interact. energy: -0.925
local terms energy: -797.745772
where:
bonds (distance) C4'-P energy: -149.102
bonds (distance) P-C4' energy: -136.032
flat angles C4'-P-C4' energy: -155.535
flat angles P-C4'-P energy: -114.033
tors. eta vs tors. theta energy: -243.043
Dist. restrs. and SS energy: 2.409 (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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2676.432518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.432518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.667944 (E_RNA)
where:
Base-Base interactions energy: -1899.184
where: short stacking energy: -775.160
Base-Backbone interact. energy: -0.891
local terms energy: -786.593135
where:
bonds (distance) C4'-P energy: -125.236
bonds (distance) P-C4' energy: -135.562
flat angles C4'-P-C4' energy: -163.430
flat angles P-C4'-P energy: -115.522
tors. eta vs tors. theta energy: -246.844
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2621.699409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.699409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.465517 (E_RNA)
where:
Base-Base interactions energy: -1855.538
where: short stacking energy: -770.402
Base-Backbone interact. energy: 0.049
local terms energy: -770.976918
where:
bonds (distance) C4'-P energy: -131.352
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -162.630
flat angles P-C4'-P energy: -105.600
tors. eta vs tors. theta energy: -244.392
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2517.200269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.200269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.372365 (E_RNA)
where:
Base-Base interactions energy: -1776.375
where: short stacking energy: -735.568
Base-Backbone interact. energy: -2.957
local terms energy: -746.040451
where:
bonds (distance) C4'-P energy: -137.683
bonds (distance) P-C4' energy: -130.993
flat angles C4'-P-C4' energy: -149.177
flat angles P-C4'-P energy: -104.880
tors. eta vs tors. theta energy: -223.308
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: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2434.874141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.874141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.687566 (E_RNA)
where:
Base-Base interactions energy: -1759.732
where: short stacking energy: -720.031
Base-Backbone interact. energy: -1.076
local terms energy: -687.879967
where:
bonds (distance) C4'-P energy: -99.636
bonds (distance) P-C4' energy: -124.850
flat angles C4'-P-C4' energy: -156.162
flat angles P-C4'-P energy: -91.740
tors. eta vs tors. theta energy: -215.492
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2416.486204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.486204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.014050 (E_RNA)
where:
Base-Base interactions energy: -1699.768
where: short stacking energy: -659.200
Base-Backbone interact. energy: -3.069
local terms energy: -720.176936
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -146.110
flat angles P-C4'-P energy: -99.665
tors. eta vs tors. theta energy: -217.705
Dist. restrs. and SS energy: 6.528 (S_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: 159
Temperature: 1.200000
Total energy: -2297.703008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.703008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.362231 (E_RNA)
where:
Base-Base interactions energy: -1606.703
where: short stacking energy: -655.570
Base-Backbone interact. energy: -0.449
local terms energy: -694.210596
where:
bonds (distance) C4'-P energy: -119.612
bonds (distance) P-C4' energy: -126.857
flat angles C4'-P-C4' energy: -141.637
flat angles P-C4'-P energy: -101.653
tors. eta vs tors. theta energy: -204.453
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2175.409191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.409191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.281771 (E_RNA)
where:
Base-Base interactions energy: -1567.471
where: short stacking energy: -624.947
Base-Backbone interact. energy: 1.255
local terms energy: -617.066007
where:
bonds (distance) C4'-P energy: -82.468
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -130.714
flat angles P-C4'-P energy: -94.126
tors. eta vs tors. theta energy: -191.557
Dist. restrs. and SS energy: 7.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2103.219114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.219114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.695171 (E_RNA)
where:
Base-Base interactions energy: -1506.257
where: short stacking energy: -613.180
Base-Backbone interact. energy: -0.594
local terms energy: -610.844117
where:
bonds (distance) C4'-P energy: -127.159
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -129.330
flat angles P-C4'-P energy: -76.307
tors. eta vs tors. theta energy: -176.380
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: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1916.347397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.347397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.429774 (E_RNA)
where:
Base-Base interactions energy: -1368.102
where: short stacking energy: -545.501
Base-Backbone interact. energy: -4.633
local terms energy: -576.694211
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -117.335
flat angles C4'-P-C4' energy: -127.224
flat angles P-C4'-P energy: -75.960
tors. eta vs tors. theta energy: -164.382
Dist. restrs. and SS energy: 33.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2767.791036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.791036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.243884 (E_RNA)
where:
Base-Base interactions energy: -1977.818
where: short stacking energy: -804.908
Base-Backbone interact. energy: -2.622
local terms energy: -797.803848
where:
bonds (distance) C4'-P energy: -137.208
bonds (distance) P-C4' energy: -123.657
flat angles C4'-P-C4' energy: -174.095
flat angles P-C4'-P energy: -113.192
tors. eta vs tors. theta energy: -249.652
Dist. restrs. and SS energy: 10.453 (S_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: 160
Temperature: 0.950000
Total energy: -2676.272974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.272974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.119666 (E_RNA)
where:
Base-Base interactions energy: -1876.938
where: short stacking energy: -772.964
Base-Backbone interact. energy: -0.628
local terms energy: -804.553237
where:
bonds (distance) C4'-P energy: -137.777
bonds (distance) P-C4' energy: -149.957
flat angles C4'-P-C4' energy: -160.966
flat angles P-C4'-P energy: -121.009
tors. eta vs tors. theta energy: -234.845
Dist. restrs. and SS energy: 5.847 (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: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2617.527320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.527320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.707862 (E_RNA)
where:
Base-Base interactions energy: -1851.842
where: short stacking energy: -730.981
Base-Backbone interact. energy: -3.334
local terms energy: -766.532322
where:
bonds (distance) C4'-P energy: -117.729
bonds (distance) P-C4' energy: -132.617
flat angles C4'-P-C4' energy: -157.114
flat angles P-C4'-P energy: -114.905
tors. eta vs tors. theta energy: -244.167
Dist. restrs. and SS energy: 4.181 (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: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2492.107574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.107574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.975398 (E_RNA)
where:
Base-Base interactions energy: -1758.517
where: short stacking energy: -718.188
Base-Backbone interact. energy: -1.617
local terms energy: -738.841542
where:
bonds (distance) C4'-P energy: -122.851
bonds (distance) P-C4' energy: -131.204
flat angles C4'-P-C4' energy: -149.588
flat angles P-C4'-P energy: -108.148
tors. eta vs tors. theta energy: -227.050
Dist. restrs. and SS energy: 6.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2449.824626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.824626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.412144 (E_RNA)
where:
Base-Base interactions energy: -1744.205
where: short stacking energy: -723.056
Base-Backbone interact. energy: -4.350
local terms energy: -716.857854
where:
bonds (distance) C4'-P energy: -116.667
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -151.011
flat angles P-C4'-P energy: -93.237
tors. eta vs tors. theta energy: -231.746
Dist. restrs. and SS energy: 15.588 (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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2373.344028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.344028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.551202 (E_RNA)
where:
Base-Base interactions energy: -1679.623
where: short stacking energy: -665.396
Base-Backbone interact. energy: 0.943
local terms energy: -703.871978
where:
bonds (distance) C4'-P energy: -127.048
bonds (distance) P-C4' energy: -123.618
flat angles C4'-P-C4' energy: -146.763
flat angles P-C4'-P energy: -98.375
tors. eta vs tors. theta energy: -208.068
Dist. restrs. and SS energy: 9.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2333.257581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.257581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.163724 (E_RNA)
where:
Base-Base interactions energy: -1658.184
where: short stacking energy: -667.108
Base-Backbone interact. energy: 5.933
local terms energy: -691.912463
where:
bonds (distance) C4'-P energy: -129.346
bonds (distance) P-C4' energy: -122.370
flat angles C4'-P-C4' energy: -146.618
flat angles P-C4'-P energy: -92.079
tors. eta vs tors. theta energy: -201.500
Dist. restrs. and SS energy: 10.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2188.128479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.128479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.716842 (E_RNA)
where:
Base-Base interactions energy: -1573.508
where: short stacking energy: -618.203
Base-Backbone interact. energy: 0.632
local terms energy: -629.840426
where:
bonds (distance) C4'-P energy: -107.974
bonds (distance) P-C4' energy: -106.913
flat angles C4'-P-C4' energy: -144.021
flat angles P-C4'-P energy: -92.797
tors. eta vs tors. theta energy: -178.136
Dist. restrs. and SS energy: 14.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -2103.197167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.197167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.830158 (E_RNA)
where:
Base-Base interactions energy: -1488.607
where: short stacking energy: -629.873
Base-Backbone interact. energy: 0.248
local terms energy: -635.471254
where:
bonds (distance) C4'-P energy: -100.992
bonds (distance) P-C4' energy: -120.690
flat angles C4'-P-C4' energy: -140.352
flat angles P-C4'-P energy: -96.628
tors. eta vs tors. theta energy: -176.809
Dist. restrs. and SS energy: 20.633 (S_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: 160
Temperature: 1.350000
Total energy: -1942.820198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.820198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.855461 (E_RNA)
where:
Base-Base interactions energy: -1439.498
where: short stacking energy: -573.061
Base-Backbone interact. energy: -1.461
local terms energy: -520.896083
where:
bonds (distance) C4'-P energy: -99.590
bonds (distance) P-C4' energy: -92.485
flat angles C4'-P-C4' energy: -115.881
flat angles P-C4'-P energy: -53.860
tors. eta vs tors. theta energy: -159.079
Dist. restrs. and SS energy: 19.035 (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: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2740.265630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.265630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.543869 (E_RNA)
where:
Base-Base interactions energy: -1968.780
where: short stacking energy: -829.215
Base-Backbone interact. energy: -1.542
local terms energy: -780.222838
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -121.019
flat angles C4'-P-C4' energy: -170.713
flat angles P-C4'-P energy: -109.216
tors. eta vs tors. theta energy: -246.577
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2681.323106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.089269 (E_RNA)
where:
Base-Base interactions energy: -1916.396
where: short stacking energy: -767.449
Base-Backbone interact. energy: 0.755
local terms energy: -768.448103
where:
bonds (distance) C4'-P energy: -127.276
bonds (distance) P-C4' energy: -133.260
flat angles C4'-P-C4' energy: -161.800
flat angles P-C4'-P energy: -107.279
tors. eta vs tors. theta energy: -238.832
Dist. restrs. and SS energy: 2.766 (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: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2602.712231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.712231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.897529 (E_RNA)
where:
Base-Base interactions energy: -1833.828
where: short stacking energy: -778.592
Base-Backbone interact. energy: -1.839
local terms energy: -769.229952
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -121.541
flat angles C4'-P-C4' energy: -164.149
flat angles P-C4'-P energy: -100.288
tors. eta vs tors. theta energy: -245.546
Dist. restrs. and SS energy: 2.185 (S_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: 161
Temperature: 1.050000
Total energy: -2517.055024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.055024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.679054 (E_RNA)
where:
Base-Base interactions energy: -1774.412
where: short stacking energy: -717.838
Base-Backbone interact. energy: -4.104
local terms energy: -753.162449
where:
bonds (distance) C4'-P energy: -134.271
bonds (distance) P-C4' energy: -129.488
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -106.524
tors. eta vs tors. theta energy: -231.339
Dist. restrs. and SS energy: 14.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2482.670668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.670668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.960956 (E_RNA)
where:
Base-Base interactions energy: -1782.136
where: short stacking energy: -714.069
Base-Backbone interact. energy: -1.777
local terms energy: -707.047551
where:
bonds (distance) C4'-P energy: -119.389
bonds (distance) P-C4' energy: -124.110
flat angles C4'-P-C4' energy: -150.490
flat angles P-C4'-P energy: -98.494
tors. eta vs tors. theta energy: -214.565
Dist. restrs. and SS energy: 8.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2419.553055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.553055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.994517 (E_RNA)
where:
Base-Base interactions energy: -1721.075
where: short stacking energy: -698.583
Base-Backbone interact. energy: -1.592
local terms energy: -706.328314
where:
bonds (distance) C4'-P energy: -116.436
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -133.678
flat angles P-C4'-P energy: -105.129
tors. eta vs tors. theta energy: -222.258
Dist. restrs. and SS energy: 9.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2302.295435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.295435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.060072 (E_RNA)
where:
Base-Base interactions energy: -1646.820
where: short stacking energy: -655.039
Base-Backbone interact. energy: -1.802
local terms energy: -664.437414
where:
bonds (distance) C4'-P energy: -109.851
bonds (distance) P-C4' energy: -105.668
flat angles C4'-P-C4' energy: -145.454
flat angles P-C4'-P energy: -100.699
tors. eta vs tors. theta energy: -202.766
Dist. restrs. and SS energy: 10.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2168.781770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.781770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.453219 (E_RNA)
where:
Base-Base interactions energy: -1543.433
where: short stacking energy: -638.256
Base-Backbone interact. energy: 1.062
local terms energy: -639.081795
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -115.601
flat angles C4'-P-C4' energy: -131.774
flat angles P-C4'-P energy: -80.049
tors. eta vs tors. theta energy: -193.018
Dist. restrs. and SS energy: 12.671 (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: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -2101.398495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.398495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.189052 (E_RNA)
where:
Base-Base interactions energy: -1502.182
where: short stacking energy: -604.487
Base-Backbone interact. energy: -2.022
local terms energy: -615.985267
where:
bonds (distance) C4'-P energy: -108.955
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -125.830
flat angles P-C4'-P energy: -91.753
tors. eta vs tors. theta energy: -186.187
Dist. restrs. and SS energy: 18.791 (S_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: 161
Temperature: 1.350000
Total energy: -1972.774279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.597399 (E_RNA)
where:
Base-Base interactions energy: -1426.939
where: short stacking energy: -575.150
Base-Backbone interact. energy: -3.034
local terms energy: -561.624473
where:
bonds (distance) C4'-P energy: -103.508
bonds (distance) P-C4' energy: -105.668
flat angles C4'-P-C4' energy: -121.322
flat angles P-C4'-P energy: -76.437
tors. eta vs tors. theta energy: -154.688
Dist. restrs. and SS energy: 18.823 (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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2717.389710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.389710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.174317 (E_RNA)
where:
Base-Base interactions energy: -1921.109
where: short stacking energy: -768.854
Base-Backbone interact. energy: -0.536
local terms energy: -799.529085
where:
bonds (distance) C4'-P energy: -143.329
bonds (distance) P-C4' energy: -144.808
flat angles C4'-P-C4' energy: -163.018
flat angles P-C4'-P energy: -112.360
tors. eta vs tors. theta energy: -236.014
Dist. restrs. and SS energy: 3.785 (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: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2687.544991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.544991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.857889 (E_RNA)
where:
Base-Base interactions energy: -1920.041
where: short stacking energy: -779.817
Base-Backbone interact. energy: 5.358
local terms energy: -785.175339
where:
bonds (distance) C4'-P energy: -138.088
bonds (distance) P-C4' energy: -133.257
flat angles C4'-P-C4' energy: -164.999
flat angles P-C4'-P energy: -109.606
tors. eta vs tors. theta energy: -239.225
Dist. restrs. and SS energy: 12.313 (S_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: 162
Temperature: 1.000000
Total energy: -2595.216690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.216690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.958378 (E_RNA)
where:
Base-Base interactions energy: -1845.631
where: short stacking energy: -766.825
Base-Backbone interact. energy: -2.999
local terms energy: -759.328336
where:
bonds (distance) C4'-P energy: -120.717
bonds (distance) P-C4' energy: -132.712
flat angles C4'-P-C4' energy: -157.240
flat angles P-C4'-P energy: -124.205
tors. eta vs tors. theta energy: -224.453
Dist. restrs. and SS energy: 12.742 (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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2557.363378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.363378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.163370 (E_RNA)
where:
Base-Base interactions energy: -1790.242
where: short stacking energy: -741.755
Base-Backbone interact. energy: -3.355
local terms energy: -767.566204
where:
bonds (distance) C4'-P energy: -113.941
bonds (distance) P-C4' energy: -136.976
flat angles C4'-P-C4' energy: -172.389
flat angles P-C4'-P energy: -113.156
tors. eta vs tors. theta energy: -231.103
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: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2510.129805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.129805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.413584 (E_RNA)
where:
Base-Base interactions energy: -1794.587
where: short stacking energy: -733.600
Base-Backbone interact. energy: 3.745
local terms energy: -729.572332
where:
bonds (distance) C4'-P energy: -116.336
bonds (distance) P-C4' energy: -117.918
flat angles C4'-P-C4' energy: -161.557
flat angles P-C4'-P energy: -106.902
tors. eta vs tors. theta energy: -226.859
Dist. restrs. and SS energy: 10.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2435.078760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.078760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.854626 (E_RNA)
where:
Base-Base interactions energy: -1742.962
where: short stacking energy: -702.926
Base-Backbone interact. energy: -2.826
local terms energy: -699.066831
where:
bonds (distance) C4'-P energy: -126.808
bonds (distance) P-C4' energy: -123.128
flat angles C4'-P-C4' energy: -143.312
flat angles P-C4'-P energy: -102.123
tors. eta vs tors. theta energy: -203.696
Dist. restrs. and SS energy: 9.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2306.644487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.644487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.731259 (E_RNA)
where:
Base-Base interactions energy: -1630.123
where: short stacking energy: -638.485
Base-Backbone interact. energy: -2.460
local terms energy: -681.148720
where:
bonds (distance) C4'-P energy: -113.077
bonds (distance) P-C4' energy: -101.115
flat angles C4'-P-C4' energy: -143.180
flat angles P-C4'-P energy: -104.154
tors. eta vs tors. theta energy: -219.622
Dist. restrs. and SS energy: 7.087 (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: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2159.849758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.849758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.941349 (E_RNA)
where:
Base-Base interactions energy: -1568.260
where: short stacking energy: -632.129
Base-Backbone interact. energy: 0.438
local terms energy: -612.119862
where:
bonds (distance) C4'-P energy: -100.205
bonds (distance) P-C4' energy: -119.366
flat angles C4'-P-C4' energy: -126.666
flat angles P-C4'-P energy: -71.680
tors. eta vs tors. theta energy: -194.203
Dist. restrs. and SS energy: 20.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -2039.935764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.935764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.340360 (E_RNA)
where:
Base-Base interactions energy: -1469.678
where: short stacking energy: -591.921
Base-Backbone interact. energy: -0.437
local terms energy: -580.225118
where:
bonds (distance) C4'-P energy: -106.888
bonds (distance) P-C4' energy: -118.622
flat angles C4'-P-C4' energy: -131.154
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -174.083
Dist. restrs. and SS energy: 10.405 (S_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: 162
Temperature: 1.350000
Total energy: -2011.189797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.189797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.366316 (E_RNA)
where:
Base-Base interactions energy: -1428.809
where: short stacking energy: -580.543
Base-Backbone interact. energy: -0.947
local terms energy: -598.610317
where:
bonds (distance) C4'-P energy: -100.673
bonds (distance) P-C4' energy: -115.280
flat angles C4'-P-C4' energy: -130.453
flat angles P-C4'-P energy: -82.326
tors. eta vs tors. theta energy: -169.880
Dist. restrs. and SS energy: 17.177 (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: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2751.799950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.799950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.782983 (E_RNA)
where:
Base-Base interactions energy: -1952.754
where: short stacking energy: -805.086
Base-Backbone interact. energy: 0.518
local terms energy: -803.547256
where:
bonds (distance) C4'-P energy: -144.152
bonds (distance) P-C4' energy: -134.632
flat angles C4'-P-C4' energy: -165.788
flat angles P-C4'-P energy: -112.160
tors. eta vs tors. theta energy: -246.815
Dist. restrs. and SS energy: 3.983 (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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2651.935075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.935075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.590898 (E_RNA)
where:
Base-Base interactions energy: -1874.023
where: short stacking energy: -804.644
Base-Backbone interact. energy: -3.907
local terms energy: -785.661545
where:
bonds (distance) C4'-P energy: -124.987
bonds (distance) P-C4' energy: -133.521
flat angles C4'-P-C4' energy: -164.199
flat angles P-C4'-P energy: -113.946
tors. eta vs tors. theta energy: -249.007
Dist. restrs. and SS energy: 11.656 (S_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: 163
Temperature: 1.000000
Total energy: -2592.457573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.457573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.426245 (E_RNA)
where:
Base-Base interactions energy: -1860.238
where: short stacking energy: -763.783
Base-Backbone interact. energy: -1.447
local terms energy: -741.741053
where:
bonds (distance) C4'-P energy: -125.861
bonds (distance) P-C4' energy: -123.035
flat angles C4'-P-C4' energy: -150.493
flat angles P-C4'-P energy: -98.866
tors. eta vs tors. theta energy: -243.487
Dist. restrs. and SS energy: 10.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2546.084012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.084012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.432702 (E_RNA)
where:
Base-Base interactions energy: -1809.113
where: short stacking energy: -759.870
Base-Backbone interact. energy: -2.078
local terms energy: -743.242323
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -119.825
flat angles C4'-P-C4' energy: -145.498
flat angles P-C4'-P energy: -105.971
tors. eta vs tors. theta energy: -235.753
Dist. restrs. and SS energy: 8.349 (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: 163
Temperature: 1.100000
Total energy: -2470.594147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.594147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.255890 (E_RNA)
where:
Base-Base interactions energy: -1730.650
where: short stacking energy: -709.556
Base-Backbone interact. energy: -2.493
local terms energy: -754.112993
where:
bonds (distance) C4'-P energy: -127.290
bonds (distance) P-C4' energy: -142.898
flat angles C4'-P-C4' energy: -154.455
flat angles P-C4'-P energy: -110.285
tors. eta vs tors. theta energy: -219.185
Dist. restrs. and SS energy: 16.662 (S_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: 163
Temperature: 1.150000
Total energy: -2377.893052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.893052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.581704 (E_RNA)
where:
Base-Base interactions energy: -1683.575
where: short stacking energy: -670.818
Base-Backbone interact. energy: -3.172
local terms energy: -698.834325
where:
bonds (distance) C4'-P energy: -126.056
bonds (distance) P-C4' energy: -120.633
flat angles C4'-P-C4' energy: -147.489
flat angles P-C4'-P energy: -90.024
tors. eta vs tors. theta energy: -214.633
Dist. restrs. and SS energy: 7.689 (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: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2283.031066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.031066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.776165 (E_RNA)
where:
Base-Base interactions energy: -1620.524
where: short stacking energy: -661.846
Base-Backbone interact. energy: -2.895
local terms energy: -669.357512
where:
bonds (distance) C4'-P energy: -100.164
bonds (distance) P-C4' energy: -121.551
flat angles C4'-P-C4' energy: -141.576
flat angles P-C4'-P energy: -103.866
tors. eta vs tors. theta energy: -202.200
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2181.261358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.261358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.939484 (E_RNA)
where:
Base-Base interactions energy: -1567.273
where: short stacking energy: -628.363
Base-Backbone interact. energy: -0.521
local terms energy: -627.145214
where:
bonds (distance) C4'-P energy: -111.708
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -134.938
flat angles P-C4'-P energy: -83.360
tors. eta vs tors. theta energy: -193.208
Dist. restrs. and SS energy: 13.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2077.439734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.439734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.828566 (E_RNA)
where:
Base-Base interactions energy: -1495.392
where: short stacking energy: -602.701
Base-Backbone interact. energy: 2.558
local terms energy: -596.994433
where:
bonds (distance) C4'-P energy: -109.535
bonds (distance) P-C4' energy: -91.154
flat angles C4'-P-C4' energy: -140.256
flat angles P-C4'-P energy: -80.520
tors. eta vs tors. theta energy: -175.528
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: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1981.515689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.515689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.217140 (E_RNA)
where:
Base-Base interactions energy: -1400.693
where: short stacking energy: -565.088
Base-Backbone interact. energy: 1.037
local terms energy: -594.561412
where:
bonds (distance) C4'-P energy: -117.663
bonds (distance) P-C4' energy: -93.410
flat angles C4'-P-C4' energy: -131.831
flat angles P-C4'-P energy: -78.221
tors. eta vs tors. theta energy: -173.437
Dist. restrs. and SS energy: 12.701 (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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2774.585279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.585279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.368494 (E_RNA)
where:
Base-Base interactions energy: -1942.036
where: short stacking energy: -797.463
Base-Backbone interact. energy: -3.997
local terms energy: -835.335616
where:
bonds (distance) C4'-P energy: -148.860
bonds (distance) P-C4' energy: -157.570
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -118.164
tors. eta vs tors. theta energy: -248.663
Dist. restrs. and SS energy: 6.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2651.269155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.269155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.504102 (E_RNA)
where:
Base-Base interactions energy: -1893.067
where: short stacking energy: -783.839
Base-Backbone interact. energy: -1.612
local terms energy: -770.825786
where:
bonds (distance) C4'-P energy: -145.626
bonds (distance) P-C4' energy: -134.961
flat angles C4'-P-C4' energy: -154.918
flat angles P-C4'-P energy: -97.261
tors. eta vs tors. theta energy: -238.061
Dist. restrs. and SS energy: 14.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2621.839203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.839203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.644424 (E_RNA)
where:
Base-Base interactions energy: -1842.382
where: short stacking energy: -741.678
Base-Backbone interact. energy: 4.246
local terms energy: -795.508541
where:
bonds (distance) C4'-P energy: -143.388
bonds (distance) P-C4' energy: -149.196
flat angles C4'-P-C4' energy: -162.297
flat angles P-C4'-P energy: -106.574
tors. eta vs tors. theta energy: -234.054
Dist. restrs. and SS energy: 11.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2561.246823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.246823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.964233 (E_RNA)
where:
Base-Base interactions energy: -1820.889
where: short stacking energy: -752.805
Base-Backbone interact. energy: -2.789
local terms energy: -742.286277
where:
bonds (distance) C4'-P energy: -141.523
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -143.883
flat angles P-C4'-P energy: -106.923
tors. eta vs tors. theta energy: -229.613
Dist. restrs. and SS energy: 4.717 (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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2481.507686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.507686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.909028 (E_RNA)
where:
Base-Base interactions energy: -1757.133
where: short stacking energy: -715.516
Base-Backbone interact. energy: -3.011
local terms energy: -736.764593
where:
bonds (distance) C4'-P energy: -118.682
bonds (distance) P-C4' energy: -129.816
flat angles C4'-P-C4' energy: -155.473
flat angles P-C4'-P energy: -103.593
tors. eta vs tors. theta energy: -229.201
Dist. restrs. and SS energy: 15.401 (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: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2398.849052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.849052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.016318 (E_RNA)
where:
Base-Base interactions energy: -1748.583
where: short stacking energy: -696.213
Base-Backbone interact. energy: 0.371
local terms energy: -660.804384
where:
bonds (distance) C4'-P energy: -114.904
bonds (distance) P-C4' energy: -98.411
flat angles C4'-P-C4' energy: -137.899
flat angles P-C4'-P energy: -96.725
tors. eta vs tors. theta energy: -212.865
Dist. restrs. and SS energy: 10.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2301.163444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.163444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.529521 (E_RNA)
where:
Base-Base interactions energy: -1621.703
where: short stacking energy: -660.220
Base-Backbone interact. energy: -1.303
local terms energy: -690.523444
where:
bonds (distance) C4'-P energy: -125.877
bonds (distance) P-C4' energy: -113.759
flat angles C4'-P-C4' energy: -153.175
flat angles P-C4'-P energy: -101.425
tors. eta vs tors. theta energy: -196.288
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2171.926256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.926256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.047835 (E_RNA)
where:
Base-Base interactions energy: -1547.704
where: short stacking energy: -622.080
Base-Backbone interact. energy: 0.258
local terms energy: -642.601990
where:
bonds (distance) C4'-P energy: -105.464
bonds (distance) P-C4' energy: -107.101
flat angles C4'-P-C4' energy: -142.071
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -185.157
Dist. restrs. and SS energy: 18.122 (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: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -2084.490300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.490300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.185908 (E_RNA)
where:
Base-Base interactions energy: -1472.195
where: short stacking energy: -598.416
Base-Backbone interact. energy: -1.881
local terms energy: -623.110165
where:
bonds (distance) C4'-P energy: -104.184
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -91.125
tors. eta vs tors. theta energy: -193.300
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: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1996.945072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.945072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.722707 (E_RNA)
where:
Base-Base interactions energy: -1411.506
where: short stacking energy: -573.210
Base-Backbone interact. energy: 0.357
local terms energy: -609.574104
where:
bonds (distance) C4'-P energy: -106.303
bonds (distance) P-C4' energy: -108.209
flat angles C4'-P-C4' energy: -128.108
flat angles P-C4'-P energy: -78.667
tors. eta vs tors. theta energy: -188.287
Dist. restrs. and SS energy: 23.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2761.920716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.920716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.965347 (E_RNA)
where:
Base-Base interactions energy: -1968.636
where: short stacking energy: -796.831
Base-Backbone interact. energy: -1.798
local terms energy: -799.530741
where:
bonds (distance) C4'-P energy: -144.696
bonds (distance) P-C4' energy: -139.244
flat angles C4'-P-C4' energy: -163.061
flat angles P-C4'-P energy: -114.554
tors. eta vs tors. theta energy: -237.976
Dist. restrs. and SS energy: 8.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2658.205455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.205455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.985562 (E_RNA)
where:
Base-Base interactions energy: -1883.048
where: short stacking energy: -791.079
Base-Backbone interact. energy: -2.903
local terms energy: -785.034820
where:
bonds (distance) C4'-P energy: -128.209
bonds (distance) P-C4' energy: -137.562
flat angles C4'-P-C4' energy: -172.335
flat angles P-C4'-P energy: -107.409
tors. eta vs tors. theta energy: -239.520
Dist. restrs. and SS energy: 12.780 (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: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2616.872570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.872570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.553110 (E_RNA)
where:
Base-Base interactions energy: -1859.749
where: short stacking energy: -749.424
Base-Backbone interact. energy: -1.788
local terms energy: -770.016277
where:
bonds (distance) C4'-P energy: -127.890
bonds (distance) P-C4' energy: -128.899
flat angles C4'-P-C4' energy: -165.626
flat angles P-C4'-P energy: -102.350
tors. eta vs tors. theta energy: -245.251
Dist. restrs. and SS energy: 14.681 (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: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2536.044085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.044085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.475434 (E_RNA)
where:
Base-Base interactions energy: -1781.824
where: short stacking energy: -752.332
Base-Backbone interact. energy: -1.407
local terms energy: -757.244300
where:
bonds (distance) C4'-P energy: -141.548
bonds (distance) P-C4' energy: -132.673
flat angles C4'-P-C4' energy: -154.451
flat angles P-C4'-P energy: -105.109
tors. eta vs tors. theta energy: -223.463
Dist. restrs. and SS energy: 4.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2496.040233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.040233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.580065 (E_RNA)
where:
Base-Base interactions energy: -1765.743
where: short stacking energy: -716.713
Base-Backbone interact. energy: -2.349
local terms energy: -738.488159
where:
bonds (distance) C4'-P energy: -131.608
bonds (distance) P-C4' energy: -109.038
flat angles C4'-P-C4' energy: -160.586
flat angles P-C4'-P energy: -113.074
tors. eta vs tors. theta energy: -224.182
Dist. restrs. and SS energy: 10.540 (S_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: 165
Temperature: 1.150000
Total energy: -2391.252273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.252273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.593656 (E_RNA)
where:
Base-Base interactions energy: -1695.886
where: short stacking energy: -687.821
Base-Backbone interact. energy: -0.213
local terms energy: -704.494613
where:
bonds (distance) C4'-P energy: -105.189
bonds (distance) P-C4' energy: -138.994
flat angles C4'-P-C4' energy: -143.330
flat angles P-C4'-P energy: -110.531
tors. eta vs tors. theta energy: -206.451
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: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2356.401513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.401513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.324636 (E_RNA)
where:
Base-Base interactions energy: -1681.250
where: short stacking energy: -677.635
Base-Backbone interact. energy: -1.271
local terms energy: -683.803569
where:
bonds (distance) C4'-P energy: -117.197
bonds (distance) P-C4' energy: -104.256
flat angles C4'-P-C4' energy: -149.877
flat angles P-C4'-P energy: -106.665
tors. eta vs tors. theta energy: -205.808
Dist. restrs. and SS energy: 9.923 (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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2144.214820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.214820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.102572 (E_RNA)
where:
Base-Base interactions energy: -1525.252
where: short stacking energy: -618.063
Base-Backbone interact. energy: -0.718
local terms energy: -636.132527
where:
bonds (distance) C4'-P energy: -98.294
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -77.406
tors. eta vs tors. theta energy: -178.586
Dist. restrs. and SS energy: 17.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -2084.574773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.574773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.043644 (E_RNA)
where:
Base-Base interactions energy: -1482.995
where: short stacking energy: -582.362
Base-Backbone interact. energy: -2.164
local terms energy: -613.884159
where:
bonds (distance) C4'-P energy: -86.610
bonds (distance) P-C4' energy: -112.586
flat angles C4'-P-C4' energy: -140.696
flat angles P-C4'-P energy: -79.909
tors. eta vs tors. theta energy: -194.082
Dist. restrs. and SS energy: 14.469 (S_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: 165
Temperature: 1.350000
Total energy: -1967.508529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.508529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.288496 (E_RNA)
where:
Base-Base interactions energy: -1399.273
where: short stacking energy: -555.533
Base-Backbone interact. energy: 0.653
local terms energy: -596.668016
where:
bonds (distance) C4'-P energy: -99.421
bonds (distance) P-C4' energy: -118.971
flat angles C4'-P-C4' energy: -126.814
flat angles P-C4'-P energy: -77.197
tors. eta vs tors. theta energy: -174.264
Dist. restrs. and SS energy: 27.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2746.722124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.722124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.429492 (E_RNA)
where:
Base-Base interactions energy: -1904.880
where: short stacking energy: -769.856
Base-Backbone interact. energy: -2.842
local terms energy: -841.706753
where:
bonds (distance) C4'-P energy: -148.734
bonds (distance) P-C4' energy: -151.893
flat angles C4'-P-C4' energy: -170.018
flat angles P-C4'-P energy: -122.202
tors. eta vs tors. theta energy: -248.861
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2670.226684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.226684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.772838 (E_RNA)
where:
Base-Base interactions energy: -1893.349
where: short stacking energy: -757.388
Base-Backbone interact. energy: -3.223
local terms energy: -787.200734
where:
bonds (distance) C4'-P energy: -141.304
bonds (distance) P-C4' energy: -134.509
flat angles C4'-P-C4' energy: -165.149
flat angles P-C4'-P energy: -106.709
tors. eta vs tors. theta energy: -239.530
Dist. restrs. and SS energy: 13.546 (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: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2615.281452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.281452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.810775 (E_RNA)
where:
Base-Base interactions energy: -1867.569
where: short stacking energy: -757.139
Base-Backbone interact. energy: -5.337
local terms energy: -753.905362
where:
bonds (distance) C4'-P energy: -129.824
bonds (distance) P-C4' energy: -133.948
flat angles C4'-P-C4' energy: -152.212
flat angles P-C4'-P energy: -104.712
tors. eta vs tors. theta energy: -233.208
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: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2558.992138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.992138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.042119 (E_RNA)
where:
Base-Base interactions energy: -1817.120
where: short stacking energy: -720.231
Base-Backbone interact. energy: -0.088
local terms energy: -744.834814
where:
bonds (distance) C4'-P energy: -125.921
bonds (distance) P-C4' energy: -135.028
flat angles C4'-P-C4' energy: -158.123
flat angles P-C4'-P energy: -108.998
tors. eta vs tors. theta energy: -216.765
Dist. restrs. and SS energy: 3.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2482.059176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.059176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.312775 (E_RNA)
where:
Base-Base interactions energy: -1748.193
where: short stacking energy: -713.474
Base-Backbone interact. energy: -1.130
local terms energy: -741.989398
where:
bonds (distance) C4'-P energy: -121.282
bonds (distance) P-C4' energy: -138.620
flat angles C4'-P-C4' energy: -151.931
flat angles P-C4'-P energy: -105.777
tors. eta vs tors. theta energy: -224.379
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: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2380.105767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.105767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.900280 (E_RNA)
where:
Base-Base interactions energy: -1709.390
where: short stacking energy: -682.083
Base-Backbone interact. energy: -2.719
local terms energy: -677.791369
where:
bonds (distance) C4'-P energy: -105.246
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -167.080
flat angles P-C4'-P energy: -85.402
tors. eta vs tors. theta energy: -211.267
Dist. restrs. and SS energy: 9.795 (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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2310.112884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.112884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.794943 (E_RNA)
where:
Base-Base interactions energy: -1674.885
where: short stacking energy: -671.104
Base-Backbone interact. energy: 0.047
local terms energy: -645.957582
where:
bonds (distance) C4'-P energy: -90.848
bonds (distance) P-C4' energy: -116.335
flat angles C4'-P-C4' energy: -133.359
flat angles P-C4'-P energy: -95.706
tors. eta vs tors. theta energy: -209.709
Dist. restrs. and SS energy: 10.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2126.270824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.502494 (E_RNA)
where:
Base-Base interactions energy: -1537.362
where: short stacking energy: -614.606
Base-Backbone interact. energy: -3.189
local terms energy: -599.951263
where:
bonds (distance) C4'-P energy: -96.137
bonds (distance) P-C4' energy: -128.902
flat angles C4'-P-C4' energy: -123.445
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -167.366
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -2135.214498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.214498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.013653 (E_RNA)
where:
Base-Base interactions energy: -1528.722
where: short stacking energy: -602.806
Base-Backbone interact. energy: 1.083
local terms energy: -616.374504
where:
bonds (distance) C4'-P energy: -101.968
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -185.044
Dist. restrs. and SS energy: 8.799 (S_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: 166
Temperature: 1.350000
Total energy: -2035.669382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.669382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.296818 (E_RNA)
where:
Base-Base interactions energy: -1443.280
where: short stacking energy: -583.710
Base-Backbone interact. energy: -1.645
local terms energy: -609.371429
where:
bonds (distance) C4'-P energy: -111.911
bonds (distance) P-C4' energy: -104.292
flat angles C4'-P-C4' energy: -127.528
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -175.009
Dist. restrs. and SS energy: 18.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2733.626933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.626933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.822689 (E_RNA)
where:
Base-Base interactions energy: -1936.744
where: short stacking energy: -784.320
Base-Backbone interact. energy: -2.207
local terms energy: -801.871247
where:
bonds (distance) C4'-P energy: -132.497
bonds (distance) P-C4' energy: -147.926
flat angles C4'-P-C4' energy: -165.945
flat angles P-C4'-P energy: -115.771
tors. eta vs tors. theta energy: -239.731
Dist. restrs. and SS energy: 7.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2670.002953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.002953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.964278 (E_RNA)
where:
Base-Base interactions energy: -1906.008
where: short stacking energy: -783.484
Base-Backbone interact. energy: 0.033
local terms energy: -774.989069
where:
bonds (distance) C4'-P energy: -136.599
bonds (distance) P-C4' energy: -136.181
flat angles C4'-P-C4' energy: -154.420
flat angles P-C4'-P energy: -105.383
tors. eta vs tors. theta energy: -242.405
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: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2607.442110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.252045 (E_RNA)
where:
Base-Base interactions energy: -1833.951
where: short stacking energy: -768.515
Base-Backbone interact. energy: -1.625
local terms energy: -784.676405
where:
bonds (distance) C4'-P energy: -131.300
bonds (distance) P-C4' energy: -137.796
flat angles C4'-P-C4' energy: -172.396
flat angles P-C4'-P energy: -110.919
tors. eta vs tors. theta energy: -232.265
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: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2570.554690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.554690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.707660 (E_RNA)
where:
Base-Base interactions energy: -1812.862
where: short stacking energy: -737.130
Base-Backbone interact. energy: -1.923
local terms energy: -765.922051
where:
bonds (distance) C4'-P energy: -133.730
bonds (distance) P-C4' energy: -132.491
flat angles C4'-P-C4' energy: -163.718
flat angles P-C4'-P energy: -101.731
tors. eta vs tors. theta energy: -234.252
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: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2480.844477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.844477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.663623 (E_RNA)
where:
Base-Base interactions energy: -1745.934
where: short stacking energy: -709.745
Base-Backbone interact. energy: -0.749
local terms energy: -737.981273
where:
bonds (distance) C4'-P energy: -130.523
bonds (distance) P-C4' energy: -131.747
flat angles C4'-P-C4' energy: -157.380
flat angles P-C4'-P energy: -103.704
tors. eta vs tors. theta energy: -214.627
Dist. restrs. and SS energy: 3.819 (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: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2453.211002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.211002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.814226 (E_RNA)
where:
Base-Base interactions energy: -1755.129
where: short stacking energy: -700.639
Base-Backbone interact. energy: 0.924
local terms energy: -708.608874
where:
bonds (distance) C4'-P energy: -113.651
bonds (distance) P-C4' energy: -130.845
flat angles C4'-P-C4' energy: -147.287
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -220.901
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2282.279427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.279427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.272118 (E_RNA)
where:
Base-Base interactions energy: -1629.695
where: short stacking energy: -629.030
Base-Backbone interact. energy: -1.173
local terms energy: -662.404387
where:
bonds (distance) C4'-P energy: -124.878
bonds (distance) P-C4' energy: -120.799
flat angles C4'-P-C4' energy: -133.905
flat angles P-C4'-P energy: -87.087
tors. eta vs tors. theta energy: -195.735
Dist. restrs. and SS energy: 10.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2161.256736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.256736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.371676 (E_RNA)
where:
Base-Base interactions energy: -1543.532
where: short stacking energy: -606.256
Base-Backbone interact. energy: -0.269
local terms energy: -626.570658
where:
bonds (distance) C4'-P energy: -116.580
bonds (distance) P-C4' energy: -115.700
flat angles C4'-P-C4' energy: -113.188
flat angles P-C4'-P energy: -81.813
tors. eta vs tors. theta energy: -199.290
Dist. restrs. and SS energy: 9.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -2091.654748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.654748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.063016 (E_RNA)
where:
Base-Base interactions energy: -1532.606
where: short stacking energy: -585.533
Base-Backbone interact. energy: 0.990
local terms energy: -581.447013
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -108.375
flat angles C4'-P-C4' energy: -125.017
flat angles P-C4'-P energy: -66.282
tors. eta vs tors. theta energy: -175.613
Dist. restrs. and SS energy: 21.408 (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: 167
Temperature: 1.350000
Total energy: -1995.527199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.527199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.175002 (E_RNA)
where:
Base-Base interactions energy: -1418.729
where: short stacking energy: -584.247
Base-Backbone interact. energy: -3.877
local terms energy: -593.568764
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -121.539
flat angles P-C4'-P energy: -82.454
tors. eta vs tors. theta energy: -172.396
Dist. restrs. and SS energy: 20.648 (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: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2727.307062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.307062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.928644 (E_RNA)
where:
Base-Base interactions energy: -1916.789
where: short stacking energy: -784.379
Base-Backbone interact. energy: -3.397
local terms energy: -816.742495
where:
bonds (distance) C4'-P energy: -137.250
bonds (distance) P-C4' energy: -153.192
flat angles C4'-P-C4' energy: -162.128
flat angles P-C4'-P energy: -117.195
tors. eta vs tors. theta energy: -246.977
Dist. restrs. and SS energy: 9.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2664.231351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.231351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.851890 (E_RNA)
where:
Base-Base interactions energy: -1890.809
where: short stacking energy: -787.142
Base-Backbone interact. energy: -1.113
local terms energy: -784.930109
where:
bonds (distance) C4'-P energy: -130.338
bonds (distance) P-C4' energy: -151.193
flat angles C4'-P-C4' energy: -156.865
flat angles P-C4'-P energy: -99.828
tors. eta vs tors. theta energy: -246.706
Dist. restrs. and SS energy: 12.621 (S_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: 168
Temperature: 1.000000
Total energy: -2618.727773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.727773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.959566 (E_RNA)
where:
Base-Base interactions energy: -1857.871
where: short stacking energy: -751.549
Base-Backbone interact. energy: -1.617
local terms energy: -767.471642
where:
bonds (distance) C4'-P energy: -131.033
bonds (distance) P-C4' energy: -124.315
flat angles C4'-P-C4' energy: -162.281
flat angles P-C4'-P energy: -118.770
tors. eta vs tors. theta energy: -231.073
Dist. restrs. and SS energy: 8.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2543.527174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.527174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.552228 (E_RNA)
where:
Base-Base interactions energy: -1802.056
where: short stacking energy: -725.674
Base-Backbone interact. energy: -0.191
local terms energy: -752.305463
where:
bonds (distance) C4'-P energy: -131.729
bonds (distance) P-C4' energy: -127.633
flat angles C4'-P-C4' energy: -155.008
flat angles P-C4'-P energy: -102.683
tors. eta vs tors. theta energy: -235.253
Dist. restrs. and SS energy: 11.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2508.577381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.577381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.805106 (E_RNA)
where:
Base-Base interactions energy: -1776.334
where: short stacking energy: -728.134
Base-Backbone interact. energy: -2.628
local terms energy: -731.843009
where:
bonds (distance) C4'-P energy: -133.354
bonds (distance) P-C4' energy: -126.689
flat angles C4'-P-C4' energy: -157.236
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -227.247
Dist. restrs. and SS energy: 2.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2393.842680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.842680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.606442 (E_RNA)
where:
Base-Base interactions energy: -1720.175
where: short stacking energy: -690.012
Base-Backbone interact. energy: -1.608
local terms energy: -682.824117
where:
bonds (distance) C4'-P energy: -108.060
bonds (distance) P-C4' energy: -110.169
flat angles C4'-P-C4' energy: -145.807
flat angles P-C4'-P energy: -97.810
tors. eta vs tors. theta energy: -220.978
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2314.827336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.827336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.131020 (E_RNA)
where:
Base-Base interactions energy: -1653.338
where: short stacking energy: -671.370
Base-Backbone interact. energy: 0.607
local terms energy: -671.400035
where:
bonds (distance) C4'-P energy: -103.805
bonds (distance) P-C4' energy: -125.203
flat angles C4'-P-C4' energy: -135.671
flat angles P-C4'-P energy: -96.920
tors. eta vs tors. theta energy: -209.801
Dist. restrs. and SS energy: 9.304 (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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2196.947231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.947231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.730042 (E_RNA)
where:
Base-Base interactions energy: -1563.626
where: short stacking energy: -627.675
Base-Backbone interact. energy: 1.475
local terms energy: -643.578872
where:
bonds (distance) C4'-P energy: -116.774
bonds (distance) P-C4' energy: -102.975
flat angles C4'-P-C4' energy: -140.595
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -210.467
Dist. restrs. and SS energy: 8.783 (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: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -2013.187920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.187920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.448525 (E_RNA)
where:
Base-Base interactions energy: -1411.427
where: short stacking energy: -541.079
Base-Backbone interact. energy: -0.964
local terms energy: -626.057377
where:
bonds (distance) C4'-P energy: -114.763
bonds (distance) P-C4' energy: -135.802
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -96.682
tors. eta vs tors. theta energy: -162.448
Dist. restrs. and SS energy: 25.261 (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: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -2047.516939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.516939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.481175 (E_RNA)
where:
Base-Base interactions energy: -1497.929
where: short stacking energy: -592.241
Base-Backbone interact. energy: -3.624
local terms energy: -576.928035
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -126.645
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -174.400
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: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2770.938427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.938427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.903043 (E_RNA)
where:
Base-Base interactions energy: -1976.911
where: short stacking energy: -828.229
Base-Backbone interact. energy: -3.325
local terms energy: -796.666461
where:
bonds (distance) C4'-P energy: -137.870
bonds (distance) P-C4' energy: -125.461
flat angles C4'-P-C4' energy: -155.709
flat angles P-C4'-P energy: -123.213
tors. eta vs tors. theta energy: -254.412
Dist. restrs. and SS energy: 5.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2683.415216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.415216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.947949 (E_RNA)
where:
Base-Base interactions energy: -1907.279
where: short stacking energy: -798.374
Base-Backbone interact. energy: -0.951
local terms energy: -783.717363
where:
bonds (distance) C4'-P energy: -127.696
bonds (distance) P-C4' energy: -135.376
flat angles C4'-P-C4' energy: -155.183
flat angles P-C4'-P energy: -113.757
tors. eta vs tors. theta energy: -251.704
Dist. restrs. and SS energy: 8.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2595.254610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.254610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.152040 (E_RNA)
where:
Base-Base interactions energy: -1854.681
where: short stacking energy: -768.075
Base-Backbone interact. energy: -1.878
local terms energy: -749.592455
where:
bonds (distance) C4'-P energy: -134.703
bonds (distance) P-C4' energy: -120.913
flat angles C4'-P-C4' energy: -158.127
flat angles P-C4'-P energy: -100.157
tors. eta vs tors. theta energy: -235.692
Dist. restrs. and SS energy: 10.897 (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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2576.634837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.634837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.260013 (E_RNA)
where:
Base-Base interactions energy: -1837.196
where: short stacking energy: -758.108
Base-Backbone interact. energy: -1.989
local terms energy: -749.074793
where:
bonds (distance) C4'-P energy: -128.037
bonds (distance) P-C4' energy: -121.711
flat angles C4'-P-C4' energy: -159.845
flat angles P-C4'-P energy: -109.985
tors. eta vs tors. theta energy: -229.497
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: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2503.519586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.519586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.159248 (E_RNA)
where:
Base-Base interactions energy: -1793.501
where: short stacking energy: -746.843
Base-Backbone interact. energy: 1.227
local terms energy: -713.884951
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -145.909
flat angles C4'-P-C4' energy: -138.386
flat angles P-C4'-P energy: -92.649
tors. eta vs tors. theta energy: -227.173
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2456.797280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.797280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.321059 (E_RNA)
where:
Base-Base interactions energy: -1773.910
where: short stacking energy: -725.726
Base-Backbone interact. energy: 0.304
local terms energy: -693.715280
where:
bonds (distance) C4'-P energy: -124.887
bonds (distance) P-C4' energy: -111.621
flat angles C4'-P-C4' energy: -150.673
flat angles P-C4'-P energy: -87.379
tors. eta vs tors. theta energy: -219.156
Dist. restrs. and SS energy: 10.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2298.203730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.203730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.393094 (E_RNA)
where:
Base-Base interactions energy: -1661.058
where: short stacking energy: -663.435
Base-Backbone interact. energy: -1.088
local terms energy: -644.246954
where:
bonds (distance) C4'-P energy: -112.133
bonds (distance) P-C4' energy: -100.772
flat angles C4'-P-C4' energy: -141.195
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -197.135
Dist. restrs. and SS energy: 8.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -2193.484667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.484667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.508001 (E_RNA)
where:
Base-Base interactions energy: -1570.031
where: short stacking energy: -620.096
Base-Backbone interact. energy: -3.189
local terms energy: -636.287849
where:
bonds (distance) C4'-P energy: -110.288
bonds (distance) P-C4' energy: -91.374
flat angles C4'-P-C4' energy: -141.802
flat angles P-C4'-P energy: -89.442
tors. eta vs tors. theta energy: -203.381
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: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1976.842640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.842640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.958912 (E_RNA)
where:
Base-Base interactions energy: -1403.736
where: short stacking energy: -563.319
Base-Backbone interact. energy: -1.828
local terms energy: -589.395446
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -116.128
flat angles C4'-P-C4' energy: -114.368
flat angles P-C4'-P energy: -67.424
tors. eta vs tors. theta energy: -169.806
Dist. restrs. and SS energy: 18.116 (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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -2017.859843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.859843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.713111 (E_RNA)
where:
Base-Base interactions energy: -1442.088
where: short stacking energy: -570.622
Base-Backbone interact. energy: -1.732
local terms energy: -598.892638
where:
bonds (distance) C4'-P energy: -103.553
bonds (distance) P-C4' energy: -105.914
flat angles C4'-P-C4' energy: -143.972
flat angles P-C4'-P energy: -77.744
tors. eta vs tors. theta energy: -167.711
Dist. restrs. and SS energy: 24.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2738.857894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.857894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.569202 (E_RNA)
where:
Base-Base interactions energy: -1936.713
where: short stacking energy: -783.600
Base-Backbone interact. energy: -2.193
local terms energy: -808.664083
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -143.270
flat angles C4'-P-C4' energy: -161.663
flat angles P-C4'-P energy: -114.659
tors. eta vs tors. theta energy: -248.287
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: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2708.681250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.681250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.830882 (E_RNA)
where:
Base-Base interactions energy: -1911.648
where: short stacking energy: -795.713
Base-Backbone interact. energy: -2.704
local terms energy: -801.478923
where:
bonds (distance) C4'-P energy: -125.960
bonds (distance) P-C4' energy: -144.305
flat angles C4'-P-C4' energy: -172.813
flat angles P-C4'-P energy: -115.268
tors. eta vs tors. theta energy: -243.133
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: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2645.035062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.035062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.287481 (E_RNA)
where:
Base-Base interactions energy: -1864.717
where: short stacking energy: -741.848
Base-Backbone interact. energy: -1.019
local terms energy: -790.551328
where:
bonds (distance) C4'-P energy: -133.168
bonds (distance) P-C4' energy: -138.284
flat angles C4'-P-C4' energy: -166.600
flat angles P-C4'-P energy: -113.003
tors. eta vs tors. theta energy: -239.496
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2546.397917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.397917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.018534 (E_RNA)
where:
Base-Base interactions energy: -1814.209
where: short stacking energy: -716.618
Base-Backbone interact. energy: -1.383
local terms energy: -742.426360
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -127.516
flat angles C4'-P-C4' energy: -152.950
flat angles P-C4'-P energy: -117.468
tors. eta vs tors. theta energy: -227.472
Dist. restrs. and SS energy: 11.621 (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: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2452.362675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.362675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.259840 (E_RNA)
where:
Base-Base interactions energy: -1746.913
where: short stacking energy: -703.924
Base-Backbone interact. energy: 2.918
local terms energy: -713.264350
where:
bonds (distance) C4'-P energy: -115.881
bonds (distance) P-C4' energy: -131.559
flat angles C4'-P-C4' energy: -152.669
flat angles P-C4'-P energy: -102.373
tors. eta vs tors. theta energy: -210.782
Dist. restrs. and SS energy: 4.897 (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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2437.549512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.549512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.623640 (E_RNA)
where:
Base-Base interactions energy: -1747.307
where: short stacking energy: -710.577
Base-Backbone interact. energy: -2.262
local terms energy: -698.054675
where:
bonds (distance) C4'-P energy: -119.650
bonds (distance) P-C4' energy: -127.380
flat angles C4'-P-C4' energy: -139.087
flat angles P-C4'-P energy: -93.412
tors. eta vs tors. theta energy: -218.527
Dist. restrs. and SS energy: 10.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2340.102253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.102253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.392888 (E_RNA)
where:
Base-Base interactions energy: -1692.707
where: short stacking energy: -684.338
Base-Backbone interact. energy: -1.770
local terms energy: -650.915693
where:
bonds (distance) C4'-P energy: -108.988
bonds (distance) P-C4' energy: -110.797
flat angles C4'-P-C4' energy: -141.874
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -209.750
Dist. restrs. and SS energy: 5.291 (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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -2233.751648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.751648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.723865 (E_RNA)
where:
Base-Base interactions energy: -1597.542
where: short stacking energy: -640.642
Base-Backbone interact. energy: 1.016
local terms energy: -647.197455
where:
bonds (distance) C4'-P energy: -103.060
bonds (distance) P-C4' energy: -105.124
flat angles C4'-P-C4' energy: -150.486
flat angles P-C4'-P energy: -89.713
tors. eta vs tors. theta energy: -198.815
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: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -2069.735438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.735438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.472375 (E_RNA)
where:
Base-Base interactions energy: -1500.650
where: short stacking energy: -590.040
Base-Backbone interact. energy: 0.503
local terms energy: -581.325443
where:
bonds (distance) C4'-P energy: -111.404
bonds (distance) P-C4' energy: -97.062
flat angles C4'-P-C4' energy: -131.038
flat angles P-C4'-P energy: -74.426
tors. eta vs tors. theta energy: -167.395
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: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1987.931094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.931094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.142802 (E_RNA)
where:
Base-Base interactions energy: -1427.366
where: short stacking energy: -560.889
Base-Backbone interact. energy: -2.827
local terms energy: -577.949903
where:
bonds (distance) C4'-P energy: -93.936
bonds (distance) P-C4' energy: -119.579
flat angles C4'-P-C4' energy: -108.622
flat angles P-C4'-P energy: -96.083
tors. eta vs tors. theta energy: -159.730
Dist. restrs. and SS energy: 20.212 (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: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2721.064439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.064439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.058497 (E_RNA)
where:
Base-Base interactions energy: -1907.648
where: short stacking energy: -789.008
Base-Backbone interact. energy: -4.360
local terms energy: -818.049608
where:
bonds (distance) C4'-P energy: -138.851
bonds (distance) P-C4' energy: -151.849
flat angles C4'-P-C4' energy: -160.837
flat angles P-C4'-P energy: -114.149
tors. eta vs tors. theta energy: -252.364
Dist. restrs. and SS energy: 8.994 (S_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: 171
Temperature: 0.950000
Total energy: -2698.849304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.849304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.910245 (E_RNA)
where:
Base-Base interactions energy: -1897.511
where: short stacking energy: -781.627
Base-Backbone interact. energy: -4.047
local terms energy: -803.351735
where:
bonds (distance) C4'-P energy: -147.452
bonds (distance) P-C4' energy: -137.330
flat angles C4'-P-C4' energy: -162.438
flat angles P-C4'-P energy: -115.006
tors. eta vs tors. theta energy: -241.126
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: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2601.321088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.321088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.756137 (E_RNA)
where:
Base-Base interactions energy: -1847.293
where: short stacking energy: -762.233
Base-Backbone interact. energy: -0.671
local terms energy: -767.792573
where:
bonds (distance) C4'-P energy: -130.304
bonds (distance) P-C4' energy: -136.382
flat angles C4'-P-C4' energy: -146.944
flat angles P-C4'-P energy: -116.047
tors. eta vs tors. theta energy: -238.116
Dist. restrs. and SS energy: 14.435 (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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2544.053734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.053734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.650664 (E_RNA)
where:
Base-Base interactions energy: -1814.392
where: short stacking energy: -733.733
Base-Backbone interact. energy: -2.706
local terms energy: -737.552923
where:
bonds (distance) C4'-P energy: -125.103
bonds (distance) P-C4' energy: -143.176
flat angles C4'-P-C4' energy: -135.936
flat angles P-C4'-P energy: -111.954
tors. eta vs tors. theta energy: -221.383
Dist. restrs. and SS energy: 10.597 (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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2488.019547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.019547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.411853 (E_RNA)
where:
Base-Base interactions energy: -1748.257
where: short stacking energy: -709.240
Base-Backbone interact. energy: -0.456
local terms energy: -742.699126
where:
bonds (distance) C4'-P energy: -120.312
bonds (distance) P-C4' energy: -146.264
flat angles C4'-P-C4' energy: -151.338
flat angles P-C4'-P energy: -105.045
tors. eta vs tors. theta energy: -219.741
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2451.395588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.395588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.047589 (E_RNA)
where:
Base-Base interactions energy: -1754.220
where: short stacking energy: -701.627
Base-Backbone interact. energy: -2.673
local terms energy: -705.154939
where:
bonds (distance) C4'-P energy: -120.319
bonds (distance) P-C4' energy: -117.195
flat angles C4'-P-C4' energy: -162.346
flat angles P-C4'-P energy: -88.862
tors. eta vs tors. theta energy: -216.434
Dist. restrs. and SS energy: 10.652 (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: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2341.916956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.916956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.896270 (E_RNA)
where:
Base-Base interactions energy: -1686.100
where: short stacking energy: -674.922
Base-Backbone interact. energy: -2.401
local terms energy: -662.395477
where:
bonds (distance) C4'-P energy: -106.737
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -100.871
tors. eta vs tors. theta energy: -207.916
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: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2200.599691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.599691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.432436 (E_RNA)
where:
Base-Base interactions energy: -1572.963
where: short stacking energy: -628.106
Base-Backbone interact. energy: -0.358
local terms energy: -643.111774
where:
bonds (distance) C4'-P energy: -119.769
bonds (distance) P-C4' energy: -112.264
flat angles C4'-P-C4' energy: -126.288
flat angles P-C4'-P energy: -74.796
tors. eta vs tors. theta energy: -209.994
Dist. restrs. and SS energy: 15.833 (S_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: 171
Temperature: 1.300000
Total energy: -2046.965982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.965982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.324762 (E_RNA)
where:
Base-Base interactions energy: -1457.976
where: short stacking energy: -587.257
Base-Backbone interact. energy: -0.791
local terms energy: -602.557917
where:
bonds (distance) C4'-P energy: -124.163
bonds (distance) P-C4' energy: -106.373
flat angles C4'-P-C4' energy: -113.438
flat angles P-C4'-P energy: -82.717
tors. eta vs tors. theta energy: -175.868
Dist. restrs. and SS energy: 14.359 (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: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -2010.727005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.727005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.194133 (E_RNA)
where:
Base-Base interactions energy: -1458.764
where: short stacking energy: -589.106
Base-Backbone interact. energy: 0.200
local terms energy: -571.630301
where:
bonds (distance) C4'-P energy: -103.722
bonds (distance) P-C4' energy: -66.569
flat angles C4'-P-C4' energy: -136.683
flat angles P-C4'-P energy: -85.044
tors. eta vs tors. theta energy: -179.612
Dist. restrs. and SS energy: 19.467 (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: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2733.416748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.416748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.739098 (E_RNA)
where:
Base-Base interactions energy: -1925.948
where: short stacking energy: -796.150
Base-Backbone interact. energy: -3.486
local terms energy: -816.305288
where:
bonds (distance) C4'-P energy: -147.647
bonds (distance) P-C4' energy: -143.827
flat angles C4'-P-C4' energy: -166.732
flat angles P-C4'-P energy: -109.486
tors. eta vs tors. theta energy: -248.613
Dist. restrs. and SS energy: 12.322 (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: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2692.545083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.545083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.735273 (E_RNA)
where:
Base-Base interactions energy: -1896.440
where: short stacking energy: -796.898
Base-Backbone interact. energy: -1.392
local terms energy: -804.903306
where:
bonds (distance) C4'-P energy: -129.985
bonds (distance) P-C4' energy: -138.347
flat angles C4'-P-C4' energy: -164.514
flat angles P-C4'-P energy: -125.666
tors. eta vs tors. theta energy: -246.392
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: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2607.132335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.132335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.044936 (E_RNA)
where:
Base-Base interactions energy: -1840.996
where: short stacking energy: -754.252
Base-Backbone interact. energy: -0.502
local terms energy: -778.547878
where:
bonds (distance) C4'-P energy: -135.176
bonds (distance) P-C4' energy: -129.230
flat angles C4'-P-C4' energy: -168.816
flat angles P-C4'-P energy: -111.038
tors. eta vs tors. theta energy: -234.287
Dist. restrs. and SS energy: 12.913 (S_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: 172
Temperature: 1.050000
Total energy: -2539.267964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.267964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.410720 (E_RNA)
where:
Base-Base interactions energy: -1788.366
where: short stacking energy: -729.544
Base-Backbone interact. energy: -2.429
local terms energy: -761.615194
where:
bonds (distance) C4'-P energy: -130.401
bonds (distance) P-C4' energy: -135.072
flat angles C4'-P-C4' energy: -154.878
flat angles P-C4'-P energy: -104.535
tors. eta vs tors. theta energy: -236.729
Dist. restrs. and SS energy: 13.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2479.871999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.871999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.993283 (E_RNA)
where:
Base-Base interactions energy: -1784.030
where: short stacking energy: -718.781
Base-Backbone interact. energy: 4.540
local terms energy: -704.503074
where:
bonds (distance) C4'-P energy: -126.312
bonds (distance) P-C4' energy: -107.619
flat angles C4'-P-C4' energy: -150.209
flat angles P-C4'-P energy: -106.596
tors. eta vs tors. theta energy: -213.767
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: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2439.920387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.920387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.350364 (E_RNA)
where:
Base-Base interactions energy: -1767.382
where: short stacking energy: -713.548
Base-Backbone interact. energy: -0.682
local terms energy: -679.286253
where:
bonds (distance) C4'-P energy: -99.987
bonds (distance) P-C4' energy: -126.709
flat angles C4'-P-C4' energy: -138.178
flat angles P-C4'-P energy: -90.530
tors. eta vs tors. theta energy: -223.881
Dist. restrs. and SS energy: 7.430 (S_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: 172
Temperature: 1.200000
Total energy: -2367.587285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.587285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.070388 (E_RNA)
where:
Base-Base interactions energy: -1664.752
where: short stacking energy: -675.155
Base-Backbone interact. energy: -3.946
local terms energy: -706.372384
where:
bonds (distance) C4'-P energy: -110.219
bonds (distance) P-C4' energy: -117.146
flat angles C4'-P-C4' energy: -151.844
flat angles P-C4'-P energy: -100.444
tors. eta vs tors. theta energy: -226.720
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: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2237.886978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.886978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.338384 (E_RNA)
where:
Base-Base interactions energy: -1594.022
where: short stacking energy: -638.701
Base-Backbone interact. energy: 1.054
local terms energy: -658.370456
where:
bonds (distance) C4'-P energy: -119.060
bonds (distance) P-C4' energy: -104.664
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -92.211
tors. eta vs tors. theta energy: -202.838
Dist. restrs. and SS energy: 13.451 (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: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -2012.462895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.462895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.135295 (E_RNA)
where:
Base-Base interactions energy: -1439.285
where: short stacking energy: -547.115
Base-Backbone interact. energy: 0.728
local terms energy: -583.578264
where:
bonds (distance) C4'-P energy: -110.136
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -133.674
flat angles P-C4'-P energy: -77.175
tors. eta vs tors. theta energy: -158.156
Dist. restrs. and SS energy: 9.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -2004.046399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.046399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.776387 (E_RNA)
where:
Base-Base interactions energy: -1445.975
where: short stacking energy: -588.163
Base-Backbone interact. energy: -1.745
local terms energy: -575.056629
where:
bonds (distance) C4'-P energy: -98.070
bonds (distance) P-C4' energy: -91.514
flat angles C4'-P-C4' energy: -134.654
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -168.342
Dist. restrs. and SS energy: 18.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2704.800598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.800598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.811846 (E_RNA)
where:
Base-Base interactions energy: -1906.427
where: short stacking energy: -780.609
Base-Backbone interact. energy: -2.865
local terms energy: -806.519847
where:
bonds (distance) C4'-P energy: -125.171
bonds (distance) P-C4' energy: -155.329
flat angles C4'-P-C4' energy: -166.480
flat angles P-C4'-P energy: -111.027
tors. eta vs tors. theta energy: -248.513
Dist. restrs. and SS energy: 11.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2683.338577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.338577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.170520 (E_RNA)
where:
Base-Base interactions energy: -1897.975
where: short stacking energy: -786.332
Base-Backbone interact. energy: -3.309
local terms energy: -789.886249
where:
bonds (distance) C4'-P energy: -136.240
bonds (distance) P-C4' energy: -139.654
flat angles C4'-P-C4' energy: -164.255
flat angles P-C4'-P energy: -107.045
tors. eta vs tors. theta energy: -242.693
Dist. restrs. and SS energy: 7.832 (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: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2646.301652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.301652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.382141 (E_RNA)
where:
Base-Base interactions energy: -1875.676
where: short stacking energy: -783.981
Base-Backbone interact. energy: -2.053
local terms energy: -778.652733
where:
bonds (distance) C4'-P energy: -130.667
bonds (distance) P-C4' energy: -132.734
flat angles C4'-P-C4' energy: -178.086
flat angles P-C4'-P energy: -94.049
tors. eta vs tors. theta energy: -243.116
Dist. restrs. and SS energy: 10.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2553.529589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.529589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.825371 (E_RNA)
where:
Base-Base interactions energy: -1829.853
where: short stacking energy: -750.564
Base-Backbone interact. energy: -4.889
local terms energy: -728.083016
where:
bonds (distance) C4'-P energy: -113.551
bonds (distance) P-C4' energy: -132.483
flat angles C4'-P-C4' energy: -142.230
flat angles P-C4'-P energy: -104.142
tors. eta vs tors. theta energy: -235.677
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2537.864757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.864757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.763425 (E_RNA)
where:
Base-Base interactions energy: -1799.131
where: short stacking energy: -729.331
Base-Backbone interact. energy: -1.712
local terms energy: -740.919967
where:
bonds (distance) C4'-P energy: -133.192
bonds (distance) P-C4' energy: -125.504
flat angles C4'-P-C4' energy: -149.137
flat angles P-C4'-P energy: -107.011
tors. eta vs tors. theta energy: -226.076
Dist. restrs. and SS energy: 3.899 (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: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2473.179203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.179203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.915272 (E_RNA)
where:
Base-Base interactions energy: -1761.953
where: short stacking energy: -713.232
Base-Backbone interact. energy: -1.938
local terms energy: -719.024237
where:
bonds (distance) C4'-P energy: -106.614
bonds (distance) P-C4' energy: -132.867
flat angles C4'-P-C4' energy: -153.097
flat angles P-C4'-P energy: -107.035
tors. eta vs tors. theta energy: -219.411
Dist. restrs. and SS energy: 9.736 (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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2388.523782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.523782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.218085 (E_RNA)
where:
Base-Base interactions energy: -1688.214
where: short stacking energy: -676.927
Base-Backbone interact. energy: -1.715
local terms energy: -704.289247
where:
bonds (distance) C4'-P energy: -124.331
bonds (distance) P-C4' energy: -126.792
flat angles C4'-P-C4' energy: -149.680
flat angles P-C4'-P energy: -99.504
tors. eta vs tors. theta energy: -203.983
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: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2184.737853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.737853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.361186 (E_RNA)
where:
Base-Base interactions energy: -1537.689
where: short stacking energy: -638.081
Base-Backbone interact. energy: 0.504
local terms energy: -665.176646
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -112.589
flat angles C4'-P-C4' energy: -136.124
flat angles P-C4'-P energy: -90.345
tors. eta vs tors. theta energy: -208.031
Dist. restrs. and SS energy: 17.623 (S_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: 173
Temperature: 1.300000
Total energy: -1997.264416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.264416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.573562 (E_RNA)
where:
Base-Base interactions energy: -1449.860
where: short stacking energy: -566.625
Base-Backbone interact. energy: -2.849
local terms energy: -559.864324
where:
bonds (distance) C4'-P energy: -90.280
bonds (distance) P-C4' energy: -104.787
flat angles C4'-P-C4' energy: -113.916
flat angles P-C4'-P energy: -88.180
tors. eta vs tors. theta energy: -162.701
Dist. restrs. and SS energy: 15.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -2025.698937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.698937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.862840 (E_RNA)
where:
Base-Base interactions energy: -1478.251
where: short stacking energy: -606.275
Base-Backbone interact. energy: -2.392
local terms energy: -567.220427
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -81.737
flat angles C4'-P-C4' energy: -133.037
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: -188.693
Dist. restrs. and SS energy: 22.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2729.807826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.807826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.618121 (E_RNA)
where:
Base-Base interactions energy: -1925.072
where: short stacking energy: -813.244
Base-Backbone interact. energy: -2.466
local terms energy: -812.080826
where:
bonds (distance) C4'-P energy: -143.833
bonds (distance) P-C4' energy: -135.829
flat angles C4'-P-C4' energy: -165.996
flat angles P-C4'-P energy: -119.715
tors. eta vs tors. theta energy: -246.708
Dist. restrs. and SS energy: 9.810 (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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2638.983548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.983548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.971608 (E_RNA)
where:
Base-Base interactions energy: -1872.939
where: short stacking energy: -750.262
Base-Backbone interact. energy: -0.956
local terms energy: -779.076660
where:
bonds (distance) C4'-P energy: -149.063
bonds (distance) P-C4' energy: -138.068
flat angles C4'-P-C4' energy: -155.406
flat angles P-C4'-P energy: -95.508
tors. eta vs tors. theta energy: -241.032
Dist. restrs. and SS energy: 13.988 (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: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2596.247784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.247784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.806167 (E_RNA)
where:
Base-Base interactions energy: -1845.967
where: short stacking energy: -751.765
Base-Backbone interact. energy: -3.056
local terms energy: -758.783132
where:
bonds (distance) C4'-P energy: -133.586
bonds (distance) P-C4' energy: -122.261
flat angles C4'-P-C4' energy: -162.621
flat angles P-C4'-P energy: -101.504
tors. eta vs tors. theta energy: -238.811
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: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2562.586646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.586646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.478671 (E_RNA)
where:
Base-Base interactions energy: -1809.231
where: short stacking energy: -742.050
Base-Backbone interact. energy: -0.698
local terms energy: -763.549702
where:
bonds (distance) C4'-P energy: -110.237
bonds (distance) P-C4' energy: -136.470
flat angles C4'-P-C4' energy: -163.200
flat angles P-C4'-P energy: -115.895
tors. eta vs tors. theta energy: -237.747
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2490.860474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.860474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.000435 (E_RNA)
where:
Base-Base interactions energy: -1757.004
where: short stacking energy: -704.528
Base-Backbone interact. energy: -0.556
local terms energy: -738.440712
where:
bonds (distance) C4'-P energy: -129.213
bonds (distance) P-C4' energy: -125.958
flat angles C4'-P-C4' energy: -152.153
flat angles P-C4'-P energy: -115.044
tors. eta vs tors. theta energy: -216.073
Dist. restrs. and SS energy: 5.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2435.612054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.612054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.564458 (E_RNA)
where:
Base-Base interactions energy: -1764.366
where: short stacking energy: -701.793
Base-Backbone interact. energy: 1.310
local terms energy: -679.508711
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -104.512
flat angles C4'-P-C4' energy: -155.098
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -222.935
Dist. restrs. and SS energy: 6.952 (S_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: 174
Temperature: 1.200000
Total energy: -2342.997527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.997527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.414832 (E_RNA)
where:
Base-Base interactions energy: -1678.565
where: short stacking energy: -673.227
Base-Backbone interact. energy: -2.371
local terms energy: -670.478271
where:
bonds (distance) C4'-P energy: -115.390
bonds (distance) P-C4' energy: -117.414
flat angles C4'-P-C4' energy: -150.825
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -196.366
Dist. restrs. and SS energy: 8.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2200.364662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.364662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.412021 (E_RNA)
where:
Base-Base interactions energy: -1606.702
where: short stacking energy: -642.438
Base-Backbone interact. energy: 0.888
local terms energy: -617.597665
where:
bonds (distance) C4'-P energy: -100.419
bonds (distance) P-C4' energy: -113.824
flat angles C4'-P-C4' energy: -127.002
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -193.171
Dist. restrs. and SS energy: 23.047 (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: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -2087.921093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.921093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.364152 (E_RNA)
where:
Base-Base interactions energy: -1484.509
where: short stacking energy: -607.530
Base-Backbone interact. energy: -2.680
local terms energy: -617.174956
where:
bonds (distance) C4'-P energy: -126.856
bonds (distance) P-C4' energy: -82.828
flat angles C4'-P-C4' energy: -135.816
flat angles P-C4'-P energy: -89.062
tors. eta vs tors. theta energy: -182.612
Dist. restrs. and SS energy: 16.443 (S_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: 174
Temperature: 1.350000
Total energy: -1942.670267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.670267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.450854 (E_RNA)
where:
Base-Base interactions energy: -1394.698
where: short stacking energy: -567.830
Base-Backbone interact. energy: -0.360
local terms energy: -567.392628
where:
bonds (distance) C4'-P energy: -103.376
bonds (distance) P-C4' energy: -100.836
flat angles C4'-P-C4' energy: -126.757
flat angles P-C4'-P energy: -80.452
tors. eta vs tors. theta energy: -155.971
Dist. restrs. and SS energy: 19.781 (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: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2735.657373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.657373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.569267 (E_RNA)
where:
Base-Base interactions energy: -1925.000
where: short stacking energy: -787.702
Base-Backbone interact. energy: -0.930
local terms energy: -817.639133
where:
bonds (distance) C4'-P energy: -147.303
bonds (distance) P-C4' energy: -141.621
flat angles C4'-P-C4' energy: -164.170
flat angles P-C4'-P energy: -119.834
tors. eta vs tors. theta energy: -244.711
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: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2697.092640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.092640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.724413 (E_RNA)
where:
Base-Base interactions energy: -1920.020
where: short stacking energy: -782.842
Base-Backbone interact. energy: -1.555
local terms energy: -789.149519
where:
bonds (distance) C4'-P energy: -126.009
bonds (distance) P-C4' energy: -134.272
flat angles C4'-P-C4' energy: -170.845
flat angles P-C4'-P energy: -111.688
tors. eta vs tors. theta energy: -246.336
Dist. restrs. and SS energy: 13.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2637.793590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.793590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.939564 (E_RNA)
where:
Base-Base interactions energy: -1899.493
where: short stacking energy: -786.164
Base-Backbone interact. energy: -1.458
local terms energy: -744.988407
where:
bonds (distance) C4'-P energy: -112.607
bonds (distance) P-C4' energy: -125.017
flat angles C4'-P-C4' energy: -168.201
flat angles P-C4'-P energy: -107.745
tors. eta vs tors. theta energy: -231.419
Dist. restrs. and SS energy: 8.146 (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: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2549.385133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.385133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.959251 (E_RNA)
where:
Base-Base interactions energy: -1822.158
where: short stacking energy: -741.232
Base-Backbone interact. energy: 2.112
local terms energy: -738.913196
where:
bonds (distance) C4'-P energy: -121.516
bonds (distance) P-C4' energy: -134.472
flat angles C4'-P-C4' energy: -155.100
flat angles P-C4'-P energy: -90.737
tors. eta vs tors. theta energy: -237.089
Dist. restrs. and SS energy: 9.574 (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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2495.308049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.308049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.349715 (E_RNA)
where:
Base-Base interactions energy: -1747.254
where: short stacking energy: -717.134
Base-Backbone interact. energy: 2.254
local terms energy: -755.349756
where:
bonds (distance) C4'-P energy: -135.158
bonds (distance) P-C4' energy: -137.185
flat angles C4'-P-C4' energy: -156.560
flat angles P-C4'-P energy: -96.483
tors. eta vs tors. theta energy: -229.964
Dist. restrs. and SS energy: 5.042 (S_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: 175
Temperature: 1.150000
Total energy: -2451.444162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.444162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.991765 (E_RNA)
where:
Base-Base interactions energy: -1771.969
where: short stacking energy: -715.880
Base-Backbone interact. energy: -1.631
local terms energy: -685.391962
where:
bonds (distance) C4'-P energy: -111.047
bonds (distance) P-C4' energy: -109.876
flat angles C4'-P-C4' energy: -148.305
flat angles P-C4'-P energy: -107.218
tors. eta vs tors. theta energy: -208.945
Dist. restrs. and SS energy: 7.548 (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: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2398.785407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.785407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.742008 (E_RNA)
where:
Base-Base interactions energy: -1691.270
where: short stacking energy: -661.669
Base-Backbone interact. energy: -2.526
local terms energy: -712.946248
where:
bonds (distance) C4'-P energy: -122.830
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -157.479
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -214.036
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: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2192.809137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.809137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.872706 (E_RNA)
where:
Base-Base interactions energy: -1598.049
where: short stacking energy: -639.926
Base-Backbone interact. energy: -0.290
local terms energy: -609.533184
where:
bonds (distance) C4'-P energy: -109.439
bonds (distance) P-C4' energy: -103.517
flat angles C4'-P-C4' energy: -135.059
flat angles P-C4'-P energy: -70.775
tors. eta vs tors. theta energy: -190.744
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: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -2028.540216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.540216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.252516 (E_RNA)
where:
Base-Base interactions energy: -1447.542
where: short stacking energy: -585.770
Base-Backbone interact. energy: 3.698
local terms energy: -616.408755
where:
bonds (distance) C4'-P energy: -122.851
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -130.375
flat angles P-C4'-P energy: -84.562
tors. eta vs tors. theta energy: -182.418
Dist. restrs. and SS energy: 31.712 (S_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: 175
Temperature: 1.350000
Total energy: -1997.326325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.326325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.829676 (E_RNA)
where:
Base-Base interactions energy: -1437.396
where: short stacking energy: -561.121
Base-Backbone interact. energy: 0.547
local terms energy: -582.980565
where:
bonds (distance) C4'-P energy: -107.590
bonds (distance) P-C4' energy: -105.153
flat angles C4'-P-C4' energy: -127.061
flat angles P-C4'-P energy: -77.070
tors. eta vs tors. theta energy: -166.107
Dist. restrs. and SS energy: 22.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2747.459900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.459900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.346688 (E_RNA)
where:
Base-Base interactions energy: -1932.952
where: short stacking energy: -794.243
Base-Backbone interact. energy: -2.505
local terms energy: -818.888879
where:
bonds (distance) C4'-P energy: -138.522
bonds (distance) P-C4' energy: -144.528
flat angles C4'-P-C4' energy: -173.593
flat angles P-C4'-P energy: -117.301
tors. eta vs tors. theta energy: -244.944
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: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2660.731780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.731780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.613474 (E_RNA)
where:
Base-Base interactions energy: -1909.945
where: short stacking energy: -780.558
Base-Backbone interact. energy: -0.166
local terms energy: -761.502335
where:
bonds (distance) C4'-P energy: -124.442
bonds (distance) P-C4' energy: -123.920
flat angles C4'-P-C4' energy: -162.429
flat angles P-C4'-P energy: -110.645
tors. eta vs tors. theta energy: -240.066
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: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2627.178962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.178962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.355275 (E_RNA)
where:
Base-Base interactions energy: -1873.269
where: short stacking energy: -769.264
Base-Backbone interact. energy: -2.462
local terms energy: -761.623855
where:
bonds (distance) C4'-P energy: -117.942
bonds (distance) P-C4' energy: -139.111
flat angles C4'-P-C4' energy: -156.655
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -237.351
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: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2564.472994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.472994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.743811 (E_RNA)
where:
Base-Base interactions energy: -1835.307
where: short stacking energy: -734.326
Base-Backbone interact. energy: -1.861
local terms energy: -742.576280
where:
bonds (distance) C4'-P energy: -119.855
bonds (distance) P-C4' energy: -129.871
flat angles C4'-P-C4' energy: -149.292
flat angles P-C4'-P energy: -118.758
tors. eta vs tors. theta energy: -224.800
Dist. restrs. and SS energy: 15.271 (S_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: 176
Temperature: 1.100000
Total energy: -2533.519094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.519094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.435234 (E_RNA)
where:
Base-Base interactions energy: -1822.678
where: short stacking energy: -754.108
Base-Backbone interact. energy: -3.242
local terms energy: -717.516097
where:
bonds (distance) C4'-P energy: -111.263
bonds (distance) P-C4' energy: -125.545
flat angles C4'-P-C4' energy: -145.174
flat angles P-C4'-P energy: -101.374
tors. eta vs tors. theta energy: -234.160
Dist. restrs. and SS energy: 9.916 (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: 176
Temperature: 1.150000
Total energy: -2449.422209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.422209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.050867 (E_RNA)
where:
Base-Base interactions energy: -1741.337
where: short stacking energy: -717.432
Base-Backbone interact. energy: -1.712
local terms energy: -709.002343
where:
bonds (distance) C4'-P energy: -105.616
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -109.475
tors. eta vs tors. theta energy: -216.350
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2350.997869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.997869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.842102 (E_RNA)
where:
Base-Base interactions energy: -1650.028
where: short stacking energy: -644.966
Base-Backbone interact. energy: 1.452
local terms energy: -713.266130
where:
bonds (distance) C4'-P energy: -124.440
bonds (distance) P-C4' energy: -140.876
flat angles C4'-P-C4' energy: -155.838
flat angles P-C4'-P energy: -88.480
tors. eta vs tors. theta energy: -203.632
Dist. restrs. and SS energy: 10.844 (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: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2167.327053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.327053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.021954 (E_RNA)
where:
Base-Base interactions energy: -1544.196
where: short stacking energy: -599.535
Base-Backbone interact. energy: 0.302
local terms energy: -638.128003
where:
bonds (distance) C4'-P energy: -93.339
bonds (distance) P-C4' energy: -125.470
flat angles C4'-P-C4' energy: -146.074
flat angles P-C4'-P energy: -88.168
tors. eta vs tors. theta energy: -185.077
Dist. restrs. and SS energy: 14.695 (S_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: 176
Temperature: 1.300000
Total energy: -2059.393196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.393196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.336920 (E_RNA)
where:
Base-Base interactions energy: -1450.809
where: short stacking energy: -595.381
Base-Backbone interact. energy: -3.049
local terms energy: -618.479300
where:
bonds (distance) C4'-P energy: -99.299
bonds (distance) P-C4' energy: -117.692
flat angles C4'-P-C4' energy: -129.875
flat angles P-C4'-P energy: -93.586
tors. eta vs tors. theta energy: -178.027
Dist. restrs. and SS energy: 12.944 (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: 176
Temperature: 1.350000
Total energy: -2004.472570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.472570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.133142 (E_RNA)
where:
Base-Base interactions energy: -1445.386
where: short stacking energy: -549.710
Base-Backbone interact. energy: 0.382
local terms energy: -580.129687
where:
bonds (distance) C4'-P energy: -114.206
bonds (distance) P-C4' energy: -88.231
flat angles C4'-P-C4' energy: -141.492
flat angles P-C4'-P energy: -72.192
tors. eta vs tors. theta energy: -164.008
Dist. restrs. and SS energy: 20.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2759.924722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.924722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.677667 (E_RNA)
where:
Base-Base interactions energy: -1938.180
where: short stacking energy: -787.083
Base-Backbone interact. energy: -4.363
local terms energy: -824.134454
where:
bonds (distance) C4'-P energy: -148.030
bonds (distance) P-C4' energy: -134.026
flat angles C4'-P-C4' energy: -167.495
flat angles P-C4'-P energy: -125.731
tors. eta vs tors. theta energy: -248.853
Dist. restrs. and SS energy: 6.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2660.751824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.751824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.125079 (E_RNA)
where:
Base-Base interactions energy: -1900.538
where: short stacking energy: -798.642
Base-Backbone interact. energy: -1.904
local terms energy: -771.683208
where:
bonds (distance) C4'-P energy: -132.973
bonds (distance) P-C4' energy: -138.858
flat angles C4'-P-C4' energy: -155.456
flat angles P-C4'-P energy: -106.639
tors. eta vs tors. theta energy: -237.757
Dist. restrs. and SS energy: 13.373 (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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2618.267338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.267338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.503734 (E_RNA)
where:
Base-Base interactions energy: -1836.207
where: short stacking energy: -764.718
Base-Backbone interact. energy: 0.465
local terms energy: -793.762322
where:
bonds (distance) C4'-P energy: -133.584
bonds (distance) P-C4' energy: -133.563
flat angles C4'-P-C4' energy: -162.486
flat angles P-C4'-P energy: -122.276
tors. eta vs tors. theta energy: -241.854
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: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2553.232412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.232412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.951004 (E_RNA)
where:
Base-Base interactions energy: -1825.932
where: short stacking energy: -744.013
Base-Backbone interact. energy: 0.713
local terms energy: -740.731945
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -132.469
flat angles C4'-P-C4' energy: -158.969
flat angles P-C4'-P energy: -99.504
tors. eta vs tors. theta energy: -235.836
Dist. restrs. and SS energy: 12.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2535.376852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.376852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.807771 (E_RNA)
where:
Base-Base interactions energy: -1822.159
where: short stacking energy: -732.437
Base-Backbone interact. energy: -2.181
local terms energy: -716.468403
where:
bonds (distance) C4'-P energy: -108.391
bonds (distance) P-C4' energy: -107.350
flat angles C4'-P-C4' energy: -150.533
flat angles P-C4'-P energy: -115.235
tors. eta vs tors. theta energy: -234.961
Dist. restrs. and SS energy: 5.431 (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: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2433.638961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.638961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.944001 (E_RNA)
where:
Base-Base interactions energy: -1742.307
where: short stacking energy: -690.471
Base-Backbone interact. energy: -1.038
local terms energy: -693.599227
where:
bonds (distance) C4'-P energy: -120.125
bonds (distance) P-C4' energy: -117.029
flat angles C4'-P-C4' energy: -133.990
flat angles P-C4'-P energy: -108.856
tors. eta vs tors. theta energy: -213.599
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2323.354410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.354410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.624395 (E_RNA)
where:
Base-Base interactions energy: -1654.031
where: short stacking energy: -676.436
Base-Backbone interact. energy: -0.542
local terms energy: -688.051787
where:
bonds (distance) C4'-P energy: -123.004
bonds (distance) P-C4' energy: -129.204
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -88.740
tors. eta vs tors. theta energy: -219.593
Dist. restrs. and SS energy: 19.270 (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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2208.265933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.265933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.323622 (E_RNA)
where:
Base-Base interactions energy: -1576.505
where: short stacking energy: -628.656
Base-Backbone interact. energy: -2.178
local terms energy: -643.640826
where:
bonds (distance) C4'-P energy: -115.968
bonds (distance) P-C4' energy: -109.047
flat angles C4'-P-C4' energy: -133.236
flat angles P-C4'-P energy: -97.917
tors. eta vs tors. theta energy: -187.473
Dist. restrs. and SS energy: 14.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -2075.271754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.271754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.005247 (E_RNA)
where:
Base-Base interactions energy: -1473.959
where: short stacking energy: -578.436
Base-Backbone interact. energy: -0.461
local terms energy: -618.585575
where:
bonds (distance) C4'-P energy: -107.184
bonds (distance) P-C4' energy: -106.146
flat angles C4'-P-C4' energy: -143.303
flat angles P-C4'-P energy: -78.984
tors. eta vs tors. theta energy: -182.968
Dist. restrs. and SS energy: 17.733 (S_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: 177
Temperature: 1.350000
Total energy: -2000.618097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.618097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.245975 (E_RNA)
where:
Base-Base interactions energy: -1400.394
where: short stacking energy: -550.487
Base-Backbone interact. energy: 2.347
local terms energy: -621.198639
where:
bonds (distance) C4'-P energy: -104.437
bonds (distance) P-C4' energy: -126.094
flat angles C4'-P-C4' energy: -145.682
flat angles P-C4'-P energy: -89.952
tors. eta vs tors. theta energy: -155.033
Dist. restrs. and SS energy: 18.628 (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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2748.579981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.579981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.418498 (E_RNA)
where:
Base-Base interactions energy: -1925.130
where: short stacking energy: -793.272
Base-Backbone interact. energy: -1.257
local terms energy: -828.030588
where:
bonds (distance) C4'-P energy: -149.196
bonds (distance) P-C4' energy: -146.800
flat angles C4'-P-C4' energy: -167.148
flat angles P-C4'-P energy: -114.340
tors. eta vs tors. theta energy: -250.547
Dist. restrs. and SS energy: 5.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2670.776296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.776296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.002584 (E_RNA)
where:
Base-Base interactions energy: -1885.032
where: short stacking energy: -777.223
Base-Backbone interact. energy: -1.679
local terms energy: -797.291766
where:
bonds (distance) C4'-P energy: -128.165
bonds (distance) P-C4' energy: -132.691
flat angles C4'-P-C4' energy: -173.497
flat angles P-C4'-P energy: -119.974
tors. eta vs tors. theta energy: -242.964
Dist. restrs. and SS energy: 13.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2616.921278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.921278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.581406 (E_RNA)
where:
Base-Base interactions energy: -1865.234
where: short stacking energy: -745.359
Base-Backbone interact. energy: -0.373
local terms energy: -762.974564
where:
bonds (distance) C4'-P energy: -120.987
bonds (distance) P-C4' energy: -140.441
flat angles C4'-P-C4' energy: -159.942
flat angles P-C4'-P energy: -109.458
tors. eta vs tors. theta energy: -232.145
Dist. restrs. and SS energy: 11.660 (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: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2559.754939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.754939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.739707 (E_RNA)
where:
Base-Base interactions energy: -1830.170
where: short stacking energy: -770.155
Base-Backbone interact. energy: -4.179
local terms energy: -737.390883
where:
bonds (distance) C4'-P energy: -117.692
bonds (distance) P-C4' energy: -135.871
flat angles C4'-P-C4' energy: -152.532
flat angles P-C4'-P energy: -95.621
tors. eta vs tors. theta energy: -235.674
Dist. restrs. and SS energy: 11.985 (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: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2497.482969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.482969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.742526 (E_RNA)
where:
Base-Base interactions energy: -1788.045
where: short stacking energy: -714.083
Base-Backbone interact. energy: -2.616
local terms energy: -715.081785
where:
bonds (distance) C4'-P energy: -116.363
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -150.390
flat angles P-C4'-P energy: -109.433
tors. eta vs tors. theta energy: -221.105
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: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2385.124281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.124281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.385756 (E_RNA)
where:
Base-Base interactions energy: -1685.048
where: short stacking energy: -689.263
Base-Backbone interact. energy: -0.367
local terms energy: -704.970844
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -114.662
flat angles C4'-P-C4' energy: -148.753
flat angles P-C4'-P energy: -105.240
tors. eta vs tors. theta energy: -217.260
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2363.565742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.565742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.987375 (E_RNA)
where:
Base-Base interactions energy: -1681.646
where: short stacking energy: -685.082
Base-Backbone interact. energy: -3.428
local terms energy: -693.913230
where:
bonds (distance) C4'-P energy: -120.676
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -142.034
flat angles P-C4'-P energy: -99.847
tors. eta vs tors. theta energy: -218.533
Dist. restrs. and SS energy: 15.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2174.553702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.553702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.045881 (E_RNA)
where:
Base-Base interactions energy: -1603.163
where: short stacking energy: -646.287
Base-Backbone interact. energy: 2.202
local terms energy: -591.084587
where:
bonds (distance) C4'-P energy: -86.835
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -137.372
flat angles P-C4'-P energy: -90.529
tors. eta vs tors. theta energy: -187.952
Dist. restrs. and SS energy: 17.492 (S_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: -2085.070320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.070320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.096110 (E_RNA)
where:
Base-Base interactions energy: -1485.653
where: short stacking energy: -613.923
Base-Backbone interact. energy: -0.726
local terms energy: -618.716927
where:
bonds (distance) C4'-P energy: -114.406
bonds (distance) P-C4' energy: -99.856
flat angles C4'-P-C4' energy: -130.296
flat angles P-C4'-P energy: -90.053
tors. eta vs tors. theta energy: -184.107
Dist. restrs. and SS energy: 20.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -2036.147244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.147244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.187439 (E_RNA)
where:
Base-Base interactions energy: -1451.709
where: short stacking energy: -597.284
Base-Backbone interact. energy: 3.868
local terms energy: -603.345910
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -99.940
flat angles C4'-P-C4' energy: -134.606
flat angles P-C4'-P energy: -71.882
tors. eta vs tors. theta energy: -189.403
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: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2780.400681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.400681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.665904 (E_RNA)
where:
Base-Base interactions energy: -1954.722
where: short stacking energy: -818.776
Base-Backbone interact. energy: -2.598
local terms energy: -831.346298
where:
bonds (distance) C4'-P energy: -151.142
bonds (distance) P-C4' energy: -137.859
flat angles C4'-P-C4' energy: -171.565
flat angles P-C4'-P energy: -121.714
tors. eta vs tors. theta energy: -249.066
Dist. restrs. and SS energy: 8.265 (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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2679.014946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.014946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.862214 (E_RNA)
where:
Base-Base interactions energy: -1914.920
where: short stacking energy: -801.442
Base-Backbone interact. energy: -3.930
local terms energy: -774.012318
where:
bonds (distance) C4'-P energy: -140.173
bonds (distance) P-C4' energy: -125.315
flat angles C4'-P-C4' energy: -158.540
flat angles P-C4'-P energy: -99.760
tors. eta vs tors. theta energy: -250.224
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: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2644.341999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.341999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.007986 (E_RNA)
where:
Base-Base interactions energy: -1872.425
where: short stacking energy: -769.869
Base-Backbone interact. energy: -0.354
local terms energy: -781.229311
where:
bonds (distance) C4'-P energy: -128.843
bonds (distance) P-C4' energy: -144.863
flat angles C4'-P-C4' energy: -150.533
flat angles P-C4'-P energy: -109.314
tors. eta vs tors. theta energy: -247.677
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2574.864381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.864381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.386977 (E_RNA)
where:
Base-Base interactions energy: -1849.294
where: short stacking energy: -741.818
Base-Backbone interact. energy: -4.533
local terms energy: -732.559589
where:
bonds (distance) C4'-P energy: -140.471
bonds (distance) P-C4' energy: -119.039
flat angles C4'-P-C4' energy: -157.178
flat angles P-C4'-P energy: -89.378
tors. eta vs tors. theta energy: -226.493
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2501.828906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.828906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.245940 (E_RNA)
where:
Base-Base interactions energy: -1777.356
where: short stacking energy: -701.836
Base-Backbone interact. energy: -1.927
local terms energy: -730.962749
where:
bonds (distance) C4'-P energy: -125.248
bonds (distance) P-C4' energy: -134.089
flat angles C4'-P-C4' energy: -144.494
flat angles P-C4'-P energy: -111.503
tors. eta vs tors. theta energy: -215.629
Dist. restrs. and SS energy: 8.417 (S_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: 179
Temperature: 1.150000
Total energy: -2486.499709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.499709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.227530 (E_RNA)
where:
Base-Base interactions energy: -1756.700
where: short stacking energy: -713.544
Base-Backbone interact. energy: -0.922
local terms energy: -738.606028
where:
bonds (distance) C4'-P energy: -127.466
bonds (distance) P-C4' energy: -136.665
flat angles C4'-P-C4' energy: -149.581
flat angles P-C4'-P energy: -99.175
tors. eta vs tors. theta energy: -225.719
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: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2372.220762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.220762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.586982 (E_RNA)
where:
Base-Base interactions energy: -1699.351
where: short stacking energy: -683.392
Base-Backbone interact. energy: -3.409
local terms energy: -673.827649
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -142.981
flat angles P-C4'-P energy: -90.065
tors. eta vs tors. theta energy: -211.155
Dist. restrs. and SS energy: 4.366 (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: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2172.804701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.804701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.269026 (E_RNA)
where:
Base-Base interactions energy: -1537.547
where: short stacking energy: -639.459
Base-Backbone interact. energy: -1.034
local terms energy: -656.688205
where:
bonds (distance) C4'-P energy: -113.576
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -142.755
flat angles P-C4'-P energy: -91.847
tors. eta vs tors. theta energy: -199.188
Dist. restrs. and SS energy: 22.464 (S_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: 179
Temperature: 1.300000
Total energy: -2069.626737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.626737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.017696 (E_RNA)
where:
Base-Base interactions energy: -1445.409
where: short stacking energy: -584.729
Base-Backbone interact. energy: -2.995
local terms energy: -639.613695
where:
bonds (distance) C4'-P energy: -108.760
bonds (distance) P-C4' energy: -124.195
flat angles C4'-P-C4' energy: -137.938
flat angles P-C4'-P energy: -91.384
tors. eta vs tors. theta energy: -177.337
Dist. restrs. and SS energy: 18.391 (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: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -2013.068690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.068690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.717756 (E_RNA)
where:
Base-Base interactions energy: -1443.438
where: short stacking energy: -567.156
Base-Backbone interact. energy: 1.198
local terms energy: -587.478327
where:
bonds (distance) C4'-P energy: -108.987
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -120.508
flat angles P-C4'-P energy: -74.083
tors. eta vs tors. theta energy: -182.218
Dist. restrs. and SS energy: 16.649 (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: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2775.863638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.863638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.783706 (E_RNA)
where:
Base-Base interactions energy: -1945.601
where: short stacking energy: -819.479
Base-Backbone interact. energy: -4.420
local terms energy: -832.762220
where:
bonds (distance) C4'-P energy: -141.581
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -179.342
flat angles P-C4'-P energy: -118.690
tors. eta vs tors. theta energy: -257.478
Dist. restrs. and SS energy: 6.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2658.053739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.053739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.951946 (E_RNA)
where:
Base-Base interactions energy: -1899.485
where: short stacking energy: -784.718
Base-Backbone interact. energy: -1.837
local terms energy: -768.630276
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -133.198
flat angles C4'-P-C4' energy: -164.070
flat angles P-C4'-P energy: -99.463
tors. eta vs tors. theta energy: -246.027
Dist. restrs. and SS energy: 11.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2614.312151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.312151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.832942 (E_RNA)
where:
Base-Base interactions energy: -1826.581
where: short stacking energy: -743.665
Base-Backbone interact. energy: -0.378
local terms energy: -797.873665
where:
bonds (distance) C4'-P energy: -130.995
bonds (distance) P-C4' energy: -144.922
flat angles C4'-P-C4' energy: -170.621
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -244.681
Dist. restrs. and SS energy: 10.521 (S_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: 180
Temperature: 1.050000
Total energy: -2534.460268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.460268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.410496 (E_RNA)
where:
Base-Base interactions energy: -1823.657
where: short stacking energy: -749.093
Base-Backbone interact. energy: -3.663
local terms energy: -718.090269
where:
bonds (distance) C4'-P energy: -113.462
bonds (distance) P-C4' energy: -126.081
flat angles C4'-P-C4' energy: -152.172
flat angles P-C4'-P energy: -100.483
tors. eta vs tors. theta energy: -225.893
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: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2476.191914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.191914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.647501 (E_RNA)
where:
Base-Base interactions energy: -1744.499
where: short stacking energy: -725.295
Base-Backbone interact. energy: 1.362
local terms energy: -741.510906
where:
bonds (distance) C4'-P energy: -125.526
bonds (distance) P-C4' energy: -130.659
flat angles C4'-P-C4' energy: -147.075
flat angles P-C4'-P energy: -104.669
tors. eta vs tors. theta energy: -233.582
Dist. restrs. and SS energy: 8.456 (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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2444.018837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.018837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.081227 (E_RNA)
where:
Base-Base interactions energy: -1739.159
where: short stacking energy: -705.030
Base-Backbone interact. energy: -1.136
local terms energy: -709.786456
where:
bonds (distance) C4'-P energy: -116.925
bonds (distance) P-C4' energy: -118.915
flat angles C4'-P-C4' energy: -155.429
flat angles P-C4'-P energy: -98.582
tors. eta vs tors. theta energy: -219.936
Dist. restrs. and SS energy: 6.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2339.302776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.726965 (E_RNA)
where:
Base-Base interactions energy: -1688.071
where: short stacking energy: -684.653
Base-Backbone interact. energy: -1.137
local terms energy: -656.518407
where:
bonds (distance) C4'-P energy: -103.378
bonds (distance) P-C4' energy: -122.766
flat angles C4'-P-C4' energy: -141.379
flat angles P-C4'-P energy: -89.312
tors. eta vs tors. theta energy: -199.684
Dist. restrs. and SS energy: 6.424 (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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2191.531970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.531970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.834488 (E_RNA)
where:
Base-Base interactions energy: -1597.582
where: short stacking energy: -641.742
Base-Backbone interact. energy: 1.497
local terms energy: -613.750154
where:
bonds (distance) C4'-P energy: -84.161
bonds (distance) P-C4' energy: -111.697
flat angles C4'-P-C4' energy: -141.156
flat angles P-C4'-P energy: -86.209
tors. eta vs tors. theta energy: -190.527
Dist. restrs. and SS energy: 18.303 (S_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: 180
Temperature: 1.300000
Total energy: -2098.688661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.688661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.709185 (E_RNA)
where:
Base-Base interactions energy: -1495.263
where: short stacking energy: -596.795
Base-Backbone interact. energy: -2.286
local terms energy: -617.160111
where:
bonds (distance) C4'-P energy: -114.253
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -131.409
flat angles P-C4'-P energy: -87.692
tors. eta vs tors. theta energy: -171.152
Dist. restrs. and SS energy: 16.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1961.129683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.129683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.199853 (E_RNA)
where:
Base-Base interactions energy: -1379.889
where: short stacking energy: -544.986
Base-Backbone interact. energy: 1.825
local terms energy: -604.136447
where:
bonds (distance) C4'-P energy: -110.029
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -123.307
flat angles P-C4'-P energy: -91.933
tors. eta vs tors. theta energy: -166.466
Dist. restrs. and SS energy: 21.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2737.706882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.706882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.084773 (E_RNA)
where:
Base-Base interactions energy: -1909.974
where: short stacking energy: -787.207
Base-Backbone interact. energy: -1.544
local terms energy: -832.566574
where:
bonds (distance) C4'-P energy: -145.302
bonds (distance) P-C4' energy: -147.987
flat angles C4'-P-C4' energy: -170.326
flat angles P-C4'-P energy: -120.558
tors. eta vs tors. theta energy: -248.393
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: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2676.571303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.873953 (E_RNA)
where:
Base-Base interactions energy: -1886.719
where: short stacking energy: -779.690
Base-Backbone interact. energy: -0.189
local terms energy: -800.965536
where:
bonds (distance) C4'-P energy: -142.903
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -155.631
flat angles P-C4'-P energy: -113.995
tors. eta vs tors. theta energy: -253.116
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: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2641.183462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.618967 (E_RNA)
where:
Base-Base interactions energy: -1879.644
where: short stacking energy: -770.107
Base-Backbone interact. energy: -2.028
local terms energy: -769.947322
where:
bonds (distance) C4'-P energy: -125.088
bonds (distance) P-C4' energy: -134.922
flat angles C4'-P-C4' energy: -163.424
flat angles P-C4'-P energy: -115.138
tors. eta vs tors. theta energy: -231.375
Dist. restrs. and SS energy: 10.436 (S_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: 181
Temperature: 1.050000
Total energy: -2544.119492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.119492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.011713 (E_RNA)
where:
Base-Base interactions energy: -1810.333
where: short stacking energy: -720.991
Base-Backbone interact. energy: -2.511
local terms energy: -742.167395
where:
bonds (distance) C4'-P energy: -121.424
bonds (distance) P-C4' energy: -129.518
flat angles C4'-P-C4' energy: -161.610
flat angles P-C4'-P energy: -107.434
tors. eta vs tors. theta energy: -222.181
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2505.596143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.596143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.618172 (E_RNA)
where:
Base-Base interactions energy: -1781.301
where: short stacking energy: -715.878
Base-Backbone interact. energy: 0.582
local terms energy: -732.899142
where:
bonds (distance) C4'-P energy: -124.707
bonds (distance) P-C4' energy: -126.771
flat angles C4'-P-C4' energy: -157.407
flat angles P-C4'-P energy: -95.571
tors. eta vs tors. theta energy: -228.444
Dist. restrs. and SS energy: 8.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2430.514819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.514819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.723865 (E_RNA)
where:
Base-Base interactions energy: -1710.225
where: short stacking energy: -703.672
Base-Backbone interact. energy: -3.533
local terms energy: -728.965904
where:
bonds (distance) C4'-P energy: -130.373
bonds (distance) P-C4' energy: -129.437
flat angles C4'-P-C4' energy: -145.572
flat angles P-C4'-P energy: -109.305
tors. eta vs tors. theta energy: -214.278
Dist. restrs. and SS energy: 12.209 (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: 181
Temperature: 1.200000
Total energy: -2324.140911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.140911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.778181 (E_RNA)
where:
Base-Base interactions energy: -1675.046
where: short stacking energy: -661.241
Base-Backbone interact. energy: -2.801
local terms energy: -656.931330
where:
bonds (distance) C4'-P energy: -109.321
bonds (distance) P-C4' energy: -114.592
flat angles C4'-P-C4' energy: -144.135
flat angles P-C4'-P energy: -89.196
tors. eta vs tors. theta energy: -199.687
Dist. restrs. and SS energy: 10.637 (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: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2132.801525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.801525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.556666 (E_RNA)
where:
Base-Base interactions energy: -1495.087
where: short stacking energy: -622.700
Base-Backbone interact. energy: -1.535
local terms energy: -657.935304
where:
bonds (distance) C4'-P energy: -130.775
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -133.179
flat angles P-C4'-P energy: -80.074
tors. eta vs tors. theta energy: -190.722
Dist. restrs. and SS energy: 21.755 (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: 181
Temperature: 1.300000
Total energy: -2043.965155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.965155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.985455 (E_RNA)
where:
Base-Base interactions energy: -1451.428
where: short stacking energy: -587.671
Base-Backbone interact. energy: 2.240
local terms energy: -608.796665
where:
bonds (distance) C4'-P energy: -100.482
bonds (distance) P-C4' energy: -123.728
flat angles C4'-P-C4' energy: -128.838
flat angles P-C4'-P energy: -86.522
tors. eta vs tors. theta energy: -169.227
Dist. restrs. and SS energy: 14.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1991.454156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.454156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.125900 (E_RNA)
where:
Base-Base interactions energy: -1425.787
where: short stacking energy: -590.955
Base-Backbone interact. energy: -2.338
local terms energy: -583.001075
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -143.533
flat angles P-C4'-P energy: -77.244
tors. eta vs tors. theta energy: -173.886
Dist. restrs. and SS energy: 19.672 (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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2728.220791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.220791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.896588 (E_RNA)
where:
Base-Base interactions energy: -1915.713
where: short stacking energy: -786.590
Base-Backbone interact. energy: -3.046
local terms energy: -819.138251
where:
bonds (distance) C4'-P energy: -143.774
bonds (distance) P-C4' energy: -145.029
flat angles C4'-P-C4' energy: -164.917
flat angles P-C4'-P energy: -124.516
tors. eta vs tors. theta energy: -240.902
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: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2670.443052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.443052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.581309 (E_RNA)
where:
Base-Base interactions energy: -1884.038
where: short stacking energy: -776.400
Base-Backbone interact. energy: -2.792
local terms energy: -793.751391
where:
bonds (distance) C4'-P energy: -124.395
bonds (distance) P-C4' energy: -139.386
flat angles C4'-P-C4' energy: -169.977
flat angles P-C4'-P energy: -116.266
tors. eta vs tors. theta energy: -243.728
Dist. restrs. and SS energy: 10.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2642.761345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.761345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.050275 (E_RNA)
where:
Base-Base interactions energy: -1847.638
where: short stacking energy: -779.518
Base-Backbone interact. energy: -3.251
local terms energy: -803.161689
where:
bonds (distance) C4'-P energy: -130.682
bonds (distance) P-C4' energy: -145.943
flat angles C4'-P-C4' energy: -170.208
flat angles P-C4'-P energy: -107.906
tors. eta vs tors. theta energy: -248.423
Dist. restrs. and SS energy: 11.289 (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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2552.162094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.162094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.784721 (E_RNA)
where:
Base-Base interactions energy: -1822.789
where: short stacking energy: -736.067
Base-Backbone interact. energy: 0.434
local terms energy: -740.429468
where:
bonds (distance) C4'-P energy: -126.518
bonds (distance) P-C4' energy: -131.364
flat angles C4'-P-C4' energy: -145.340
flat angles P-C4'-P energy: -101.381
tors. eta vs tors. theta energy: -235.826
Dist. restrs. and SS energy: 10.623 (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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2528.124333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.124333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.187908 (E_RNA)
where:
Base-Base interactions energy: -1819.700
where: short stacking energy: -753.781
Base-Backbone interact. energy: -1.519
local terms energy: -713.969249
where:
bonds (distance) C4'-P energy: -116.292
bonds (distance) P-C4' energy: -124.003
flat angles C4'-P-C4' energy: -147.584
flat angles P-C4'-P energy: -87.059
tors. eta vs tors. theta energy: -239.031
Dist. restrs. and SS energy: 7.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2441.446302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.446302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.213446 (E_RNA)
where:
Base-Base interactions energy: -1749.537
where: short stacking energy: -698.645
Base-Backbone interact. energy: -2.481
local terms energy: -704.195919
where:
bonds (distance) C4'-P energy: -126.284
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -145.144
flat angles P-C4'-P energy: -88.874
tors. eta vs tors. theta energy: -227.496
Dist. restrs. and SS energy: 14.767 (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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2296.071155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.071155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.542922 (E_RNA)
where:
Base-Base interactions energy: -1618.394
where: short stacking energy: -661.331
Base-Backbone interact. energy: -2.277
local terms energy: -685.871728
where:
bonds (distance) C4'-P energy: -114.152
bonds (distance) P-C4' energy: -122.422
flat angles C4'-P-C4' energy: -148.058
flat angles P-C4'-P energy: -95.032
tors. eta vs tors. theta energy: -206.208
Dist. restrs. and SS energy: 10.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2141.741366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.741366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.538378 (E_RNA)
where:
Base-Base interactions energy: -1537.204
where: short stacking energy: -617.354
Base-Backbone interact. energy: -4.829
local terms energy: -621.505504
where:
bonds (distance) C4'-P energy: -126.995
bonds (distance) P-C4' energy: -118.607
flat angles C4'-P-C4' energy: -126.635
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -178.650
Dist. restrs. and SS energy: 21.797 (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: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -2025.211867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.211867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.609106 (E_RNA)
where:
Base-Base interactions energy: -1436.447
where: short stacking energy: -579.564
Base-Backbone interact. energy: 7.170
local terms energy: -618.331727
where:
bonds (distance) C4'-P energy: -118.700
bonds (distance) P-C4' energy: -113.974
flat angles C4'-P-C4' energy: -130.484
flat angles P-C4'-P energy: -86.053
tors. eta vs tors. theta energy: -169.121
Dist. restrs. and SS energy: 22.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1997.520022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.520022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.880080 (E_RNA)
where:
Base-Base interactions energy: -1439.964
where: short stacking energy: -578.282
Base-Backbone interact. energy: -2.488
local terms energy: -570.427708
where:
bonds (distance) C4'-P energy: -91.309
bonds (distance) P-C4' energy: -97.389
flat angles C4'-P-C4' energy: -132.646
flat angles P-C4'-P energy: -71.530
tors. eta vs tors. theta energy: -177.553
Dist. restrs. and SS energy: 15.360 (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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2741.379656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.379656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.464014 (E_RNA)
where:
Base-Base interactions energy: -1950.438
where: short stacking energy: -793.232
Base-Backbone interact. energy: -3.925
local terms energy: -795.101331
where:
bonds (distance) C4'-P energy: -137.236
bonds (distance) P-C4' energy: -130.678
flat angles C4'-P-C4' energy: -168.821
flat angles P-C4'-P energy: -111.937
tors. eta vs tors. theta energy: -246.430
Dist. restrs. and SS energy: 8.084 (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: 183
Temperature: 0.950000
Total energy: -2704.392561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.392561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.449099 (E_RNA)
where:
Base-Base interactions energy: -1907.871
where: short stacking energy: -783.474
Base-Backbone interact. energy: -1.298
local terms energy: -803.279713
where:
bonds (distance) C4'-P energy: -140.453
bonds (distance) P-C4' energy: -137.164
flat angles C4'-P-C4' energy: -171.473
flat angles P-C4'-P energy: -111.201
tors. eta vs tors. theta energy: -242.988
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: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2647.919969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.919969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.374186 (E_RNA)
where:
Base-Base interactions energy: -1876.027
where: short stacking energy: -772.089
Base-Backbone interact. energy: -1.816
local terms energy: -780.530745
where:
bonds (distance) C4'-P energy: -133.376
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -170.546
flat angles P-C4'-P energy: -106.292
tors. eta vs tors. theta energy: -237.007
Dist. restrs. and SS energy: 10.454 (S_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: 183
Temperature: 1.050000
Total energy: -2531.923642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.923642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.100919 (E_RNA)
where:
Base-Base interactions energy: -1814.397
where: short stacking energy: -727.110
Base-Backbone interact. energy: 2.219
local terms energy: -731.923395
where:
bonds (distance) C4'-P energy: -119.289
bonds (distance) P-C4' energy: -119.994
flat angles C4'-P-C4' energy: -162.717
flat angles P-C4'-P energy: -101.721
tors. eta vs tors. theta energy: -228.203
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: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2560.923560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.923560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.981163 (E_RNA)
where:
Base-Base interactions energy: -1819.716
where: short stacking energy: -723.153
Base-Backbone interact. energy: -0.891
local terms energy: -745.373810
where:
bonds (distance) C4'-P energy: -119.477
bonds (distance) P-C4' energy: -136.370
flat angles C4'-P-C4' energy: -150.823
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -238.225
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2416.392209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.392209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.814849 (E_RNA)
where:
Base-Base interactions energy: -1731.095
where: short stacking energy: -692.599
Base-Backbone interact. energy: -2.728
local terms energy: -696.991378
where:
bonds (distance) C4'-P energy: -95.001
bonds (distance) P-C4' energy: -129.170
flat angles C4'-P-C4' energy: -143.295
flat angles P-C4'-P energy: -106.516
tors. eta vs tors. theta energy: -223.010
Dist. restrs. and SS energy: 14.423 (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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2233.557861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.557861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.311103 (E_RNA)
where:
Base-Base interactions energy: -1589.560
where: short stacking energy: -629.163
Base-Backbone interact. energy: -0.358
local terms energy: -651.393036
where:
bonds (distance) C4'-P energy: -118.857
bonds (distance) P-C4' energy: -122.164
flat angles C4'-P-C4' energy: -137.847
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -183.604
Dist. restrs. and SS energy: 7.753 (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: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2207.457954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.457954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.602799 (E_RNA)
where:
Base-Base interactions energy: -1580.313
where: short stacking energy: -630.800
Base-Backbone interact. energy: -2.633
local terms energy: -640.656960
where:
bonds (distance) C4'-P energy: -105.297
bonds (distance) P-C4' energy: -106.375
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -99.763
tors. eta vs tors. theta energy: -192.199
Dist. restrs. and SS energy: 16.145 (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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -2023.722675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.722675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.683735 (E_RNA)
where:
Base-Base interactions energy: -1437.578
where: short stacking energy: -577.285
Base-Backbone interact. energy: 1.291
local terms energy: -606.396916
where:
bonds (distance) C4'-P energy: -106.599
bonds (distance) P-C4' energy: -136.213
flat angles C4'-P-C4' energy: -125.107
flat angles P-C4'-P energy: -77.621
tors. eta vs tors. theta energy: -160.857
Dist. restrs. and SS energy: 18.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -2033.889249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.889249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.949378 (E_RNA)
where:
Base-Base interactions energy: -1475.422
where: short stacking energy: -595.584
Base-Backbone interact. energy: 5.384
local terms energy: -579.911761
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -98.407
flat angles C4'-P-C4' energy: -132.944
flat angles P-C4'-P energy: -92.193
tors. eta vs tors. theta energy: -172.831
Dist. restrs. and SS energy: 16.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2740.383526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.383526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.126404 (E_RNA)
where:
Base-Base interactions energy: -1928.457
where: short stacking energy: -788.481
Base-Backbone interact. energy: -1.287
local terms energy: -820.382019
where:
bonds (distance) C4'-P energy: -145.391
bonds (distance) P-C4' energy: -150.533
flat angles C4'-P-C4' energy: -168.402
flat angles P-C4'-P energy: -109.196
tors. eta vs tors. theta energy: -246.860
Dist. restrs. and SS energy: 9.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2710.790927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.790927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.910452 (E_RNA)
where:
Base-Base interactions energy: -1908.040
where: short stacking energy: -798.078
Base-Backbone interact. energy: -1.964
local terms energy: -810.905966
where:
bonds (distance) C4'-P energy: -133.211
bonds (distance) P-C4' energy: -140.952
flat angles C4'-P-C4' energy: -165.362
flat angles P-C4'-P energy: -118.320
tors. eta vs tors. theta energy: -253.060
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: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2606.865285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.865285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.007531 (E_RNA)
where:
Base-Base interactions energy: -1835.406
where: short stacking energy: -754.032
Base-Backbone interact. energy: -6.253
local terms energy: -776.348711
where:
bonds (distance) C4'-P energy: -131.596
bonds (distance) P-C4' energy: -141.601
flat angles C4'-P-C4' energy: -164.111
flat angles P-C4'-P energy: -102.242
tors. eta vs tors. theta energy: -236.798
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: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2594.515221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.515221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.620007 (E_RNA)
where:
Base-Base interactions energy: -1836.233
where: short stacking energy: -743.011
Base-Backbone interact. energy: -2.852
local terms energy: -764.535267
where:
bonds (distance) C4'-P energy: -139.232
bonds (distance) P-C4' energy: -125.546
flat angles C4'-P-C4' energy: -166.720
flat angles P-C4'-P energy: -105.908
tors. eta vs tors. theta energy: -227.129
Dist. restrs. and SS energy: 9.105 (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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2539.662706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.662706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.679364 (E_RNA)
where:
Base-Base interactions energy: -1811.715
where: short stacking energy: -722.284
Base-Backbone interact. energy: -2.232
local terms energy: -732.732125
where:
bonds (distance) C4'-P energy: -125.267
bonds (distance) P-C4' energy: -128.113
flat angles C4'-P-C4' energy: -140.411
flat angles P-C4'-P energy: -103.722
tors. eta vs tors. theta energy: -235.219
Dist. restrs. and SS energy: 7.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2404.268744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.268744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.434709 (E_RNA)
where:
Base-Base interactions energy: -1724.196
where: short stacking energy: -694.170
Base-Backbone interact. energy: -3.448
local terms energy: -690.790418
where:
bonds (distance) C4'-P energy: -112.577
bonds (distance) P-C4' energy: -113.315
flat angles C4'-P-C4' energy: -157.788
flat angles P-C4'-P energy: -86.179
tors. eta vs tors. theta energy: -220.932
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: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2318.528673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.528673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.342361 (E_RNA)
where:
Base-Base interactions energy: -1649.016
where: short stacking energy: -661.899
Base-Backbone interact. energy: -0.064
local terms energy: -676.262863
where:
bonds (distance) C4'-P energy: -119.540
bonds (distance) P-C4' energy: -124.640
flat angles C4'-P-C4' energy: -145.733
flat angles P-C4'-P energy: -72.471
tors. eta vs tors. theta energy: -213.879
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: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2227.475201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.475201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.720610 (E_RNA)
where:
Base-Base interactions energy: -1604.819
where: short stacking energy: -630.498
Base-Backbone interact. energy: 0.398
local terms energy: -641.299821
where:
bonds (distance) C4'-P energy: -112.902
bonds (distance) P-C4' energy: -110.306
flat angles C4'-P-C4' energy: -138.501
flat angles P-C4'-P energy: -76.734
tors. eta vs tors. theta energy: -202.856
Dist. restrs. and SS energy: 18.245 (S_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: 184
Temperature: 1.300000
Total energy: -2055.431452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.431452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.706620 (E_RNA)
where:
Base-Base interactions energy: -1488.504
where: short stacking energy: -595.212
Base-Backbone interact. energy: 1.743
local terms energy: -583.945908
where:
bonds (distance) C4'-P energy: -95.839
bonds (distance) P-C4' energy: -96.689
flat angles C4'-P-C4' energy: -135.586
flat angles P-C4'-P energy: -83.329
tors. eta vs tors. theta energy: -172.504
Dist. restrs. and SS energy: 15.275 (S_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: 184
Temperature: 1.350000
Total energy: -1951.633720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.633720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.364192 (E_RNA)
where:
Base-Base interactions energy: -1404.364
where: short stacking energy: -559.766
Base-Backbone interact. energy: 0.767
local terms energy: -573.767257
where:
bonds (distance) C4'-P energy: -91.425
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -133.954
flat angles P-C4'-P energy: -71.618
tors. eta vs tors. theta energy: -165.171
Dist. restrs. and SS energy: 25.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2741.655828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.655828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.744263 (E_RNA)
where:
Base-Base interactions energy: -1934.725
where: short stacking energy: -789.254
Base-Backbone interact. energy: -3.697
local terms energy: -815.322026
where:
bonds (distance) C4'-P energy: -127.345
bonds (distance) P-C4' energy: -144.320
flat angles C4'-P-C4' energy: -169.010
flat angles P-C4'-P energy: -130.187
tors. eta vs tors. theta energy: -244.460
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: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2646.557767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.557767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.285975 (E_RNA)
where:
Base-Base interactions energy: -1896.368
where: short stacking energy: -802.012
Base-Backbone interact. energy: -2.242
local terms energy: -758.675246
where:
bonds (distance) C4'-P energy: -127.289
bonds (distance) P-C4' energy: -125.079
flat angles C4'-P-C4' energy: -159.689
flat angles P-C4'-P energy: -103.883
tors. eta vs tors. theta energy: -242.735
Dist. restrs. and SS energy: 10.728 (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: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2638.022119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.022119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.751580 (E_RNA)
where:
Base-Base interactions energy: -1868.513
where: short stacking energy: -752.357
Base-Backbone interact. energy: -3.421
local terms energy: -774.817276
where:
bonds (distance) C4'-P energy: -146.818
bonds (distance) P-C4' energy: -124.516
flat angles C4'-P-C4' energy: -150.676
flat angles P-C4'-P energy: -112.415
tors. eta vs tors. theta energy: -240.393
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: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2566.157995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.157995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.198683 (E_RNA)
where:
Base-Base interactions energy: -1827.347
where: short stacking energy: -731.424
Base-Backbone interact. energy: -1.265
local terms energy: -744.587283
where:
bonds (distance) C4'-P energy: -104.505
bonds (distance) P-C4' energy: -133.070
flat angles C4'-P-C4' energy: -163.780
flat angles P-C4'-P energy: -111.350
tors. eta vs tors. theta energy: -231.882
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: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2501.891353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.891353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.042220 (E_RNA)
where:
Base-Base interactions energy: -1787.483
where: short stacking energy: -720.841
Base-Backbone interact. energy: -1.534
local terms energy: -725.024795
where:
bonds (distance) C4'-P energy: -130.534
bonds (distance) P-C4' energy: -123.546
flat angles C4'-P-C4' energy: -149.585
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -228.036
Dist. restrs. and SS energy: 12.151 (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: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2436.824654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.824654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.575088 (E_RNA)
where:
Base-Base interactions energy: -1732.884
where: short stacking energy: -715.065
Base-Backbone interact. energy: -1.449
local terms energy: -713.241789
where:
bonds (distance) C4'-P energy: -87.114
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -156.693
flat angles P-C4'-P energy: -105.476
tors. eta vs tors. theta energy: -237.522
Dist. restrs. and SS energy: 10.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2302.596695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.596695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.616169 (E_RNA)
where:
Base-Base interactions energy: -1599.837
where: short stacking energy: -653.455
Base-Backbone interact. energy: -1.061
local terms energy: -707.717411
where:
bonds (distance) C4'-P energy: -121.734
bonds (distance) P-C4' energy: -125.676
flat angles C4'-P-C4' energy: -149.628
flat angles P-C4'-P energy: -101.521
tors. eta vs tors. theta energy: -209.158
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: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2163.141258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.141258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.765437 (E_RNA)
where:
Base-Base interactions energy: -1561.378
where: short stacking energy: -634.415
Base-Backbone interact. energy: 0.598
local terms energy: -623.985429
where:
bonds (distance) C4'-P energy: -118.940
bonds (distance) P-C4' energy: -109.433
flat angles C4'-P-C4' energy: -136.163
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -179.520
Dist. restrs. and SS energy: 21.624 (S_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: 185
Temperature: 1.300000
Total energy: -2057.696862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.696862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.471401 (E_RNA)
where:
Base-Base interactions energy: -1447.996
where: short stacking energy: -581.089
Base-Backbone interact. energy: 0.157
local terms energy: -628.631499
where:
bonds (distance) C4'-P energy: -105.468
bonds (distance) P-C4' energy: -130.885
flat angles C4'-P-C4' energy: -136.582
flat angles P-C4'-P energy: -78.064
tors. eta vs tors. theta energy: -177.632
Dist. restrs. and SS energy: 18.775 (S_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: 185
Temperature: 1.350000
Total energy: -1994.354371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.354371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.563663 (E_RNA)
where:
Base-Base interactions energy: -1419.832
where: short stacking energy: -569.915
Base-Backbone interact. energy: -0.306
local terms energy: -603.426019
where:
bonds (distance) C4'-P energy: -103.718
bonds (distance) P-C4' energy: -99.763
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -87.964
tors. eta vs tors. theta energy: -172.682
Dist. restrs. and SS energy: 29.209 (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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2753.779957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.779957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.271116 (E_RNA)
where:
Base-Base interactions energy: -1943.716
where: short stacking energy: -813.036
Base-Backbone interact. energy: -3.884
local terms energy: -816.670922
where:
bonds (distance) C4'-P energy: -130.207
bonds (distance) P-C4' energy: -152.652
flat angles C4'-P-C4' energy: -167.425
flat angles P-C4'-P energy: -112.283
tors. eta vs tors. theta energy: -254.105
Dist. restrs. and SS energy: 10.491 (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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2665.713454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.713454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.372997 (E_RNA)
where:
Base-Base interactions energy: -1867.290
where: short stacking energy: -781.784
Base-Backbone interact. energy: -2.767
local terms energy: -805.316894
where:
bonds (distance) C4'-P energy: -140.209
bonds (distance) P-C4' energy: -139.071
flat angles C4'-P-C4' energy: -167.154
flat angles P-C4'-P energy: -115.002
tors. eta vs tors. theta energy: -243.881
Dist. restrs. and SS energy: 9.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2619.239579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.239579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.973419 (E_RNA)
where:
Base-Base interactions energy: -1847.293
where: short stacking energy: -730.319
Base-Backbone interact. energy: -2.257
local terms energy: -777.423013
where:
bonds (distance) C4'-P energy: -136.815
bonds (distance) P-C4' energy: -134.564
flat angles C4'-P-C4' energy: -162.586
flat angles P-C4'-P energy: -94.420
tors. eta vs tors. theta energy: -249.038
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2549.580726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.580726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.266627 (E_RNA)
where:
Base-Base interactions energy: -1816.116
where: short stacking energy: -709.728
Base-Backbone interact. energy: -0.021
local terms energy: -738.130075
where:
bonds (distance) C4'-P energy: -131.611
bonds (distance) P-C4' energy: -127.971
flat angles C4'-P-C4' energy: -155.929
flat angles P-C4'-P energy: -98.051
tors. eta vs tors. theta energy: -224.568
Dist. restrs. and SS energy: 4.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2446.488186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.488186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.732128 (E_RNA)
where:
Base-Base interactions energy: -1736.511
where: short stacking energy: -706.047
Base-Backbone interact. energy: -1.268
local terms energy: -718.952735
where:
bonds (distance) C4'-P energy: -137.729
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -144.300
flat angles P-C4'-P energy: -103.116
tors. eta vs tors. theta energy: -219.445
Dist. restrs. and SS energy: 10.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2400.610027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.610027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.733331 (E_RNA)
where:
Base-Base interactions energy: -1713.614
where: short stacking energy: -714.846
Base-Backbone interact. energy: -2.662
local terms energy: -694.457733
where:
bonds (distance) C4'-P energy: -122.942
bonds (distance) P-C4' energy: -116.040
flat angles C4'-P-C4' energy: -151.155
flat angles P-C4'-P energy: -93.872
tors. eta vs tors. theta energy: -210.449
Dist. restrs. and SS energy: 10.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2300.865895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.865895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.518438 (E_RNA)
where:
Base-Base interactions energy: -1639.319
where: short stacking energy: -668.849
Base-Backbone interact. energy: -1.701
local terms energy: -663.498074
where:
bonds (distance) C4'-P energy: -110.956
bonds (distance) P-C4' energy: -107.537
flat angles C4'-P-C4' energy: -136.147
flat angles P-C4'-P energy: -94.684
tors. eta vs tors. theta energy: -214.174
Dist. restrs. and SS energy: 3.653 (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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2175.758603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.758603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.229455 (E_RNA)
where:
Base-Base interactions energy: -1549.743
where: short stacking energy: -637.682
Base-Backbone interact. energy: -0.629
local terms energy: -642.857579
where:
bonds (distance) C4'-P energy: -111.600
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -156.257
flat angles P-C4'-P energy: -83.530
tors. eta vs tors. theta energy: -183.919
Dist. restrs. and SS energy: 17.471 (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: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -2095.017935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.017935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.757692 (E_RNA)
where:
Base-Base interactions energy: -1518.630
where: short stacking energy: -615.654
Base-Backbone interact. energy: -1.269
local terms energy: -594.858162
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -90.290
flat angles C4'-P-C4' energy: -139.788
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -175.340
Dist. restrs. and SS energy: 19.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -2001.155713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.155713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.344516 (E_RNA)
where:
Base-Base interactions energy: -1419.810
where: short stacking energy: -564.930
Base-Backbone interact. energy: 0.940
local terms energy: -604.475242
where:
bonds (distance) C4'-P energy: -107.740
bonds (distance) P-C4' energy: -115.617
flat angles C4'-P-C4' energy: -129.590
flat angles P-C4'-P energy: -89.073
tors. eta vs tors. theta energy: -162.455
Dist. restrs. and SS energy: 22.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2766.484771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.484771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.132536 (E_RNA)
where:
Base-Base interactions energy: -1979.899
where: short stacking energy: -807.878
Base-Backbone interact. energy: -2.215
local terms energy: -795.018534
where:
bonds (distance) C4'-P energy: -139.760
bonds (distance) P-C4' energy: -140.593
flat angles C4'-P-C4' energy: -165.086
flat angles P-C4'-P energy: -107.814
tors. eta vs tors. theta energy: -241.766
Dist. restrs. and SS energy: 10.648 (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: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2702.656661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.656661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.246617 (E_RNA)
where:
Base-Base interactions energy: -1912.133
where: short stacking energy: -794.655
Base-Backbone interact. energy: -3.140
local terms energy: -795.973851
where:
bonds (distance) C4'-P energy: -127.003
bonds (distance) P-C4' energy: -146.137
flat angles C4'-P-C4' energy: -165.743
flat angles P-C4'-P energy: -111.826
tors. eta vs tors. theta energy: -245.265
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2618.155565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.155565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.291103 (E_RNA)
where:
Base-Base interactions energy: -1838.693
where: short stacking energy: -783.437
Base-Backbone interact. energy: -3.017
local terms energy: -787.581174
where:
bonds (distance) C4'-P energy: -129.316
bonds (distance) P-C4' energy: -126.029
flat angles C4'-P-C4' energy: -169.073
flat angles P-C4'-P energy: -116.800
tors. eta vs tors. theta energy: -246.363
Dist. restrs. and SS energy: 11.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2555.136067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.136067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.586329 (E_RNA)
where:
Base-Base interactions energy: -1806.532
where: short stacking energy: -738.516
Base-Backbone interact. energy: 0.266
local terms energy: -753.319811
where:
bonds (distance) C4'-P energy: -128.939
bonds (distance) P-C4' energy: -150.491
flat angles C4'-P-C4' energy: -144.613
flat angles P-C4'-P energy: -99.308
tors. eta vs tors. theta energy: -229.969
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2445.966739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.966739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.275783 (E_RNA)
where:
Base-Base interactions energy: -1738.837
where: short stacking energy: -705.045
Base-Backbone interact. energy: -2.008
local terms energy: -720.430597
where:
bonds (distance) C4'-P energy: -116.950
bonds (distance) P-C4' energy: -124.525
flat angles C4'-P-C4' energy: -148.499
flat angles P-C4'-P energy: -113.089
tors. eta vs tors. theta energy: -217.368
Dist. restrs. and SS energy: 15.309 (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: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2452.111460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.111460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.781067 (E_RNA)
where:
Base-Base interactions energy: -1779.880
where: short stacking energy: -707.899
Base-Backbone interact. energy: -1.043
local terms energy: -682.858294
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -116.944
flat angles C4'-P-C4' energy: -134.077
flat angles P-C4'-P energy: -106.195
tors. eta vs tors. theta energy: -206.788
Dist. restrs. and SS energy: 11.670 (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: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2297.706250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.706250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.108817 (E_RNA)
where:
Base-Base interactions energy: -1633.622
where: short stacking energy: -659.754
Base-Backbone interact. energy: -2.041
local terms energy: -666.446012
where:
bonds (distance) C4'-P energy: -111.299
bonds (distance) P-C4' energy: -109.965
flat angles C4'-P-C4' energy: -147.023
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -207.096
Dist. restrs. and SS energy: 4.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2137.464259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.464259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.197973 (E_RNA)
where:
Base-Base interactions energy: -1522.035
where: short stacking energy: -622.986
Base-Backbone interact. energy: 2.091
local terms energy: -633.254439
where:
bonds (distance) C4'-P energy: -102.149
bonds (distance) P-C4' energy: -112.574
flat angles C4'-P-C4' energy: -137.952
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -196.885
Dist. restrs. and SS energy: 15.734 (S_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: 187
Temperature: 1.300000
Total energy: -2082.114841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.114841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.305382 (E_RNA)
where:
Base-Base interactions energy: -1485.901
where: short stacking energy: -598.724
Base-Backbone interact. energy: 4.765
local terms energy: -621.170178
where:
bonds (distance) C4'-P energy: -111.075
bonds (distance) P-C4' energy: -117.370
flat angles C4'-P-C4' energy: -126.527
flat angles P-C4'-P energy: -96.157
tors. eta vs tors. theta energy: -170.042
Dist. restrs. and SS energy: 20.191 (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: 187
Temperature: 1.350000
Total energy: -1943.509208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.509208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.566158 (E_RNA)
where:
Base-Base interactions energy: -1397.407
where: short stacking energy: -560.011
Base-Backbone interact. energy: -3.489
local terms energy: -565.670018
where:
bonds (distance) C4'-P energy: -97.938
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -113.493
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -158.304
Dist. restrs. and SS energy: 23.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2770.579956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.579956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.974297 (E_RNA)
where:
Base-Base interactions energy: -1955.433
where: short stacking energy: -799.574
Base-Backbone interact. energy: -0.283
local terms energy: -823.257574
where:
bonds (distance) C4'-P energy: -141.741
bonds (distance) P-C4' energy: -141.985
flat angles C4'-P-C4' energy: -169.071
flat angles P-C4'-P energy: -119.416
tors. eta vs tors. theta energy: -251.044
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: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2681.680188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.680188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.883556 (E_RNA)
where:
Base-Base interactions energy: -1877.665
where: short stacking energy: -761.288
Base-Backbone interact. energy: 0.101
local terms energy: -817.319928
where:
bonds (distance) C4'-P energy: -144.810
bonds (distance) P-C4' energy: -148.743
flat angles C4'-P-C4' energy: -163.845
flat angles P-C4'-P energy: -114.153
tors. eta vs tors. theta energy: -245.769
Dist. restrs. and SS energy: 13.203 (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: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2604.955495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.955495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.541073 (E_RNA)
where:
Base-Base interactions energy: -1838.614
where: short stacking energy: -765.873
Base-Backbone interact. energy: -1.958
local terms energy: -776.969385
where:
bonds (distance) C4'-P energy: -130.795
bonds (distance) P-C4' energy: -135.600
flat angles C4'-P-C4' energy: -155.947
flat angles P-C4'-P energy: -109.893
tors. eta vs tors. theta energy: -244.735
Dist. restrs. and SS energy: 12.586 (S_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: 188
Temperature: 1.050000
Total energy: -2580.419343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.419343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.368837 (E_RNA)
where:
Base-Base interactions energy: -1841.810
where: short stacking energy: -749.461
Base-Backbone interact. energy: 5.829
local terms energy: -750.388180
where:
bonds (distance) C4'-P energy: -119.684
bonds (distance) P-C4' energy: -146.920
flat angles C4'-P-C4' energy: -149.474
flat angles P-C4'-P energy: -90.041
tors. eta vs tors. theta energy: -244.269
Dist. restrs. and SS energy: 5.949 (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: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2512.929081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.929081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.833491 (E_RNA)
where:
Base-Base interactions energy: -1814.262
where: short stacking energy: -727.773
Base-Backbone interact. energy: -3.094
local terms energy: -706.477546
where:
bonds (distance) C4'-P energy: -116.552
bonds (distance) P-C4' energy: -105.942
flat angles C4'-P-C4' energy: -141.956
flat angles P-C4'-P energy: -110.359
tors. eta vs tors. theta energy: -231.669
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: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2402.133594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.133594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.184147 (E_RNA)
where:
Base-Base interactions energy: -1726.412
where: short stacking energy: -703.331
Base-Backbone interact. energy: 0.597
local terms energy: -691.369624
where:
bonds (distance) C4'-P energy: -102.108
bonds (distance) P-C4' energy: -130.685
flat angles C4'-P-C4' energy: -141.999
flat angles P-C4'-P energy: -96.348
tors. eta vs tors. theta energy: -220.229
Dist. restrs. and SS energy: 15.051 (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: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2333.166973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.035242 (E_RNA)
where:
Base-Base interactions energy: -1664.317
where: short stacking energy: -670.385
Base-Backbone interact. energy: 2.867
local terms energy: -675.584617
where:
bonds (distance) C4'-P energy: -116.749
bonds (distance) P-C4' energy: -110.463
flat angles C4'-P-C4' energy: -147.374
flat angles P-C4'-P energy: -82.049
tors. eta vs tors. theta energy: -218.949
Dist. restrs. and SS energy: 3.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2173.374613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.374613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.951770 (E_RNA)
where:
Base-Base interactions energy: -1533.773
where: short stacking energy: -621.288
Base-Backbone interact. energy: -1.919
local terms energy: -660.260007
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -121.316
flat angles C4'-P-C4' energy: -136.004
flat angles P-C4'-P energy: -82.812
tors. eta vs tors. theta energy: -195.337
Dist. restrs. and SS energy: 22.577 (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: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -2059.026781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.026781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.828063 (E_RNA)
where:
Base-Base interactions energy: -1458.170
where: short stacking energy: -589.587
Base-Backbone interact. energy: -1.523
local terms energy: -625.134481
where:
bonds (distance) C4'-P energy: -122.247
bonds (distance) P-C4' energy: -103.426
flat angles C4'-P-C4' energy: -137.398
flat angles P-C4'-P energy: -84.248
tors. eta vs tors. theta energy: -177.815
Dist. restrs. and SS energy: 25.801 (S_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: 188
Temperature: 1.350000
Total energy: -2000.129491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.129491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.077137 (E_RNA)
where:
Base-Base interactions energy: -1433.253
where: short stacking energy: -575.696
Base-Backbone interact. energy: 0.932
local terms energy: -582.756157
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -97.532
flat angles C4'-P-C4' energy: -134.374
flat angles P-C4'-P energy: -90.707
tors. eta vs tors. theta energy: -161.260
Dist. restrs. and SS energy: 14.948 (S_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: 189
Temperature: 0.900000
Total energy: -2756.551390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.551390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.303247 (E_RNA)
where:
Base-Base interactions energy: -1959.321
where: short stacking energy: -807.020
Base-Backbone interact. energy: -3.203
local terms energy: -804.778982
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -146.145
flat angles C4'-P-C4' energy: -170.669
flat angles P-C4'-P energy: -114.439
tors. eta vs tors. theta energy: -252.133
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: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2701.272070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.272070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.863424 (E_RNA)
where:
Base-Base interactions energy: -1909.722
where: short stacking energy: -769.516
Base-Backbone interact. energy: 0.821
local terms energy: -803.961568
where:
bonds (distance) C4'-P energy: -150.108
bonds (distance) P-C4' energy: -142.186
flat angles C4'-P-C4' energy: -165.568
flat angles P-C4'-P energy: -106.127
tors. eta vs tors. theta energy: -239.973
Dist. restrs. and SS energy: 11.591 (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: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2594.998994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.998994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.404260 (E_RNA)
where:
Base-Base interactions energy: -1829.099
where: short stacking energy: -736.357
Base-Backbone interact. energy: -2.433
local terms energy: -772.871593
where:
bonds (distance) C4'-P energy: -136.786
bonds (distance) P-C4' energy: -130.873
flat angles C4'-P-C4' energy: -168.221
flat angles P-C4'-P energy: -106.148
tors. eta vs tors. theta energy: -230.843
Dist. restrs. and SS energy: 9.405 (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: 189
Temperature: 1.050000
Total energy: -2584.441069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.441069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.038765 (E_RNA)
where:
Base-Base interactions energy: -1867.683
where: short stacking energy: -777.678
Base-Backbone interact. energy: -1.495
local terms energy: -725.861414
where:
bonds (distance) C4'-P energy: -129.095
bonds (distance) P-C4' energy: -109.111
flat angles C4'-P-C4' energy: -154.712
flat angles P-C4'-P energy: -87.304
tors. eta vs tors. theta energy: -245.639
Dist. restrs. and SS energy: 10.598 (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: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2485.096426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.096426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.620076 (E_RNA)
where:
Base-Base interactions energy: -1762.110
where: short stacking energy: -705.504
Base-Backbone interact. energy: -3.345
local terms energy: -732.164697
where:
bonds (distance) C4'-P energy: -123.084
bonds (distance) P-C4' energy: -131.265
flat angles C4'-P-C4' energy: -162.707
flat angles P-C4'-P energy: -102.719
tors. eta vs tors. theta energy: -212.389
Dist. restrs. and SS energy: 12.524 (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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2391.602881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.602881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.344054 (E_RNA)
where:
Base-Base interactions energy: -1723.250
where: short stacking energy: -706.159
Base-Backbone interact. energy: -1.944
local terms energy: -673.149924
where:
bonds (distance) C4'-P energy: -92.062
bonds (distance) P-C4' energy: -121.152
flat angles C4'-P-C4' energy: -146.647
flat angles P-C4'-P energy: -90.922
tors. eta vs tors. theta energy: -222.367
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: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2313.535835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.535835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.792309 (E_RNA)
where:
Base-Base interactions energy: -1658.628
where: short stacking energy: -640.929
Base-Backbone interact. energy: -2.849
local terms energy: -665.315126
where:
bonds (distance) C4'-P energy: -129.227
bonds (distance) P-C4' energy: -109.935
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -86.017
tors. eta vs tors. theta energy: -200.036
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: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2210.469333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.469333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.106388 (E_RNA)
where:
Base-Base interactions energy: -1585.335
where: short stacking energy: -648.335
Base-Backbone interact. energy: 4.514
local terms energy: -648.284822
where:
bonds (distance) C4'-P energy: -107.985
bonds (distance) P-C4' energy: -125.403
flat angles C4'-P-C4' energy: -145.528
flat angles P-C4'-P energy: -90.455
tors. eta vs tors. theta energy: -178.914
Dist. restrs. and SS energy: 18.637 (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: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -2048.957821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.957821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.308273 (E_RNA)
where:
Base-Base interactions energy: -1493.954
where: short stacking energy: -611.093
Base-Backbone interact. energy: 0.108
local terms energy: -574.462467
where:
bonds (distance) C4'-P energy: -112.026
bonds (distance) P-C4' energy: -79.680
flat angles C4'-P-C4' energy: -118.491
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -180.709
Dist. restrs. and SS energy: 19.350 (S_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: 189
Temperature: 1.350000
Total energy: -2006.042838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.042838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.488736 (E_RNA)
where:
Base-Base interactions energy: -1431.867
where: short stacking energy: -567.187
Base-Backbone interact. energy: 1.806
local terms energy: -592.426885
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -106.621
flat angles C4'-P-C4' energy: -152.097
flat angles P-C4'-P energy: -68.855
tors. eta vs tors. theta energy: -159.310
Dist. restrs. and SS energy: 16.446 (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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2759.974962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.974962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.651420 (E_RNA)
where:
Base-Base interactions energy: -1952.173
where: short stacking energy: -808.538
Base-Backbone interact. energy: -2.456
local terms energy: -815.022312
where:
bonds (distance) C4'-P energy: -139.015
bonds (distance) P-C4' energy: -139.056
flat angles C4'-P-C4' energy: -164.425
flat angles P-C4'-P energy: -120.820
tors. eta vs tors. theta energy: -251.706
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2666.121193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.121193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.077307 (E_RNA)
where:
Base-Base interactions energy: -1904.608
where: short stacking energy: -764.764
Base-Backbone interact. energy: -2.062
local terms energy: -770.406587
where:
bonds (distance) C4'-P energy: -130.433
bonds (distance) P-C4' energy: -133.736
flat angles C4'-P-C4' energy: -154.430
flat angles P-C4'-P energy: -107.371
tors. eta vs tors. theta energy: -244.437
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: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2645.892234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.892234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.324258 (E_RNA)
where:
Base-Base interactions energy: -1882.981
where: short stacking energy: -760.939
Base-Backbone interact. energy: -0.246
local terms energy: -769.097912
where:
bonds (distance) C4'-P energy: -147.689
bonds (distance) P-C4' energy: -125.534
flat angles C4'-P-C4' energy: -159.474
flat angles P-C4'-P energy: -112.797
tors. eta vs tors. theta energy: -223.605
Dist. restrs. and SS energy: 6.432 (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: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2547.908349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.908349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.223146 (E_RNA)
where:
Base-Base interactions energy: -1777.134
where: short stacking energy: -716.370
Base-Backbone interact. energy: -3.353
local terms energy: -779.735719
where:
bonds (distance) C4'-P energy: -131.429
bonds (distance) P-C4' energy: -146.172
flat angles C4'-P-C4' energy: -158.261
flat angles P-C4'-P energy: -107.201
tors. eta vs tors. theta energy: -236.673
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: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2495.185980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.185980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.674395 (E_RNA)
where:
Base-Base interactions energy: -1775.971
where: short stacking energy: -736.793
Base-Backbone interact. energy: -0.090
local terms energy: -730.613013
where:
bonds (distance) C4'-P energy: -114.558
bonds (distance) P-C4' energy: -123.786
flat angles C4'-P-C4' energy: -148.490
flat angles P-C4'-P energy: -117.835
tors. eta vs tors. theta energy: -225.944
Dist. restrs. and SS energy: 11.488 (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: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2409.198054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.198054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.821593 (E_RNA)
where:
Base-Base interactions energy: -1698.490
where: short stacking energy: -689.547
Base-Backbone interact. energy: -1.152
local terms energy: -713.180408
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -125.835
flat angles C4'-P-C4' energy: -153.329
flat angles P-C4'-P energy: -112.157
tors. eta vs tors. theta energy: -204.884
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: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2327.087277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.087277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.588283 (E_RNA)
where:
Base-Base interactions energy: -1657.187
where: short stacking energy: -672.061
Base-Backbone interact. energy: -3.672
local terms energy: -676.729130
where:
bonds (distance) C4'-P energy: -107.410
bonds (distance) P-C4' energy: -113.740
flat angles C4'-P-C4' energy: -139.794
flat angles P-C4'-P energy: -106.939
tors. eta vs tors. theta energy: -208.846
Dist. restrs. and SS energy: 10.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2173.516894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.516894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.314296 (E_RNA)
where:
Base-Base interactions energy: -1562.097
where: short stacking energy: -627.063
Base-Backbone interact. energy: 4.068
local terms energy: -639.285234
where:
bonds (distance) C4'-P energy: -101.309
bonds (distance) P-C4' energy: -124.670
flat angles C4'-P-C4' energy: -123.143
flat angles P-C4'-P energy: -89.414
tors. eta vs tors. theta energy: -200.749
Dist. restrs. and SS energy: 23.797 (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: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -2077.743388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.743388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.396237 (E_RNA)
where:
Base-Base interactions energy: -1476.846
where: short stacking energy: -588.591
Base-Backbone interact. energy: 0.505
local terms energy: -626.055685
where:
bonds (distance) C4'-P energy: -116.683
bonds (distance) P-C4' energy: -114.386
flat angles C4'-P-C4' energy: -135.927
flat angles P-C4'-P energy: -73.785
tors. eta vs tors. theta energy: -185.274
Dist. restrs. and SS energy: 24.653 (S_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: 190
Temperature: 1.350000
Total energy: -1917.304732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.304732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.667664 (E_RNA)
where:
Base-Base interactions energy: -1365.860
where: short stacking energy: -530.115
Base-Backbone interact. energy: 6.189
local terms energy: -572.996720
where:
bonds (distance) C4'-P energy: -111.569
bonds (distance) P-C4' energy: -102.573
flat angles C4'-P-C4' energy: -128.614
flat angles P-C4'-P energy: -71.033
tors. eta vs tors. theta energy: -159.208
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: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2758.956507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.956507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.928517 (E_RNA)
where:
Base-Base interactions energy: -1926.193
where: short stacking energy: -785.732
Base-Backbone interact. energy: -0.924
local terms energy: -840.811815
where:
bonds (distance) C4'-P energy: -148.114
bonds (distance) P-C4' energy: -141.678
flat angles C4'-P-C4' energy: -170.768
flat angles P-C4'-P energy: -126.730
tors. eta vs tors. theta energy: -253.522
Dist. restrs. and SS energy: 8.972 (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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2684.590370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.590370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.218403 (E_RNA)
where:
Base-Base interactions energy: -1897.488
where: short stacking energy: -772.976
Base-Backbone interact. energy: -2.762
local terms energy: -793.968475
where:
bonds (distance) C4'-P energy: -143.102
bonds (distance) P-C4' energy: -131.670
flat angles C4'-P-C4' energy: -171.839
flat angles P-C4'-P energy: -104.312
tors. eta vs tors. theta energy: -243.046
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: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2624.142327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.142327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.189177 (E_RNA)
where:
Base-Base interactions energy: -1881.280
where: short stacking energy: -770.616
Base-Backbone interact. energy: -1.830
local terms energy: -749.079413
where:
bonds (distance) C4'-P energy: -126.652
bonds (distance) P-C4' energy: -121.970
flat angles C4'-P-C4' energy: -157.133
flat angles P-C4'-P energy: -110.894
tors. eta vs tors. theta energy: -232.430
Dist. restrs. and SS energy: 8.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2533.394160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.394160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.173436 (E_RNA)
where:
Base-Base interactions energy: -1792.842
where: short stacking energy: -735.796
Base-Backbone interact. energy: -1.594
local terms energy: -750.737371
where:
bonds (distance) C4'-P energy: -132.209
bonds (distance) P-C4' energy: -124.812
flat angles C4'-P-C4' energy: -154.102
flat angles P-C4'-P energy: -109.503
tors. eta vs tors. theta energy: -230.111
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: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2499.003378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.003378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.406019 (E_RNA)
where:
Base-Base interactions energy: -1764.594
where: short stacking energy: -724.883
Base-Backbone interact. energy: -3.816
local terms energy: -739.995961
where:
bonds (distance) C4'-P energy: -131.398
bonds (distance) P-C4' energy: -133.689
flat angles C4'-P-C4' energy: -155.158
flat angles P-C4'-P energy: -96.017
tors. eta vs tors. theta energy: -223.734
Dist. restrs. and SS energy: 9.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2399.880174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.880174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.923667 (E_RNA)
where:
Base-Base interactions energy: -1707.095
where: short stacking energy: -683.947
Base-Backbone interact. energy: 1.707
local terms energy: -697.535629
where:
bonds (distance) C4'-P energy: -128.785
bonds (distance) P-C4' energy: -121.058
flat angles C4'-P-C4' energy: -147.792
flat angles P-C4'-P energy: -99.970
tors. eta vs tors. theta energy: -199.931
Dist. restrs. and SS energy: 3.043 (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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2326.895412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.895412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.369081 (E_RNA)
where:
Base-Base interactions energy: -1666.516
where: short stacking energy: -666.855
Base-Backbone interact. energy: -0.246
local terms energy: -673.607287
where:
bonds (distance) C4'-P energy: -92.714
bonds (distance) P-C4' energy: -119.447
flat angles C4'-P-C4' energy: -144.099
flat angles P-C4'-P energy: -99.456
tors. eta vs tors. theta energy: -217.891
Dist. restrs. and SS energy: 13.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2145.994824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.994824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.016889 (E_RNA)
where:
Base-Base interactions energy: -1561.839
where: short stacking energy: -638.127
Base-Backbone interact. energy: -2.278
local terms energy: -597.900208
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -140.131
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: -191.348
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: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -2036.239760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.239760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.227867 (E_RNA)
where:
Base-Base interactions energy: -1444.961
where: short stacking energy: -554.509
Base-Backbone interact. energy: -1.513
local terms energy: -609.753546
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -100.237
flat angles C4'-P-C4' energy: -141.727
flat angles P-C4'-P energy: -90.201
tors. eta vs tors. theta energy: -170.402
Dist. restrs. and SS energy: 19.988 (S_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: 191
Temperature: 1.350000
Total energy: -1925.710901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.710901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.538931 (E_RNA)
where:
Base-Base interactions energy: -1388.371
where: short stacking energy: -567.652
Base-Backbone interact. energy: 0.525
local terms energy: -557.692807
where:
bonds (distance) C4'-P energy: -86.692
bonds (distance) P-C4' energy: -109.640
flat angles C4'-P-C4' energy: -128.627
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -151.041
Dist. restrs. and SS energy: 19.828 (S_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: 192
Temperature: 0.900000
Total energy: -2775.104629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.104629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.368087 (E_RNA)
where:
Base-Base interactions energy: -1951.186
where: short stacking energy: -822.166
Base-Backbone interact. energy: 0.805
local terms energy: -833.986915
where:
bonds (distance) C4'-P energy: -146.830
bonds (distance) P-C4' energy: -145.106
flat angles C4'-P-C4' energy: -177.093
flat angles P-C4'-P energy: -114.533
tors. eta vs tors. theta energy: -250.426
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: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2678.511529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.511529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.185532 (E_RNA)
where:
Base-Base interactions energy: -1902.192
where: short stacking energy: -764.687
Base-Backbone interact. energy: -1.068
local terms energy: -790.925539
where:
bonds (distance) C4'-P energy: -138.561
bonds (distance) P-C4' energy: -139.628
flat angles C4'-P-C4' energy: -166.719
flat angles P-C4'-P energy: -107.510
tors. eta vs tors. theta energy: -238.507
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: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2639.045642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.045642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.660262 (E_RNA)
where:
Base-Base interactions energy: -1872.716
where: short stacking energy: -761.606
Base-Backbone interact. energy: -2.439
local terms energy: -768.505048
where:
bonds (distance) C4'-P energy: -126.497
bonds (distance) P-C4' energy: -125.956
flat angles C4'-P-C4' energy: -165.878
flat angles P-C4'-P energy: -110.686
tors. eta vs tors. theta energy: -239.487
Dist. restrs. and SS energy: 4.615 (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: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2576.408589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.408589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.022422 (E_RNA)
where:
Base-Base interactions energy: -1818.354
where: short stacking energy: -734.626
Base-Backbone interact. energy: 1.343
local terms energy: -771.011950
where:
bonds (distance) C4'-P energy: -147.459
bonds (distance) P-C4' energy: -117.308
flat angles C4'-P-C4' energy: -162.551
flat angles P-C4'-P energy: -108.374
tors. eta vs tors. theta energy: -235.319
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: 192
Temperature: 1.100000
Total energy: -2511.675646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.675646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.380954 (E_RNA)
where:
Base-Base interactions energy: -1790.455
where: short stacking energy: -747.241
Base-Backbone interact. energy: 2.524
local terms energy: -734.450182
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -132.907
flat angles C4'-P-C4' energy: -158.579
flat angles P-C4'-P energy: -95.119
tors. eta vs tors. theta energy: -238.727
Dist. restrs. and SS energy: 10.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2404.847527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.847527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.997378 (E_RNA)
where:
Base-Base interactions energy: -1729.673
where: short stacking energy: -704.286
Base-Backbone interact. energy: -2.585
local terms energy: -675.739532
where:
bonds (distance) C4'-P energy: -117.344
bonds (distance) P-C4' energy: -119.307
flat angles C4'-P-C4' energy: -143.102
flat angles P-C4'-P energy: -87.465
tors. eta vs tors. theta energy: -208.523
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: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2340.919702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.919702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.568801 (E_RNA)
where:
Base-Base interactions energy: -1661.317
where: short stacking energy: -663.762
Base-Backbone interact. energy: -2.872
local terms energy: -685.379839
where:
bonds (distance) C4'-P energy: -105.702
bonds (distance) P-C4' energy: -128.681
flat angles C4'-P-C4' energy: -141.647
flat angles P-C4'-P energy: -84.145
tors. eta vs tors. theta energy: -225.205
Dist. restrs. and SS energy: 8.649 (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: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2198.018361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.018361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.267889 (E_RNA)
where:
Base-Base interactions energy: -1596.957
where: short stacking energy: -649.493
Base-Backbone interact. energy: 2.371
local terms energy: -620.681984
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -125.769
flat angles C4'-P-C4' energy: -133.979
flat angles P-C4'-P energy: -74.857
tors. eta vs tors. theta energy: -182.682
Dist. restrs. and SS energy: 17.250 (S_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: 192
Temperature: 1.300000
Total energy: -2060.015898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.015898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.674455 (E_RNA)
where:
Base-Base interactions energy: -1496.735
where: short stacking energy: -610.139
Base-Backbone interact. energy: 8.026
local terms energy: -592.965619
where:
bonds (distance) C4'-P energy: -103.383
bonds (distance) P-C4' energy: -104.130
flat angles C4'-P-C4' energy: -137.949
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: -173.933
Dist. restrs. and SS energy: 21.659 (S_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: 192
Temperature: 1.350000
Total energy: -1925.948110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.948110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.449996 (E_RNA)
where:
Base-Base interactions energy: -1389.698
where: short stacking energy: -582.597
Base-Backbone interact. energy: 1.219
local terms energy: -559.971033
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -92.770
flat angles C4'-P-C4' energy: -122.012
flat angles P-C4'-P energy: -87.218
tors. eta vs tors. theta energy: -155.509
Dist. restrs. and SS energy: 22.502 (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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2747.765580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.765580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.219477 (E_RNA)
where:
Base-Base interactions energy: -1937.146
where: short stacking energy: -787.486
Base-Backbone interact. energy: -1.506
local terms energy: -816.567853
where:
bonds (distance) C4'-P energy: -149.962
bonds (distance) P-C4' energy: -133.996
flat angles C4'-P-C4' energy: -168.344
flat angles P-C4'-P energy: -117.997
tors. eta vs tors. theta energy: -246.268
Dist. restrs. and SS energy: 7.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2680.987082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.987082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.879824 (E_RNA)
where:
Base-Base interactions energy: -1877.976
where: short stacking energy: -770.402
Base-Backbone interact. energy: -0.913
local terms energy: -816.991606
where:
bonds (distance) C4'-P energy: -144.070
bonds (distance) P-C4' energy: -138.361
flat angles C4'-P-C4' energy: -172.838
flat angles P-C4'-P energy: -114.182
tors. eta vs tors. theta energy: -247.541
Dist. restrs. and SS energy: 14.893 (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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2669.269059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.269059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.101748 (E_RNA)
where:
Base-Base interactions energy: -1869.125
where: short stacking energy: -788.066
Base-Backbone interact. energy: -0.275
local terms energy: -804.701469
where:
bonds (distance) C4'-P energy: -133.581
bonds (distance) P-C4' energy: -132.964
flat angles C4'-P-C4' energy: -169.971
flat angles P-C4'-P energy: -120.786
tors. eta vs tors. theta energy: -247.399
Dist. restrs. and SS energy: 4.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2553.877814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.877814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.931658 (E_RNA)
where:
Base-Base interactions energy: -1822.143
where: short stacking energy: -749.106
Base-Backbone interact. energy: -2.250
local terms energy: -739.539369
where:
bonds (distance) C4'-P energy: -130.621
bonds (distance) P-C4' energy: -119.362
flat angles C4'-P-C4' energy: -148.571
flat angles P-C4'-P energy: -108.979
tors. eta vs tors. theta energy: -232.007
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: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2519.055213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.055213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.566485 (E_RNA)
where:
Base-Base interactions energy: -1808.160
where: short stacking energy: -716.261
Base-Backbone interact. energy: -1.184
local terms energy: -717.222358
where:
bonds (distance) C4'-P energy: -131.965
bonds (distance) P-C4' energy: -109.380
flat angles C4'-P-C4' energy: -147.821
flat angles P-C4'-P energy: -100.105
tors. eta vs tors. theta energy: -227.952
Dist. restrs. and SS energy: 7.511 (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: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2435.886569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.886569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.104836 (E_RNA)
where:
Base-Base interactions energy: -1721.444
where: short stacking energy: -685.087
Base-Backbone interact. energy: -1.629
local terms energy: -717.031320
where:
bonds (distance) C4'-P energy: -116.369
bonds (distance) P-C4' energy: -123.150
flat angles C4'-P-C4' energy: -145.324
flat angles P-C4'-P energy: -112.019
tors. eta vs tors. theta energy: -220.170
Dist. restrs. and SS energy: 4.218 (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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2360.395688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.395688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.151255 (E_RNA)
where:
Base-Base interactions energy: -1683.627
where: short stacking energy: -680.774
Base-Backbone interact. energy: -1.367
local terms energy: -688.157307
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -120.977
flat angles C4'-P-C4' energy: -148.770
flat angles P-C4'-P energy: -80.694
tors. eta vs tors. theta energy: -215.380
Dist. restrs. and SS energy: 12.756 (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: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2212.554596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.554596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.298941 (E_RNA)
where:
Base-Base interactions energy: -1585.202
where: short stacking energy: -643.496
Base-Backbone interact. energy: 0.426
local terms energy: -640.522966
where:
bonds (distance) C4'-P energy: -121.007
bonds (distance) P-C4' energy: -118.502
flat angles C4'-P-C4' energy: -128.499
flat angles P-C4'-P energy: -82.180
tors. eta vs tors. theta energy: -190.334
Dist. restrs. and SS energy: 12.744 (S_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: 193
Temperature: 1.300000
Total energy: -2046.595106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.595106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.906961 (E_RNA)
where:
Base-Base interactions energy: -1473.034
where: short stacking energy: -584.881
Base-Backbone interact. energy: -1.079
local terms energy: -590.794783
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -104.962
flat angles C4'-P-C4' energy: -124.931
flat angles P-C4'-P energy: -69.199
tors. eta vs tors. theta energy: -173.185
Dist. restrs. and SS energy: 18.312 (S_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: 193
Temperature: 1.350000
Total energy: -1990.844076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.844076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.255252 (E_RNA)
where:
Base-Base interactions energy: -1415.483
where: short stacking energy: -576.901
Base-Backbone interact. energy: -0.961
local terms energy: -589.811256
where:
bonds (distance) C4'-P energy: -108.113
bonds (distance) P-C4' energy: -101.988
flat angles C4'-P-C4' energy: -131.598
flat angles P-C4'-P energy: -81.572
tors. eta vs tors. theta energy: -166.540
Dist. restrs. and SS energy: 15.411 (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: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2756.099796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.099796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.213194 (E_RNA)
where:
Base-Base interactions energy: -1953.949
where: short stacking energy: -797.175
Base-Backbone interact. energy: -2.581
local terms energy: -809.682684
where:
bonds (distance) C4'-P energy: -140.713
bonds (distance) P-C4' energy: -141.449
flat angles C4'-P-C4' energy: -161.642
flat angles P-C4'-P energy: -123.364
tors. eta vs tors. theta energy: -242.515
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: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2673.523578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.523578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.504826 (E_RNA)
where:
Base-Base interactions energy: -1882.428
where: short stacking energy: -766.272
Base-Backbone interact. energy: -1.911
local terms energy: -801.166209
where:
bonds (distance) C4'-P energy: -141.959
bonds (distance) P-C4' energy: -136.290
flat angles C4'-P-C4' energy: -161.784
flat angles P-C4'-P energy: -112.342
tors. eta vs tors. theta energy: -248.792
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: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2603.308827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.308827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.162441 (E_RNA)
where:
Base-Base interactions energy: -1845.030
where: short stacking energy: -755.431
Base-Backbone interact. energy: -0.503
local terms energy: -771.629343
where:
bonds (distance) C4'-P energy: -135.576
bonds (distance) P-C4' energy: -128.942
flat angles C4'-P-C4' energy: -160.321
flat angles P-C4'-P energy: -110.394
tors. eta vs tors. theta energy: -236.397
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: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2602.146125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.146125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.962914 (E_RNA)
where:
Base-Base interactions energy: -1858.346
where: short stacking energy: -765.280
Base-Backbone interact. energy: -0.154
local terms energy: -750.463500
where:
bonds (distance) C4'-P energy: -108.665
bonds (distance) P-C4' energy: -141.256
flat angles C4'-P-C4' energy: -161.617
flat angles P-C4'-P energy: -100.875
tors. eta vs tors. theta energy: -238.050
Dist. restrs. and SS energy: 6.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2465.182007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.182007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.803233 (E_RNA)
where:
Base-Base interactions energy: -1758.884
where: short stacking energy: -730.847
Base-Backbone interact. energy: 0.201
local terms energy: -710.120853
where:
bonds (distance) C4'-P energy: -123.666
bonds (distance) P-C4' energy: -127.169
flat angles C4'-P-C4' energy: -146.468
flat angles P-C4'-P energy: -84.779
tors. eta vs tors. theta energy: -228.038
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2414.563569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.563569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.589039 (E_RNA)
where:
Base-Base interactions energy: -1752.464
where: short stacking energy: -725.774
Base-Backbone interact. energy: -2.118
local terms energy: -668.006551
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -83.012
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -108.811
tors. eta vs tors. theta energy: -224.318
Dist. restrs. and SS energy: 8.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2369.331232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.331232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.778849 (E_RNA)
where:
Base-Base interactions energy: -1703.904
where: short stacking energy: -687.997
Base-Backbone interact. energy: -0.592
local terms energy: -677.282851
where:
bonds (distance) C4'-P energy: -113.163
bonds (distance) P-C4' energy: -105.800
flat angles C4'-P-C4' energy: -138.822
flat angles P-C4'-P energy: -92.110
tors. eta vs tors. theta energy: -227.389
Dist. restrs. and SS energy: 12.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2187.150622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.150622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.911399 (E_RNA)
where:
Base-Base interactions energy: -1562.240
where: short stacking energy: -624.882
Base-Backbone interact. energy: 2.202
local terms energy: -641.874160
where:
bonds (distance) C4'-P energy: -125.806
bonds (distance) P-C4' energy: -113.558
flat angles C4'-P-C4' energy: -137.632
flat angles P-C4'-P energy: -81.503
tors. eta vs tors. theta energy: -183.376
Dist. restrs. and SS energy: 14.761 (S_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: 194
Temperature: 1.300000
Total energy: -2082.718268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.217274 (E_RNA)
where:
Base-Base interactions energy: -1476.115
where: short stacking energy: -596.106
Base-Backbone interact. energy: -0.377
local terms energy: -618.725259
where:
bonds (distance) C4'-P energy: -106.690
bonds (distance) P-C4' energy: -117.066
flat angles C4'-P-C4' energy: -133.993
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -183.357
Dist. restrs. and SS energy: 12.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1991.963106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.963106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.627793 (E_RNA)
where:
Base-Base interactions energy: -1445.994
where: short stacking energy: -557.750
Base-Backbone interact. energy: 0.411
local terms energy: -567.044026
where:
bonds (distance) C4'-P energy: -114.965
bonds (distance) P-C4' energy: -89.250
flat angles C4'-P-C4' energy: -111.454
flat angles P-C4'-P energy: -84.449
tors. eta vs tors. theta energy: -166.926
Dist. restrs. and SS energy: 20.665 (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: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2746.429402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.429402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.309556 (E_RNA)
where:
Base-Base interactions energy: -1937.430
where: short stacking energy: -808.790
Base-Backbone interact. energy: -0.073
local terms energy: -816.807126
where:
bonds (distance) C4'-P energy: -144.824
bonds (distance) P-C4' energy: -127.553
flat angles C4'-P-C4' energy: -180.215
flat angles P-C4'-P energy: -115.696
tors. eta vs tors. theta energy: -248.519
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: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2652.441800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.441800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.650440 (E_RNA)
where:
Base-Base interactions energy: -1857.959
where: short stacking energy: -766.827
Base-Backbone interact. energy: 1.049
local terms energy: -804.741236
where:
bonds (distance) C4'-P energy: -153.698
bonds (distance) P-C4' energy: -138.351
flat angles C4'-P-C4' energy: -163.917
flat angles P-C4'-P energy: -109.932
tors. eta vs tors. theta energy: -238.843
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: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2603.821432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.821432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.760136 (E_RNA)
where:
Base-Base interactions energy: -1853.158
where: short stacking energy: -734.186
Base-Backbone interact. energy: 2.351
local terms energy: -765.953998
where:
bonds (distance) C4'-P energy: -147.681
bonds (distance) P-C4' energy: -127.749
flat angles C4'-P-C4' energy: -147.676
flat angles P-C4'-P energy: -113.772
tors. eta vs tors. theta energy: -229.077
Dist. restrs. and SS energy: 12.939 (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: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2570.565210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.565210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.618421 (E_RNA)
where:
Base-Base interactions energy: -1853.358
where: short stacking energy: -745.941
Base-Backbone interact. energy: 3.533
local terms energy: -727.793419
where:
bonds (distance) C4'-P energy: -101.429
bonds (distance) P-C4' energy: -131.310
flat angles C4'-P-C4' energy: -152.615
flat angles P-C4'-P energy: -105.119
tors. eta vs tors. theta energy: -237.321
Dist. restrs. and SS energy: 7.053 (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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2498.935209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.935209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.087991 (E_RNA)
where:
Base-Base interactions energy: -1758.309
where: short stacking energy: -748.828
Base-Backbone interact. energy: -2.109
local terms energy: -742.669269
where:
bonds (distance) C4'-P energy: -138.171
bonds (distance) P-C4' energy: -107.155
flat angles C4'-P-C4' energy: -158.511
flat angles P-C4'-P energy: -104.151
tors. eta vs tors. theta energy: -234.681
Dist. restrs. and SS energy: 4.153 (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: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2406.594977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.594977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.853282 (E_RNA)
where:
Base-Base interactions energy: -1707.854
where: short stacking energy: -719.092
Base-Backbone interact. energy: -3.469
local terms energy: -702.530583
where:
bonds (distance) C4'-P energy: -110.888
bonds (distance) P-C4' energy: -120.286
flat angles C4'-P-C4' energy: -140.921
flat angles P-C4'-P energy: -109.047
tors. eta vs tors. theta energy: -221.389
Dist. restrs. and SS energy: 7.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2341.507969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.507969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.902343 (E_RNA)
where:
Base-Base interactions energy: -1673.117
where: short stacking energy: -672.313
Base-Backbone interact. energy: -1.383
local terms energy: -679.402484
where:
bonds (distance) C4'-P energy: -113.656
bonds (distance) P-C4' energy: -105.195
flat angles C4'-P-C4' energy: -148.321
flat angles P-C4'-P energy: -90.367
tors. eta vs tors. theta energy: -221.863
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: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2183.661057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.661057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.613820 (E_RNA)
where:
Base-Base interactions energy: -1576.577
where: short stacking energy: -603.126
Base-Backbone interact. energy: -0.920
local terms energy: -620.116314
where:
bonds (distance) C4'-P energy: -108.212
bonds (distance) P-C4' energy: -108.495
flat angles C4'-P-C4' energy: -136.497
flat angles P-C4'-P energy: -77.051
tors. eta vs tors. theta energy: -189.862
Dist. restrs. and SS energy: 13.953 (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: 195
Temperature: 1.300000
Total energy: -2058.303005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.355210 (E_RNA)
where:
Base-Base interactions energy: -1483.710
where: short stacking energy: -582.641
Base-Backbone interact. energy: -4.041
local terms energy: -588.603511
where:
bonds (distance) C4'-P energy: -107.112
bonds (distance) P-C4' energy: -95.103
flat angles C4'-P-C4' energy: -129.237
flat angles P-C4'-P energy: -80.303
tors. eta vs tors. theta energy: -176.848
Dist. restrs. and SS energy: 18.052 (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: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1978.327826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.327826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.788421 (E_RNA)
where:
Base-Base interactions energy: -1388.286
where: short stacking energy: -564.916
Base-Backbone interact. energy: -1.847
local terms energy: -610.654485
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -103.522
flat angles C4'-P-C4' energy: -137.568
flat angles P-C4'-P energy: -88.900
tors. eta vs tors. theta energy: -177.295
Dist. restrs. and SS energy: 22.461 (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: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2751.495214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.495214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.897377 (E_RNA)
where:
Base-Base interactions energy: -1936.503
where: short stacking energy: -791.696
Base-Backbone interact. energy: -1.258
local terms energy: -821.136626
where:
bonds (distance) C4'-P energy: -134.237
bonds (distance) P-C4' energy: -157.959
flat angles C4'-P-C4' energy: -161.408
flat angles P-C4'-P energy: -121.888
tors. eta vs tors. theta energy: -245.644
Dist. restrs. and SS energy: 7.402 (S_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: 196
Temperature: 0.950000
Total energy: -2646.791340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.791340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.417957 (E_RNA)
where:
Base-Base interactions energy: -1875.494
where: short stacking energy: -760.776
Base-Backbone interact. energy: -3.352
local terms energy: -778.571767
where:
bonds (distance) C4'-P energy: -137.793
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -159.640
flat angles P-C4'-P energy: -114.670
tors. eta vs tors. theta energy: -232.639
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2660.357497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.357497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.903183 (E_RNA)
where:
Base-Base interactions energy: -1896.309
where: short stacking energy: -766.100
Base-Backbone interact. energy: 2.297
local terms energy: -776.891470
where:
bonds (distance) C4'-P energy: -128.534
bonds (distance) P-C4' energy: -130.773
flat angles C4'-P-C4' energy: -157.541
flat angles P-C4'-P energy: -109.877
tors. eta vs tors. theta energy: -250.166
Dist. restrs. and SS energy: 10.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2591.264568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.264568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.556910 (E_RNA)
where:
Base-Base interactions energy: -1830.624
where: short stacking energy: -762.756
Base-Backbone interact. energy: -1.398
local terms energy: -768.535434
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -126.615
flat angles C4'-P-C4' energy: -156.357
flat angles P-C4'-P energy: -119.320
tors. eta vs tors. theta energy: -248.682
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: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2525.127055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.127055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.482097 (E_RNA)
where:
Base-Base interactions energy: -1784.574
where: short stacking energy: -721.738
Base-Backbone interact. energy: -3.155
local terms energy: -741.753146
where:
bonds (distance) C4'-P energy: -136.189
bonds (distance) P-C4' energy: -126.641
flat angles C4'-P-C4' energy: -142.521
flat angles P-C4'-P energy: -97.269
tors. eta vs tors. theta energy: -239.132
Dist. restrs. and SS energy: 4.355 (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: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2389.515048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.515048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.462343 (E_RNA)
where:
Base-Base interactions energy: -1690.060
where: short stacking energy: -685.001
Base-Backbone interact. energy: 0.697
local terms energy: -712.099042
where:
bonds (distance) C4'-P energy: -128.471
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -150.807
flat angles P-C4'-P energy: -104.233
tors. eta vs tors. theta energy: -216.534
Dist. restrs. and SS energy: 11.947 (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: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2372.887383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.887383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.270449 (E_RNA)
where:
Base-Base interactions energy: -1704.136
where: short stacking energy: -695.555
Base-Backbone interact. energy: -4.451
local terms energy: -677.683792
where:
bonds (distance) C4'-P energy: -112.855
bonds (distance) P-C4' energy: -113.938
flat angles C4'-P-C4' energy: -146.097
flat angles P-C4'-P energy: -80.842
tors. eta vs tors. theta energy: -223.952
Dist. restrs. and SS energy: 13.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2182.745665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.745665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.610176 (E_RNA)
where:
Base-Base interactions energy: -1552.933
where: short stacking energy: -628.794
Base-Backbone interact. energy: 0.006
local terms energy: -643.683709
where:
bonds (distance) C4'-P energy: -108.856
bonds (distance) P-C4' energy: -119.834
flat angles C4'-P-C4' energy: -137.249
flat angles P-C4'-P energy: -75.237
tors. eta vs tors. theta energy: -202.507
Dist. restrs. and SS energy: 13.865 (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: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -2068.416828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.416828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.159440 (E_RNA)
where:
Base-Base interactions energy: -1499.811
where: short stacking energy: -603.019
Base-Backbone interact. energy: 0.034
local terms energy: -593.382599
where:
bonds (distance) C4'-P energy: -117.810
bonds (distance) P-C4' energy: -94.093
flat angles C4'-P-C4' energy: -128.939
flat angles P-C4'-P energy: -68.164
tors. eta vs tors. theta energy: -184.377
Dist. restrs. and SS energy: 24.743 (S_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: 196
Temperature: 1.350000
Total energy: -1998.991038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.991038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.217702 (E_RNA)
where:
Base-Base interactions energy: -1405.541
where: short stacking energy: -576.240
Base-Backbone interact. energy: -0.606
local terms energy: -615.070855
where:
bonds (distance) C4'-P energy: -124.480
bonds (distance) P-C4' energy: -114.094
flat angles C4'-P-C4' energy: -127.774
flat angles P-C4'-P energy: -78.088
tors. eta vs tors. theta energy: -170.635
Dist. restrs. and SS energy: 22.227 (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: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2745.478918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.478918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.973205 (E_RNA)
where:
Base-Base interactions energy: -1944.646
where: short stacking energy: -784.247
Base-Backbone interact. energy: -3.533
local terms energy: -804.794606
where:
bonds (distance) C4'-P energy: -140.345
bonds (distance) P-C4' energy: -141.956
flat angles C4'-P-C4' energy: -165.363
flat angles P-C4'-P energy: -112.533
tors. eta vs tors. theta energy: -244.597
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2684.295261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.295261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.076073 (E_RNA)
where:
Base-Base interactions energy: -1930.056
where: short stacking energy: -796.454
Base-Backbone interact. energy: -0.436
local terms energy: -765.584077
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -136.407
flat angles C4'-P-C4' energy: -148.339
flat angles P-C4'-P energy: -108.559
tors. eta vs tors. theta energy: -240.900
Dist. restrs. and SS energy: 11.781 (S_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: 197
Temperature: 1.000000
Total energy: -2603.076730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.076730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.367067 (E_RNA)
where:
Base-Base interactions energy: -1855.445
where: short stacking energy: -771.997
Base-Backbone interact. energy: -0.285
local terms energy: -759.636321
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -139.376
flat angles C4'-P-C4' energy: -151.981
flat angles P-C4'-P energy: -116.372
tors. eta vs tors. theta energy: -235.457
Dist. restrs. and SS energy: 12.290 (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: 197
Temperature: 1.050000
Total energy: -2552.474813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.474813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.946794 (E_RNA)
where:
Base-Base interactions energy: -1825.385
where: short stacking energy: -712.688
Base-Backbone interact. energy: 0.542
local terms energy: -735.103904
where:
bonds (distance) C4'-P energy: -141.893
bonds (distance) P-C4' energy: -129.201
flat angles C4'-P-C4' energy: -130.046
flat angles P-C4'-P energy: -104.750
tors. eta vs tors. theta energy: -229.214
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: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2506.381126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.381126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.734669 (E_RNA)
where:
Base-Base interactions energy: -1789.318
where: short stacking energy: -743.116
Base-Backbone interact. energy: -0.030
local terms energy: -721.386840
where:
bonds (distance) C4'-P energy: -128.770
bonds (distance) P-C4' energy: -128.996
flat angles C4'-P-C4' energy: -147.026
flat angles P-C4'-P energy: -90.598
tors. eta vs tors. theta energy: -225.997
Dist. restrs. and SS energy: 4.354 (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: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2400.630763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.630763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.141946 (E_RNA)
where:
Base-Base interactions energy: -1693.589
where: short stacking energy: -693.892
Base-Backbone interact. energy: -1.736
local terms energy: -713.816815
where:
bonds (distance) C4'-P energy: -122.479
bonds (distance) P-C4' energy: -127.081
flat angles C4'-P-C4' energy: -152.467
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -210.047
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: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2324.757624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.757624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.934417 (E_RNA)
where:
Base-Base interactions energy: -1668.278
where: short stacking energy: -675.416
Base-Backbone interact. energy: 1.405
local terms energy: -672.061224
where:
bonds (distance) C4'-P energy: -106.617
bonds (distance) P-C4' energy: -131.007
flat angles C4'-P-C4' energy: -139.578
flat angles P-C4'-P energy: -89.105
tors. eta vs tors. theta energy: -205.755
Dist. restrs. and SS energy: 14.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2190.297439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.297439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.821322 (E_RNA)
where:
Base-Base interactions energy: -1587.939
where: short stacking energy: -636.471
Base-Backbone interact. energy: 0.252
local terms energy: -618.133360
where:
bonds (distance) C4'-P energy: -118.503
bonds (distance) P-C4' energy: -114.304
flat angles C4'-P-C4' energy: -127.587
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -202.513
Dist. restrs. and SS energy: 15.524 (S_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: 197
Temperature: 1.300000
Total energy: -2098.190879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.400551 (E_RNA)
where:
Base-Base interactions energy: -1487.519
where: short stacking energy: -617.159
Base-Backbone interact. energy: 1.632
local terms energy: -635.514110
where:
bonds (distance) C4'-P energy: -122.539
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -135.929
flat angles P-C4'-P energy: -96.847
tors. eta vs tors. theta energy: -190.699
Dist. restrs. and SS energy: 23.210 (S_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: 197
Temperature: 1.350000
Total energy: -1974.260046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.260046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.803663 (E_RNA)
where:
Base-Base interactions energy: -1414.467
where: short stacking energy: -549.047
Base-Backbone interact. energy: 0.659
local terms energy: -587.995348
where:
bonds (distance) C4'-P energy: -101.797
bonds (distance) P-C4' energy: -111.592
flat angles C4'-P-C4' energy: -119.752
flat angles P-C4'-P energy: -87.415
tors. eta vs tors. theta energy: -167.439
Dist. restrs. and SS energy: 27.544 (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: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2740.411972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.411972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.104110 (E_RNA)
where:
Base-Base interactions energy: -1938.689
where: short stacking energy: -812.682
Base-Backbone interact. energy: -0.057
local terms energy: -810.357346
where:
bonds (distance) C4'-P energy: -142.686
bonds (distance) P-C4' energy: -147.546
flat angles C4'-P-C4' energy: -171.123
flat angles P-C4'-P energy: -104.099
tors. eta vs tors. theta energy: -244.902
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: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2660.066014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.066014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.723418 (E_RNA)
where:
Base-Base interactions energy: -1862.878
where: short stacking energy: -757.394
Base-Backbone interact. energy: -3.190
local terms energy: -803.654797
where:
bonds (distance) C4'-P energy: -146.624
bonds (distance) P-C4' energy: -144.596
flat angles C4'-P-C4' energy: -162.082
flat angles P-C4'-P energy: -116.677
tors. eta vs tors. theta energy: -233.676
Dist. restrs. and SS energy: 9.657 (S_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: 198
Temperature: 1.000000
Total energy: -2609.296510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.296510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.571881 (E_RNA)
where:
Base-Base interactions energy: -1864.759
where: short stacking energy: -758.771
Base-Backbone interact. energy: -1.506
local terms energy: -755.306339
where:
bonds (distance) C4'-P energy: -130.951
bonds (distance) P-C4' energy: -116.753
flat angles C4'-P-C4' energy: -155.990
flat angles P-C4'-P energy: -112.034
tors. eta vs tors. theta energy: -239.578
Dist. restrs. and SS energy: 12.275 (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: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2576.128487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.128487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.809309 (E_RNA)
where:
Base-Base interactions energy: -1836.926
where: short stacking energy: -752.463
Base-Backbone interact. energy: 1.773
local terms energy: -748.657036
where:
bonds (distance) C4'-P energy: -124.246
bonds (distance) P-C4' energy: -123.423
flat angles C4'-P-C4' energy: -157.464
flat angles P-C4'-P energy: -112.446
tors. eta vs tors. theta energy: -231.078
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: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2495.512435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.512435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.514490 (E_RNA)
where:
Base-Base interactions energy: -1758.482
where: short stacking energy: -729.771
Base-Backbone interact. energy: -2.290
local terms energy: -739.742980
where:
bonds (distance) C4'-P energy: -132.482
bonds (distance) P-C4' energy: -124.570
flat angles C4'-P-C4' energy: -158.739
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -229.555
Dist. restrs. and SS energy: 5.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2391.339073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.339073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.067406 (E_RNA)
where:
Base-Base interactions energy: -1718.263
where: short stacking energy: -689.959
Base-Backbone interact. energy: 0.475
local terms energy: -683.278645
where:
bonds (distance) C4'-P energy: -119.658
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -149.501
flat angles P-C4'-P energy: -109.958
tors. eta vs tors. theta energy: -204.773
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: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2382.061042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.061042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.201684 (E_RNA)
where:
Base-Base interactions energy: -1684.364
where: short stacking energy: -700.124
Base-Backbone interact. energy: -3.597
local terms energy: -707.240752
where:
bonds (distance) C4'-P energy: -119.920
bonds (distance) P-C4' energy: -131.572
flat angles C4'-P-C4' energy: -139.296
flat angles P-C4'-P energy: -97.494
tors. eta vs tors. theta energy: -218.959
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: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2197.269406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.269406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.939169 (E_RNA)
where:
Base-Base interactions energy: -1564.746
where: short stacking energy: -624.745
Base-Backbone interact. energy: 2.637
local terms energy: -648.830209
where:
bonds (distance) C4'-P energy: -96.165
bonds (distance) P-C4' energy: -119.396
flat angles C4'-P-C4' energy: -137.897
flat angles P-C4'-P energy: -100.703
tors. eta vs tors. theta energy: -194.670
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: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -2056.818251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.643389 (E_RNA)
where:
Base-Base interactions energy: -1444.999
where: short stacking energy: -572.689
Base-Backbone interact. energy: 0.778
local terms energy: -624.423084
where:
bonds (distance) C4'-P energy: -113.969
bonds (distance) P-C4' energy: -109.047
flat angles C4'-P-C4' energy: -133.601
flat angles P-C4'-P energy: -91.483
tors. eta vs tors. theta energy: -176.323
Dist. restrs. and SS energy: 11.825 (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: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1933.613269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.613269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.943984 (E_RNA)
where:
Base-Base interactions energy: -1397.003
where: short stacking energy: -547.917
Base-Backbone interact. energy: 2.663
local terms energy: -561.603612
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -103.180
flat angles C4'-P-C4' energy: -110.388
flat angles P-C4'-P energy: -80.650
tors. eta vs tors. theta energy: -170.352
Dist. restrs. and SS energy: 22.331 (S_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: 199
Temperature: 0.900000
Total energy: -2758.527580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.527580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.049066 (E_RNA)
where:
Base-Base interactions energy: -1950.258
where: short stacking energy: -805.795
Base-Backbone interact. energy: -3.086
local terms energy: -811.704748
where:
bonds (distance) C4'-P energy: -151.964
bonds (distance) P-C4' energy: -139.881
flat angles C4'-P-C4' energy: -164.263
flat angles P-C4'-P energy: -115.575
tors. eta vs tors. theta energy: -240.021
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2654.542558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.542558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.940704 (E_RNA)
where:
Base-Base interactions energy: -1887.392
where: short stacking energy: -754.630
Base-Backbone interact. energy: -6.022
local terms energy: -772.527166
where:
bonds (distance) C4'-P energy: -125.199
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -165.541
flat angles P-C4'-P energy: -118.518
tors. eta vs tors. theta energy: -236.870
Dist. restrs. and SS energy: 11.398 (S_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: 199
Temperature: 1.000000
Total energy: -2594.098074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.098074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.235285 (E_RNA)
where:
Base-Base interactions energy: -1853.960
where: short stacking energy: -763.442
Base-Backbone interact. energy: -3.374
local terms energy: -749.901054
where:
bonds (distance) C4'-P energy: -125.253
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -154.722
flat angles P-C4'-P energy: -105.948
tors. eta vs tors. theta energy: -234.667
Dist. restrs. and SS energy: 13.137 (S_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: 199
Temperature: 1.050000
Total energy: -2582.829426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.829426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.687509 (E_RNA)
where:
Base-Base interactions energy: -1873.002
where: short stacking energy: -765.153
Base-Backbone interact. energy: -0.552
local terms energy: -717.133037
where:
bonds (distance) C4'-P energy: -117.527
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -162.855
flat angles P-C4'-P energy: -92.283
tors. eta vs tors. theta energy: -235.652
Dist. restrs. and SS energy: 7.858 (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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2513.524067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.524067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.817494 (E_RNA)
where:
Base-Base interactions energy: -1800.119
where: short stacking energy: -719.982
Base-Backbone interact. energy: -2.704
local terms energy: -715.994000
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -148.712
flat angles P-C4'-P energy: -98.607
tors. eta vs tors. theta energy: -232.311
Dist. restrs. and SS energy: 5.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2437.760613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.760613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.639741 (E_RNA)
where:
Base-Base interactions energy: -1727.704
where: short stacking energy: -705.113
Base-Backbone interact. energy: -1.964
local terms energy: -715.971203
where:
bonds (distance) C4'-P energy: -142.045
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -149.988
flat angles P-C4'-P energy: -95.078
tors. eta vs tors. theta energy: -215.759
Dist. restrs. and SS energy: 7.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2325.539924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.539924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.960304 (E_RNA)
where:
Base-Base interactions energy: -1648.342
where: short stacking energy: -673.524
Base-Backbone interact. energy: 6.188
local terms energy: -689.806673
where:
bonds (distance) C4'-P energy: -102.528
bonds (distance) P-C4' energy: -122.575
flat angles C4'-P-C4' energy: -144.068
flat angles P-C4'-P energy: -100.044
tors. eta vs tors. theta energy: -220.592
Dist. restrs. and SS energy: 6.420 (S_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: 199
Temperature: 1.250000
Total energy: -2172.188589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.188589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.604240 (E_RNA)
where:
Base-Base interactions energy: -1539.502
where: short stacking energy: -608.723
Base-Backbone interact. energy: -3.525
local terms energy: -639.576987
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -114.192
flat angles C4'-P-C4' energy: -140.713
flat angles P-C4'-P energy: -89.353
tors. eta vs tors. theta energy: -191.359
Dist. restrs. and SS energy: 10.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -2117.605239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.605239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.035844 (E_RNA)
where:
Base-Base interactions energy: -1518.774
where: short stacking energy: -603.517
Base-Backbone interact. energy: 5.299
local terms energy: -617.561038
where:
bonds (distance) C4'-P energy: -121.742
bonds (distance) P-C4' energy: -95.571
flat angles C4'-P-C4' energy: -136.603
flat angles P-C4'-P energy: -82.643
tors. eta vs tors. theta energy: -181.002
Dist. restrs. and SS energy: 13.431 (S_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: 199
Temperature: 1.350000
Total energy: -1961.142788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.142788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.019503 (E_RNA)
where:
Base-Base interactions energy: -1395.339
where: short stacking energy: -554.128
Base-Backbone interact. energy: -4.374
local terms energy: -578.306314
where:
bonds (distance) C4'-P energy: -109.429
bonds (distance) P-C4' energy: -107.566
flat angles C4'-P-C4' energy: -117.139
flat angles P-C4'-P energy: -82.816
tors. eta vs tors. theta energy: -161.357
Dist. restrs. and SS energy: 16.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2737.654360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.654360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.530275 (E_RNA)
where:
Base-Base interactions energy: -1938.165
where: short stacking energy: -803.418
Base-Backbone interact. energy: 0.482
local terms energy: -813.847439
where:
bonds (distance) C4'-P energy: -139.383
bonds (distance) P-C4' energy: -132.428
flat angles C4'-P-C4' energy: -169.723
flat angles P-C4'-P energy: -124.569
tors. eta vs tors. theta energy: -247.745
Dist. restrs. and SS energy: 13.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2683.605906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.605906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.506037 (E_RNA)
where:
Base-Base interactions energy: -1896.165
where: short stacking energy: -775.276
Base-Backbone interact. energy: 0.143
local terms energy: -796.483893
where:
bonds (distance) C4'-P energy: -122.661
bonds (distance) P-C4' energy: -142.683
flat angles C4'-P-C4' energy: -169.552
flat angles P-C4'-P energy: -121.236
tors. eta vs tors. theta energy: -240.351
Dist. restrs. and SS energy: 8.900 (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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2632.319787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.319787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.686997 (E_RNA)
where:
Base-Base interactions energy: -1885.163
where: short stacking energy: -771.497
Base-Backbone interact. energy: -0.212
local terms energy: -754.311928
where:
bonds (distance) C4'-P energy: -131.874
bonds (distance) P-C4' energy: -113.452
flat angles C4'-P-C4' energy: -159.648
flat angles P-C4'-P energy: -111.892
tors. eta vs tors. theta energy: -237.446
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: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2550.608330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.608330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.062896 (E_RNA)
where:
Base-Base interactions energy: -1819.165
where: short stacking energy: -738.755
Base-Backbone interact. energy: -2.708
local terms energy: -745.189237
where:
bonds (distance) C4'-P energy: -110.265
bonds (distance) P-C4' energy: -135.720
flat angles C4'-P-C4' energy: -166.528
flat angles P-C4'-P energy: -101.748
tors. eta vs tors. theta energy: -230.929
Dist. restrs. and SS energy: 16.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2562.605304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.605304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.509058 (E_RNA)
where:
Base-Base interactions energy: -1846.002
where: short stacking energy: -751.364
Base-Backbone interact. energy: -0.722
local terms energy: -720.785112
where:
bonds (distance) C4'-P energy: -138.112
bonds (distance) P-C4' energy: -112.515
flat angles C4'-P-C4' energy: -144.528
flat angles P-C4'-P energy: -87.262
tors. eta vs tors. theta energy: -238.367
Dist. restrs. and SS energy: 4.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2398.972408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.972408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.652842 (E_RNA)
where:
Base-Base interactions energy: -1689.981
where: short stacking energy: -679.482
Base-Backbone interact. energy: -2.906
local terms energy: -715.765322
where:
bonds (distance) C4'-P energy: -135.789
bonds (distance) P-C4' energy: -124.707
flat angles C4'-P-C4' energy: -149.717
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -210.676
Dist. restrs. and SS energy: 9.680 (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: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2339.562897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.562897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.673261 (E_RNA)
where:
Base-Base interactions energy: -1676.962
where: short stacking energy: -670.969
Base-Backbone interact. energy: -0.562
local terms energy: -676.148937
where:
bonds (distance) C4'-P energy: -99.094
bonds (distance) P-C4' energy: -119.561
flat angles C4'-P-C4' energy: -155.420
flat angles P-C4'-P energy: -91.200
tors. eta vs tors. theta energy: -210.873
Dist. restrs. and SS energy: 14.110 (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: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2173.408774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.408774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.672739 (E_RNA)
where:
Base-Base interactions energy: -1546.099
where: short stacking energy: -624.759
Base-Backbone interact. energy: -1.053
local terms energy: -648.521111
where:
bonds (distance) C4'-P energy: -117.361
bonds (distance) P-C4' energy: -118.934
flat angles C4'-P-C4' energy: -138.296
flat angles P-C4'-P energy: -86.695
tors. eta vs tors. theta energy: -187.235
Dist. restrs. and SS energy: 22.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -2125.359510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.359510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.903741 (E_RNA)
where:
Base-Base interactions energy: -1537.906
where: short stacking energy: -624.163
Base-Backbone interact. energy: 2.027
local terms energy: -602.025296
where:
bonds (distance) C4'-P energy: -96.230
bonds (distance) P-C4' energy: -116.013
flat angles C4'-P-C4' energy: -121.812
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -182.176
Dist. restrs. and SS energy: 12.544 (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: 200
Temperature: 1.350000
Total energy: -1930.536639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.536639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.957766 (E_RNA)
where:
Base-Base interactions energy: -1401.127
where: short stacking energy: -564.990
Base-Backbone interact. energy: -0.354
local terms energy: -557.477409
where:
bonds (distance) C4'-P energy: -98.794
bonds (distance) P-C4' energy: -100.072
flat angles C4'-P-C4' energy: -111.564
flat angles P-C4'-P energy: -85.562
tors. eta vs tors. theta energy: -161.485
Dist. restrs. and SS energy: 28.421 (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: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2759.458022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.458022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.092110 (E_RNA)
where:
Base-Base interactions energy: -1954.087
where: short stacking energy: -790.189
Base-Backbone interact. energy: 1.695
local terms energy: -813.700763
where:
bonds (distance) C4'-P energy: -139.838
bonds (distance) P-C4' energy: -127.963
flat angles C4'-P-C4' energy: -170.523
flat angles P-C4'-P energy: -126.391
tors. eta vs tors. theta energy: -248.986
Dist. restrs. and SS energy: 6.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2708.744611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.744611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.278369 (E_RNA)
where:
Base-Base interactions energy: -1935.877
where: short stacking energy: -785.237
Base-Backbone interact. energy: -4.103
local terms energy: -779.298315
where:
bonds (distance) C4'-P energy: -122.047
bonds (distance) P-C4' energy: -131.929
flat angles C4'-P-C4' energy: -165.826
flat angles P-C4'-P energy: -115.312
tors. eta vs tors. theta energy: -244.184
Dist. restrs. and SS energy: 10.534 (S_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: 201
Temperature: 1.000000
Total energy: -2615.777299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.777299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.938112 (E_RNA)
where:
Base-Base interactions energy: -1867.070
where: short stacking energy: -753.380
Base-Backbone interact. energy: -0.364
local terms energy: -756.503457
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -128.924
flat angles C4'-P-C4' energy: -152.209
flat angles P-C4'-P energy: -103.818
tors. eta vs tors. theta energy: -237.427
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: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2563.932829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.932829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.118262 (E_RNA)
where:
Base-Base interactions energy: -1838.986
where: short stacking energy: -767.631
Base-Backbone interact. energy: -1.877
local terms energy: -728.254744
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -108.888
flat angles C4'-P-C4' energy: -148.942
flat angles P-C4'-P energy: -115.099
tors. eta vs tors. theta energy: -233.153
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: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2502.435208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.435208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.504159 (E_RNA)
where:
Base-Base interactions energy: -1784.454
where: short stacking energy: -746.781
Base-Backbone interact. energy: -2.865
local terms energy: -723.184901
where:
bonds (distance) C4'-P energy: -118.497
bonds (distance) P-C4' energy: -122.209
flat angles C4'-P-C4' energy: -148.750
flat angles P-C4'-P energy: -100.967
tors. eta vs tors. theta energy: -232.762
Dist. restrs. and SS energy: 8.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2389.715944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.715944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.614530 (E_RNA)
where:
Base-Base interactions energy: -1708.207
where: short stacking energy: -683.375
Base-Backbone interact. energy: -1.694
local terms energy: -689.713534
where:
bonds (distance) C4'-P energy: -114.904
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -145.495
flat angles P-C4'-P energy: -97.690
tors. eta vs tors. theta energy: -205.387
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2313.504520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.504520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.971581 (E_RNA)
where:
Base-Base interactions energy: -1633.709
where: short stacking energy: -674.772
Base-Backbone interact. energy: -2.314
local terms energy: -683.948368
where:
bonds (distance) C4'-P energy: -127.251
bonds (distance) P-C4' energy: -110.990
flat angles C4'-P-C4' energy: -146.457
flat angles P-C4'-P energy: -90.359
tors. eta vs tors. theta energy: -208.892
Dist. restrs. and SS energy: 6.467 (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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2168.842456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.842456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.495707 (E_RNA)
where:
Base-Base interactions energy: -1551.508
where: short stacking energy: -625.261
Base-Backbone interact. energy: -1.903
local terms energy: -635.084393
where:
bonds (distance) C4'-P energy: -112.328
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -145.081
flat angles P-C4'-P energy: -73.355
tors. eta vs tors. theta energy: -193.611
Dist. restrs. and SS energy: 19.653 (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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -2082.890921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.890921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.122320 (E_RNA)
where:
Base-Base interactions energy: -1508.304
where: short stacking energy: -617.942
Base-Backbone interact. energy: 1.388
local terms energy: -596.206801
where:
bonds (distance) C4'-P energy: -92.447
bonds (distance) P-C4' energy: -100.474
flat angles C4'-P-C4' energy: -136.682
flat angles P-C4'-P energy: -71.518
tors. eta vs tors. theta energy: -195.086
Dist. restrs. and SS energy: 20.231 (S_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: 201
Temperature: 1.350000
Total energy: -1948.757209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.757209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.980247 (E_RNA)
where:
Base-Base interactions energy: -1413.373
where: short stacking energy: -554.884
Base-Backbone interact. energy: -4.678
local terms energy: -550.928408
where:
bonds (distance) C4'-P energy: -94.670
bonds (distance) P-C4' energy: -97.101
flat angles C4'-P-C4' energy: -128.977
flat angles P-C4'-P energy: -77.413
tors. eta vs tors. theta energy: -152.767
Dist. restrs. and SS energy: 20.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2745.243978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.243978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.376092 (E_RNA)
where:
Base-Base interactions energy: -1939.667
where: short stacking energy: -771.285
Base-Backbone interact. energy: 0.331
local terms energy: -812.039317
where:
bonds (distance) C4'-P energy: -132.394
bonds (distance) P-C4' energy: -145.461
flat angles C4'-P-C4' energy: -168.420
flat angles P-C4'-P energy: -124.045
tors. eta vs tors. theta energy: -241.719
Dist. restrs. and SS energy: 6.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2708.129583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.129583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.887730 (E_RNA)
where:
Base-Base interactions energy: -1953.635
where: short stacking energy: -801.187
Base-Backbone interact. energy: -2.995
local terms energy: -761.257925
where:
bonds (distance) C4'-P energy: -129.689
bonds (distance) P-C4' energy: -125.114
flat angles C4'-P-C4' energy: -156.290
flat angles P-C4'-P energy: -100.994
tors. eta vs tors. theta energy: -249.171
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: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2630.905376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.905376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.983577 (E_RNA)
where:
Base-Base interactions energy: -1891.964
where: short stacking energy: -759.908
Base-Backbone interact. energy: -1.064
local terms energy: -743.955759
where:
bonds (distance) C4'-P energy: -118.667
bonds (distance) P-C4' energy: -108.735
flat angles C4'-P-C4' energy: -160.032
flat angles P-C4'-P energy: -120.302
tors. eta vs tors. theta energy: -236.219
Dist. restrs. and SS energy: 6.078 (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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2572.971158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.971158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.050801 (E_RNA)
where:
Base-Base interactions energy: -1819.728
where: short stacking energy: -739.597
Base-Backbone interact. energy: -0.623
local terms energy: -757.699798
where:
bonds (distance) C4'-P energy: -130.022
bonds (distance) P-C4' energy: -122.808
flat angles C4'-P-C4' energy: -156.821
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -238.147
Dist. restrs. and SS energy: 5.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2495.027096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.027096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.212447 (E_RNA)
where:
Base-Base interactions energy: -1736.851
where: short stacking energy: -697.702
Base-Backbone interact. energy: 0.685
local terms energy: -770.046252
where:
bonds (distance) C4'-P energy: -132.606
bonds (distance) P-C4' energy: -156.029
flat angles C4'-P-C4' energy: -158.837
flat angles P-C4'-P energy: -99.712
tors. eta vs tors. theta energy: -222.861
Dist. restrs. and SS energy: 11.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2396.437504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.437504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.376313 (E_RNA)
where:
Base-Base interactions energy: -1694.796
where: short stacking energy: -691.769
Base-Backbone interact. energy: -3.227
local terms energy: -707.353829
where:
bonds (distance) C4'-P energy: -127.342
bonds (distance) P-C4' energy: -116.150
flat angles C4'-P-C4' energy: -150.983
flat angles P-C4'-P energy: -93.932
tors. eta vs tors. theta energy: -218.947
Dist. restrs. and SS energy: 8.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2348.416414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.416414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.657421 (E_RNA)
where:
Base-Base interactions energy: -1649.053
where: short stacking energy: -669.479
Base-Backbone interact. energy: 0.973
local terms energy: -704.577049
where:
bonds (distance) C4'-P energy: -116.803
bonds (distance) P-C4' energy: -127.257
flat angles C4'-P-C4' energy: -152.581
flat angles P-C4'-P energy: -101.811
tors. eta vs tors. theta energy: -206.126
Dist. restrs. and SS energy: 4.241 (S_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: 202
Temperature: 1.250000
Total energy: -2157.139562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.139562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.139353 (E_RNA)
where:
Base-Base interactions energy: -1546.286
where: short stacking energy: -618.498
Base-Backbone interact. energy: -3.575
local terms energy: -626.277842
where:
bonds (distance) C4'-P energy: -123.288
bonds (distance) P-C4' energy: -98.871
flat angles C4'-P-C4' energy: -131.605
flat angles P-C4'-P energy: -81.326
tors. eta vs tors. theta energy: -191.188
Dist. restrs. and SS energy: 19.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -2088.695036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.695036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.507321 (E_RNA)
where:
Base-Base interactions energy: -1507.329
where: short stacking energy: -624.077
Base-Backbone interact. energy: 2.803
local terms energy: -605.981226
where:
bonds (distance) C4'-P energy: -99.591
bonds (distance) P-C4' energy: -99.434
flat angles C4'-P-C4' energy: -133.430
flat angles P-C4'-P energy: -80.387
tors. eta vs tors. theta energy: -193.139
Dist. restrs. and SS energy: 21.812 (S_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: 202
Temperature: 1.350000
Total energy: -1976.434704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.434704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.071716 (E_RNA)
where:
Base-Base interactions energy: -1414.033
where: short stacking energy: -576.475
Base-Backbone interact. energy: 0.405
local terms energy: -588.443395
where:
bonds (distance) C4'-P energy: -119.873
bonds (distance) P-C4' energy: -118.570
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -149.083
Dist. restrs. and SS energy: 25.637 (S_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: 203
Temperature: 0.900000
Total energy: -2742.953108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.953108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.888223 (E_RNA)
where:
Base-Base interactions energy: -1941.829
where: short stacking energy: -799.114
Base-Backbone interact. energy: -1.271
local terms energy: -807.787739
where:
bonds (distance) C4'-P energy: -147.766
bonds (distance) P-C4' energy: -145.783
flat angles C4'-P-C4' energy: -164.500
flat angles P-C4'-P energy: -111.261
tors. eta vs tors. theta energy: -238.478
Dist. restrs. and SS energy: 7.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2684.636460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.636460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.801475 (E_RNA)
where:
Base-Base interactions energy: -1898.264
where: short stacking energy: -773.464
Base-Backbone interact. energy: -3.118
local terms energy: -793.420237
where:
bonds (distance) C4'-P energy: -127.670
bonds (distance) P-C4' energy: -143.124
flat angles C4'-P-C4' energy: -159.111
flat angles P-C4'-P energy: -106.475
tors. eta vs tors. theta energy: -257.040
Dist. restrs. and SS energy: 10.165 (S_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: 203
Temperature: 1.000000
Total energy: -2625.403353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.403353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.037704 (E_RNA)
where:
Base-Base interactions energy: -1859.133
where: short stacking energy: -754.281
Base-Backbone interact. energy: 1.681
local terms energy: -775.585333
where:
bonds (distance) C4'-P energy: -143.462
bonds (distance) P-C4' energy: -137.257
flat angles C4'-P-C4' energy: -151.317
flat angles P-C4'-P energy: -112.126
tors. eta vs tors. theta energy: -231.423
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: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2595.018694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.018694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.460438 (E_RNA)
where:
Base-Base interactions energy: -1854.882
where: short stacking energy: -748.322
Base-Backbone interact. energy: -0.715
local terms energy: -743.863533
where:
bonds (distance) C4'-P energy: -110.485
bonds (distance) P-C4' energy: -131.680
flat angles C4'-P-C4' energy: -165.593
flat angles P-C4'-P energy: -104.157
tors. eta vs tors. theta energy: -231.948
Dist. restrs. and SS energy: 4.442 (S_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: -2495.016339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.016339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.876368 (E_RNA)
where:
Base-Base interactions energy: -1778.012
where: short stacking energy: -727.920
Base-Backbone interact. energy: 3.018
local terms energy: -730.881955
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -118.851
flat angles C4'-P-C4' energy: -158.877
flat angles P-C4'-P energy: -109.941
tors. eta vs tors. theta energy: -231.915
Dist. restrs. and SS energy: 10.860 (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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2371.695136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.695136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.753245 (E_RNA)
where:
Base-Base interactions energy: -1689.865
where: short stacking energy: -680.350
Base-Backbone interact. energy: 0.096
local terms energy: -684.984200
where:
bonds (distance) C4'-P energy: -111.464
bonds (distance) P-C4' energy: -122.585
flat angles C4'-P-C4' energy: -138.370
flat angles P-C4'-P energy: -105.186
tors. eta vs tors. theta energy: -207.379
Dist. restrs. and SS energy: 3.058 (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: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2325.820479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.820479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.278830 (E_RNA)
where:
Base-Base interactions energy: -1658.785
where: short stacking energy: -652.419
Base-Backbone interact. energy: 3.228
local terms energy: -675.722141
where:
bonds (distance) C4'-P energy: -125.752
bonds (distance) P-C4' energy: -121.209
flat angles C4'-P-C4' energy: -143.077
flat angles P-C4'-P energy: -87.783
tors. eta vs tors. theta energy: -197.901
Dist. restrs. and SS energy: 5.458 (S_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: 203
Temperature: 1.250000
Total energy: -2147.349067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.349067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.489246 (E_RNA)
where:
Base-Base interactions energy: -1535.748
where: short stacking energy: -615.846
Base-Backbone interact. energy: -1.910
local terms energy: -639.831229
where:
bonds (distance) C4'-P energy: -106.509
bonds (distance) P-C4' energy: -112.938
flat angles C4'-P-C4' energy: -136.023
flat angles P-C4'-P energy: -90.984
tors. eta vs tors. theta energy: -193.378
Dist. restrs. and SS energy: 30.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -2043.413646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.413646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.065841 (E_RNA)
where:
Base-Base interactions energy: -1451.339
where: short stacking energy: -578.835
Base-Backbone interact. energy: -3.678
local terms energy: -605.048590
where:
bonds (distance) C4'-P energy: -106.475
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -123.185
flat angles P-C4'-P energy: -81.546
tors. eta vs tors. theta energy: -178.075
Dist. restrs. and SS energy: 16.652 (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: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1928.138782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.138782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.987540 (E_RNA)
where:
Base-Base interactions energy: -1386.387
where: short stacking energy: -572.339
Base-Backbone interact. energy: -0.165
local terms energy: -574.436275
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -99.058
flat angles C4'-P-C4' energy: -134.342
flat angles P-C4'-P energy: -91.628
tors. eta vs tors. theta energy: -156.119
Dist. restrs. and SS energy: 32.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2745.409913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.409913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.570730 (E_RNA)
where:
Base-Base interactions energy: -1942.921
where: short stacking energy: -794.433
Base-Backbone interact. energy: -4.589
local terms energy: -806.060625
where:
bonds (distance) C4'-P energy: -139.947
bonds (distance) P-C4' energy: -147.986
flat angles C4'-P-C4' energy: -155.595
flat angles P-C4'-P energy: -111.091
tors. eta vs tors. theta energy: -251.442
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: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2681.079539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.079539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.810325 (E_RNA)
where:
Base-Base interactions energy: -1915.669
where: short stacking energy: -764.537
Base-Backbone interact. energy: -0.387
local terms energy: -770.754480
where:
bonds (distance) C4'-P energy: -115.114
bonds (distance) P-C4' energy: -140.209
flat angles C4'-P-C4' energy: -163.558
flat angles P-C4'-P energy: -107.007
tors. eta vs tors. theta energy: -244.866
Dist. restrs. and SS energy: 5.731 (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: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2620.326908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.326908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.532089 (E_RNA)
where:
Base-Base interactions energy: -1833.964
where: short stacking energy: -761.190
Base-Backbone interact. energy: -1.745
local terms energy: -791.823503
where:
bonds (distance) C4'-P energy: -140.668
bonds (distance) P-C4' energy: -151.235
flat angles C4'-P-C4' energy: -156.343
flat angles P-C4'-P energy: -109.408
tors. eta vs tors. theta energy: -234.170
Dist. restrs. and SS energy: 7.205 (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: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2585.172440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.172440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.836429 (E_RNA)
where:
Base-Base interactions energy: -1835.008
where: short stacking energy: -738.759
Base-Backbone interact. energy: -0.847
local terms energy: -752.981192
where:
bonds (distance) C4'-P energy: -132.719
bonds (distance) P-C4' energy: -138.136
flat angles C4'-P-C4' energy: -150.026
flat angles P-C4'-P energy: -96.957
tors. eta vs tors. theta energy: -235.143
Dist. restrs. and SS energy: 3.664 (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: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2503.385185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.385185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.567158 (E_RNA)
where:
Base-Base interactions energy: -1785.537
where: short stacking energy: -728.342
Base-Backbone interact. energy: -0.432
local terms energy: -727.598163
where:
bonds (distance) C4'-P energy: -111.639
bonds (distance) P-C4' energy: -114.992
flat angles C4'-P-C4' energy: -154.733
flat angles P-C4'-P energy: -111.239
tors. eta vs tors. theta energy: -234.995
Dist. restrs. and SS energy: 10.182 (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: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2406.869923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.869923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.295782 (E_RNA)
where:
Base-Base interactions energy: -1685.796
where: short stacking energy: -676.655
Base-Backbone interact. energy: -1.782
local terms energy: -723.717481
where:
bonds (distance) C4'-P energy: -137.351
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -155.919
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -213.438
Dist. restrs. and SS energy: 4.426 (S_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: 204
Temperature: 1.200000
Total energy: -2322.549409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.549409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.093557 (E_RNA)
where:
Base-Base interactions energy: -1648.912
where: short stacking energy: -691.668
Base-Backbone interact. energy: 4.060
local terms energy: -690.241283
where:
bonds (distance) C4'-P energy: -128.848
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -151.164
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -219.388
Dist. restrs. and SS energy: 12.544 (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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2120.925112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.925112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.162714 (E_RNA)
where:
Base-Base interactions energy: -1516.891
where: short stacking energy: -618.647
Base-Backbone interact. energy: -2.550
local terms energy: -620.722021
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -105.821
flat angles C4'-P-C4' energy: -140.473
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -191.126
Dist. restrs. and SS energy: 19.238 (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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -2064.928787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.928787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.365779 (E_RNA)
where:
Base-Base interactions energy: -1489.546
where: short stacking energy: -594.794
Base-Backbone interact. energy: 3.303
local terms energy: -595.122581
where:
bonds (distance) C4'-P energy: -110.811
bonds (distance) P-C4' energy: -103.525
flat angles C4'-P-C4' energy: -135.367
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -168.434
Dist. restrs. and SS energy: 16.437 (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: 204
Temperature: 1.350000
Total energy: -1949.452646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.452646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.027917 (E_RNA)
where:
Base-Base interactions energy: -1394.201
where: short stacking energy: -576.421
Base-Backbone interact. energy: -5.188
local terms energy: -575.639371
where:
bonds (distance) C4'-P energy: -86.424
bonds (distance) P-C4' energy: -130.422
flat angles C4'-P-C4' energy: -133.917
flat angles P-C4'-P energy: -69.402
tors. eta vs tors. theta energy: -155.475
Dist. restrs. and SS energy: 25.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2751.966222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.966222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.979341 (E_RNA)
where:
Base-Base interactions energy: -1915.144
where: short stacking energy: -779.343
Base-Backbone interact. energy: -4.833
local terms energy: -841.002231
where:
bonds (distance) C4'-P energy: -143.944
bonds (distance) P-C4' energy: -161.063
flat angles C4'-P-C4' energy: -169.174
flat angles P-C4'-P energy: -119.634
tors. eta vs tors. theta energy: -247.188
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: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2665.864424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.864424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.078465 (E_RNA)
where:
Base-Base interactions energy: -1906.990
where: short stacking energy: -779.270
Base-Backbone interact. energy: -0.698
local terms energy: -767.390453
where:
bonds (distance) C4'-P energy: -127.326
bonds (distance) P-C4' energy: -127.251
flat angles C4'-P-C4' energy: -161.390
flat angles P-C4'-P energy: -114.324
tors. eta vs tors. theta energy: -237.099
Dist. restrs. and SS energy: 9.214 (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: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2678.483994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.483994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.223224 (E_RNA)
where:
Base-Base interactions energy: -1922.308
where: short stacking energy: -770.060
Base-Backbone interact. energy: -1.061
local terms energy: -766.854268
where:
bonds (distance) C4'-P energy: -130.754
bonds (distance) P-C4' energy: -127.161
flat angles C4'-P-C4' energy: -162.973
flat angles P-C4'-P energy: -104.862
tors. eta vs tors. theta energy: -241.104
Dist. restrs. and SS energy: 11.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2556.907693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.907693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.648372 (E_RNA)
where:
Base-Base interactions energy: -1801.355
where: short stacking energy: -728.287
Base-Backbone interact. energy: -2.377
local terms energy: -757.916300
where:
bonds (distance) C4'-P energy: -120.768
bonds (distance) P-C4' energy: -130.667
flat angles C4'-P-C4' energy: -165.206
flat angles P-C4'-P energy: -108.375
tors. eta vs tors. theta energy: -232.900
Dist. restrs. and SS energy: 4.741 (S_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: -2478.812264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.812264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.954003 (E_RNA)
where:
Base-Base interactions energy: -1751.211
where: short stacking energy: -717.480
Base-Backbone interact. energy: -3.248
local terms energy: -737.494888
where:
bonds (distance) C4'-P energy: -115.152
bonds (distance) P-C4' energy: -121.331
flat angles C4'-P-C4' energy: -157.029
flat angles P-C4'-P energy: -110.961
tors. eta vs tors. theta energy: -233.021
Dist. restrs. and SS energy: 13.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2442.342161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.342161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.894934 (E_RNA)
where:
Base-Base interactions energy: -1697.342
where: short stacking energy: -690.139
Base-Backbone interact. energy: -4.924
local terms energy: -744.628537
where:
bonds (distance) C4'-P energy: -125.850
bonds (distance) P-C4' energy: -136.855
flat angles C4'-P-C4' energy: -159.294
flat angles P-C4'-P energy: -105.314
tors. eta vs tors. theta energy: -217.315
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2307.622694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.622694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.782579 (E_RNA)
where:
Base-Base interactions energy: -1621.101
where: short stacking energy: -670.579
Base-Backbone interact. energy: -1.787
local terms energy: -692.894752
where:
bonds (distance) C4'-P energy: -124.596
bonds (distance) P-C4' energy: -131.475
flat angles C4'-P-C4' energy: -145.489
flat angles P-C4'-P energy: -89.125
tors. eta vs tors. theta energy: -202.209
Dist. restrs. and SS energy: 8.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2168.726370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.726370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.116925 (E_RNA)
where:
Base-Base interactions energy: -1570.085
where: short stacking energy: -641.251
Base-Backbone interact. energy: -0.032
local terms energy: -612.000107
where:
bonds (distance) C4'-P energy: -90.381
bonds (distance) P-C4' energy: -116.265
flat angles C4'-P-C4' energy: -136.862
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: -197.327
Dist. restrs. and SS energy: 13.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2086.888292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.888292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.796187 (E_RNA)
where:
Base-Base interactions energy: -1496.756
where: short stacking energy: -587.929
Base-Backbone interact. energy: 4.473
local terms energy: -602.514118
where:
bonds (distance) C4'-P energy: -114.590
bonds (distance) P-C4' energy: -91.903
flat angles C4'-P-C4' energy: -131.673
flat angles P-C4'-P energy: -97.991
tors. eta vs tors. theta energy: -166.358
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: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1964.883800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.883800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.341167 (E_RNA)
where:
Base-Base interactions energy: -1403.490
where: short stacking energy: -577.490
Base-Backbone interact. energy: -2.540
local terms energy: -579.310757
where:
bonds (distance) C4'-P energy: -97.982
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -137.848
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -171.880
Dist. restrs. and SS energy: 20.457 (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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2738.101487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.101487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.925917 (E_RNA)
where:
Base-Base interactions energy: -1942.661
where: short stacking energy: -804.536
Base-Backbone interact. energy: -3.801
local terms energy: -804.463773
where:
bonds (distance) C4'-P energy: -138.643
bonds (distance) P-C4' energy: -151.330
flat angles C4'-P-C4' energy: -157.748
flat angles P-C4'-P energy: -111.860
tors. eta vs tors. theta energy: -244.882
Dist. restrs. and SS energy: 12.824 (S_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: 206
Temperature: 0.950000
Total energy: -2697.800573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.800573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.662394 (E_RNA)
where:
Base-Base interactions energy: -1930.134
where: short stacking energy: -799.607
Base-Backbone interact. energy: -3.026
local terms energy: -773.502308
where:
bonds (distance) C4'-P energy: -139.294
bonds (distance) P-C4' energy: -119.577
flat angles C4'-P-C4' energy: -157.637
flat angles P-C4'-P energy: -118.249
tors. eta vs tors. theta energy: -238.745
Dist. restrs. and SS energy: 8.862 (S_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: 206
Temperature: 1.000000
Total energy: -2629.226484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.226484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.599852 (E_RNA)
where:
Base-Base interactions energy: -1865.059
where: short stacking energy: -754.195
Base-Backbone interact. energy: -1.966
local terms energy: -765.574400
where:
bonds (distance) C4'-P energy: -123.742
bonds (distance) P-C4' energy: -144.183
flat angles C4'-P-C4' energy: -148.209
flat angles P-C4'-P energy: -110.845
tors. eta vs tors. theta energy: -238.596
Dist. restrs. and SS energy: 3.373 (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: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2563.327471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.327471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.439255 (E_RNA)
where:
Base-Base interactions energy: -1846.296
where: short stacking energy: -745.932
Base-Backbone interact. energy: -3.486
local terms energy: -720.657506
where:
bonds (distance) C4'-P energy: -114.028
bonds (distance) P-C4' energy: -125.021
flat angles C4'-P-C4' energy: -150.013
flat angles P-C4'-P energy: -109.329
tors. eta vs tors. theta energy: -222.267
Dist. restrs. and SS energy: 7.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2480.699455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.699455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.303746 (E_RNA)
where:
Base-Base interactions energy: -1748.274
where: short stacking energy: -707.602
Base-Backbone interact. energy: -1.152
local terms energy: -742.877359
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -141.159
flat angles C4'-P-C4' energy: -148.600
flat angles P-C4'-P energy: -104.756
tors. eta vs tors. theta energy: -229.281
Dist. restrs. and SS energy: 11.604 (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: 206
Temperature: 1.150000
Total energy: -2424.854815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.854815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.329557 (E_RNA)
where:
Base-Base interactions energy: -1707.355
where: short stacking energy: -683.233
Base-Backbone interact. energy: -1.783
local terms energy: -718.191700
where:
bonds (distance) C4'-P energy: -117.230
bonds (distance) P-C4' energy: -130.804
flat angles C4'-P-C4' energy: -149.183
flat angles P-C4'-P energy: -101.278
tors. eta vs tors. theta energy: -219.697
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2290.822627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.822627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.483654 (E_RNA)
where:
Base-Base interactions energy: -1636.583
where: short stacking energy: -670.602
Base-Backbone interact. energy: 3.164
local terms energy: -667.064627
where:
bonds (distance) C4'-P energy: -116.751
bonds (distance) P-C4' energy: -102.234
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -90.567
tors. eta vs tors. theta energy: -208.172
Dist. restrs. and SS energy: 9.661 (S_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: 206
Temperature: 1.250000
Total energy: -2120.064850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.064850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.749149 (E_RNA)
where:
Base-Base interactions energy: -1498.204
where: short stacking energy: -596.924
Base-Backbone interact. energy: 1.619
local terms energy: -640.164413
where:
bonds (distance) C4'-P energy: -99.035
bonds (distance) P-C4' energy: -120.633
flat angles C4'-P-C4' energy: -143.014
flat angles P-C4'-P energy: -90.085
tors. eta vs tors. theta energy: -187.398
Dist. restrs. and SS energy: 16.684 (S_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: 206
Temperature: 1.300000
Total energy: -1988.802879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.802879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.515791 (E_RNA)
where:
Base-Base interactions energy: -1412.243
where: short stacking energy: -566.319
Base-Backbone interact. energy: 7.994
local terms energy: -604.266309
where:
bonds (distance) C4'-P energy: -109.355
bonds (distance) P-C4' energy: -113.206
flat angles C4'-P-C4' energy: -131.035
flat angles P-C4'-P energy: -89.525
tors. eta vs tors. theta energy: -161.146
Dist. restrs. and SS energy: 19.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -2027.536847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.536847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.157346 (E_RNA)
where:
Base-Base interactions energy: -1430.318
where: short stacking energy: -568.806
Base-Backbone interact. energy: -0.521
local terms energy: -614.318336
where:
bonds (distance) C4'-P energy: -107.342
bonds (distance) P-C4' energy: -106.739
flat angles C4'-P-C4' energy: -126.318
flat angles P-C4'-P energy: -94.132
tors. eta vs tors. theta energy: -179.787
Dist. restrs. and SS energy: 17.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2748.211002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.211002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.155278 (E_RNA)
where:
Base-Base interactions energy: -1953.563
where: short stacking energy: -786.555
Base-Backbone interact. energy: -3.087
local terms energy: -801.505436
where:
bonds (distance) C4'-P energy: -126.906
bonds (distance) P-C4' energy: -153.346
flat angles C4'-P-C4' energy: -158.501
flat angles P-C4'-P energy: -118.078
tors. eta vs tors. theta energy: -244.674
Dist. restrs. and SS energy: 9.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2687.791104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.791104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.271645 (E_RNA)
where:
Base-Base interactions energy: -1882.247
where: short stacking energy: -775.086
Base-Backbone interact. energy: -2.221
local terms energy: -807.804183
where:
bonds (distance) C4'-P energy: -135.246
bonds (distance) P-C4' energy: -138.669
flat angles C4'-P-C4' energy: -160.501
flat angles P-C4'-P energy: -126.980
tors. eta vs tors. theta energy: -246.407
Dist. restrs. and SS energy: 4.481 (S_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: 207
Temperature: 1.000000
Total energy: -2647.474762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.474762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.084658 (E_RNA)
where:
Base-Base interactions energy: -1868.138
where: short stacking energy: -758.521
Base-Backbone interact. energy: -0.729
local terms energy: -786.217812
where:
bonds (distance) C4'-P energy: -131.482
bonds (distance) P-C4' energy: -141.105
flat angles C4'-P-C4' energy: -154.215
flat angles P-C4'-P energy: -125.963
tors. eta vs tors. theta energy: -233.453
Dist. restrs. and SS energy: 7.610 (S_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: 207
Temperature: 1.050000
Total energy: -2610.038494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.038494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.481583 (E_RNA)
where:
Base-Base interactions energy: -1854.605
where: short stacking energy: -746.193
Base-Backbone interact. energy: -1.460
local terms energy: -759.416765
where:
bonds (distance) C4'-P energy: -123.769
bonds (distance) P-C4' energy: -140.685
flat angles C4'-P-C4' energy: -156.377
flat angles P-C4'-P energy: -110.729
tors. eta vs tors. theta energy: -227.857
Dist. restrs. and SS energy: 5.443 (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: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2480.447748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.447748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.080687 (E_RNA)
where:
Base-Base interactions energy: -1771.770
where: short stacking energy: -715.901
Base-Backbone interact. energy: 0.175
local terms energy: -719.485638
where:
bonds (distance) C4'-P energy: -126.369
bonds (distance) P-C4' energy: -120.923
flat angles C4'-P-C4' energy: -160.775
flat angles P-C4'-P energy: -94.584
tors. eta vs tors. theta energy: -216.836
Dist. restrs. and SS energy: 10.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2439.454370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.454370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.198790 (E_RNA)
where:
Base-Base interactions energy: -1745.434
where: short stacking energy: -728.286
Base-Backbone interact. energy: -2.848
local terms energy: -695.916895
where:
bonds (distance) C4'-P energy: -119.364
bonds (distance) P-C4' energy: -93.334
flat angles C4'-P-C4' energy: -152.142
flat angles P-C4'-P energy: -108.953
tors. eta vs tors. theta energy: -222.124
Dist. restrs. and SS energy: 4.744 (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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2326.831864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.167665 (E_RNA)
where:
Base-Base interactions energy: -1656.258
where: short stacking energy: -661.181
Base-Backbone interact. energy: 0.288
local terms energy: -677.197357
where:
bonds (distance) C4'-P energy: -115.807
bonds (distance) P-C4' energy: -126.975
flat angles C4'-P-C4' energy: -141.719
flat angles P-C4'-P energy: -89.904
tors. eta vs tors. theta energy: -202.793
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2176.761243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.761243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.657940 (E_RNA)
where:
Base-Base interactions energy: -1557.735
where: short stacking energy: -640.940
Base-Backbone interact. energy: -1.016
local terms energy: -642.907362
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -130.200
flat angles C4'-P-C4' energy: -126.784
flat angles P-C4'-P energy: -98.522
tors. eta vs tors. theta energy: -198.176
Dist. restrs. and SS energy: 24.897 (S_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: 207
Temperature: 1.300000
Total energy: -1970.594011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.594011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.467371 (E_RNA)
where:
Base-Base interactions energy: -1376.063
where: short stacking energy: -560.757
Base-Backbone interact. energy: -0.951
local terms energy: -624.453003
where:
bonds (distance) C4'-P energy: -109.575
bonds (distance) P-C4' energy: -132.052
flat angles C4'-P-C4' energy: -140.124
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -152.739
Dist. restrs. and SS energy: 30.873 (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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1973.632452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.632452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.896494 (E_RNA)
where:
Base-Base interactions energy: -1438.928
where: short stacking energy: -571.062
Base-Backbone interact. energy: -1.926
local terms energy: -546.042952
where:
bonds (distance) C4'-P energy: -89.533
bonds (distance) P-C4' energy: -108.790
flat angles C4'-P-C4' energy: -125.637
flat angles P-C4'-P energy: -69.649
tors. eta vs tors. theta energy: -152.434
Dist. restrs. and SS energy: 13.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2763.673791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.673791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.674924 (E_RNA)
where:
Base-Base interactions energy: -1954.320
where: short stacking energy: -815.267
Base-Backbone interact. energy: -0.838
local terms energy: -810.517189
where:
bonds (distance) C4'-P energy: -129.847
bonds (distance) P-C4' energy: -143.269
flat angles C4'-P-C4' energy: -167.603
flat angles P-C4'-P energy: -113.761
tors. eta vs tors. theta energy: -256.037
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2713.325898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.325898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.789738 (E_RNA)
where:
Base-Base interactions energy: -1921.481
where: short stacking energy: -791.918
Base-Backbone interact. energy: -2.705
local terms energy: -797.604092
where:
bonds (distance) C4'-P energy: -128.288
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -172.542
flat angles P-C4'-P energy: -110.680
tors. eta vs tors. theta energy: -251.205
Dist. restrs. and SS energy: 8.464 (S_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: 208
Temperature: 1.000000
Total energy: -2634.587054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.587054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.780764 (E_RNA)
where:
Base-Base interactions energy: -1884.710
where: short stacking energy: -760.047
Base-Backbone interact. energy: 1.697
local terms energy: -760.767778
where:
bonds (distance) C4'-P energy: -137.691
bonds (distance) P-C4' energy: -136.423
flat angles C4'-P-C4' energy: -153.995
flat angles P-C4'-P energy: -99.241
tors. eta vs tors. theta energy: -233.418
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: 4, replica: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2565.282175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.282175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.694274 (E_RNA)
where:
Base-Base interactions energy: -1819.021
where: short stacking energy: -739.699
Base-Backbone interact. energy: -2.960
local terms energy: -748.712676
where:
bonds (distance) C4'-P energy: -129.023
bonds (distance) P-C4' energy: -126.492
flat angles C4'-P-C4' energy: -154.224
flat angles P-C4'-P energy: -108.939
tors. eta vs tors. theta energy: -230.035
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: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2464.226343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.226343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.279591 (E_RNA)
where:
Base-Base interactions energy: -1738.963
where: short stacking energy: -705.920
Base-Backbone interact. energy: 0.940
local terms energy: -739.256188
where:
bonds (distance) C4'-P energy: -130.412
bonds (distance) P-C4' energy: -116.595
flat angles C4'-P-C4' energy: -164.198
flat angles P-C4'-P energy: -110.461
tors. eta vs tors. theta energy: -217.590
Dist. restrs. and SS energy: 13.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2341.574354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.574354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.816583 (E_RNA)
where:
Base-Base interactions energy: -1652.626
where: short stacking energy: -679.534
Base-Backbone interact. energy: -2.960
local terms energy: -690.229728
where:
bonds (distance) C4'-P energy: -126.354
bonds (distance) P-C4' energy: -119.634
flat angles C4'-P-C4' energy: -140.541
flat angles P-C4'-P energy: -98.317
tors. eta vs tors. theta energy: -205.384
Dist. restrs. and SS energy: 4.242 (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: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2321.917354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.917354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.915396 (E_RNA)
where:
Base-Base interactions energy: -1646.494
where: short stacking energy: -659.752
Base-Backbone interact. energy: -1.412
local terms energy: -685.009405
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -124.671
flat angles C4'-P-C4' energy: -132.152
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -216.843
Dist. restrs. and SS energy: 10.998 (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: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2185.549034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.549034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.031321 (E_RNA)
where:
Base-Base interactions energy: -1548.367
where: short stacking energy: -620.005
Base-Backbone interact. energy: 4.774
local terms energy: -649.439013
where:
bonds (distance) C4'-P energy: -102.006
bonds (distance) P-C4' energy: -127.778
flat angles C4'-P-C4' energy: -141.830
flat angles P-C4'-P energy: -85.313
tors. eta vs tors. theta energy: -192.511
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: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -2045.373758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.373758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.328589 (E_RNA)
where:
Base-Base interactions energy: -1460.356
where: short stacking energy: -606.182
Base-Backbone interact. energy: -1.860
local terms energy: -603.111776
where:
bonds (distance) C4'-P energy: -95.385
bonds (distance) P-C4' energy: -100.294
flat angles C4'-P-C4' energy: -143.601
flat angles P-C4'-P energy: -78.772
tors. eta vs tors. theta energy: -185.060
Dist. restrs. and SS energy: 19.955 (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: 208
Temperature: 1.350000
Total energy: -1923.475196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.475196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.031429 (E_RNA)
where:
Base-Base interactions energy: -1389.614
where: short stacking energy: -562.178
Base-Backbone interact. energy: 4.249
local terms energy: -552.666059
where:
bonds (distance) C4'-P energy: -90.637
bonds (distance) P-C4' energy: -109.371
flat angles C4'-P-C4' energy: -120.552
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -171.427
Dist. restrs. and SS energy: 14.556 (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: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2759.247217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.247217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.235229 (E_RNA)
where:
Base-Base interactions energy: -1970.009
where: short stacking energy: -818.466
Base-Backbone interact. energy: -2.159
local terms energy: -791.066459
where:
bonds (distance) C4'-P energy: -137.206
bonds (distance) P-C4' energy: -141.868
flat angles C4'-P-C4' energy: -160.888
flat angles P-C4'-P energy: -111.784
tors. eta vs tors. theta energy: -239.321
Dist. restrs. and SS energy: 3.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2680.140999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.140999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.356306 (E_RNA)
where:
Base-Base interactions energy: -1900.372
where: short stacking energy: -786.436
Base-Backbone interact. energy: -2.982
local terms energy: -790.001647
where:
bonds (distance) C4'-P energy: -140.566
bonds (distance) P-C4' energy: -122.522
flat angles C4'-P-C4' energy: -171.671
flat angles P-C4'-P energy: -119.762
tors. eta vs tors. theta energy: -235.481
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: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2637.350441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.350441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.689333 (E_RNA)
where:
Base-Base interactions energy: -1855.015
where: short stacking energy: -759.418
Base-Backbone interact. energy: 3.367
local terms energy: -799.042082
where:
bonds (distance) C4'-P energy: -136.758
bonds (distance) P-C4' energy: -141.893
flat angles C4'-P-C4' energy: -162.270
flat angles P-C4'-P energy: -117.884
tors. eta vs tors. theta energy: -240.238
Dist. restrs. and SS energy: 13.339 (S_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: 209
Temperature: 1.050000
Total energy: -2590.969960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.969960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.558262 (E_RNA)
where:
Base-Base interactions energy: -1829.723
where: short stacking energy: -745.176
Base-Backbone interact. energy: -2.578
local terms energy: -761.257358
where:
bonds (distance) C4'-P energy: -141.290
bonds (distance) P-C4' energy: -122.938
flat angles C4'-P-C4' energy: -151.590
flat angles P-C4'-P energy: -109.718
tors. eta vs tors. theta energy: -235.721
Dist. restrs. and SS energy: 2.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2468.981733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.981733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.472062 (E_RNA)
where:
Base-Base interactions energy: -1785.893
where: short stacking energy: -737.983
Base-Backbone interact. energy: -2.194
local terms energy: -691.385344
where:
bonds (distance) C4'-P energy: -114.306
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -155.382
flat angles P-C4'-P energy: -88.983
tors. eta vs tors. theta energy: -222.659
Dist. restrs. and SS energy: 10.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2389.360975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.360975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.762326 (E_RNA)
where:
Base-Base interactions energy: -1683.133
where: short stacking energy: -701.233
Base-Backbone interact. energy: -3.368
local terms energy: -709.261965
where:
bonds (distance) C4'-P energy: -118.288
bonds (distance) P-C4' energy: -118.698
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -106.283
tors. eta vs tors. theta energy: -214.453
Dist. restrs. and SS energy: 6.401 (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: 209
Temperature: 1.200000
Total energy: -2309.355155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.632091 (E_RNA)
where:
Base-Base interactions energy: -1644.404
where: short stacking energy: -670.608
Base-Backbone interact. energy: -2.797
local terms energy: -674.431296
where:
bonds (distance) C4'-P energy: -96.336
bonds (distance) P-C4' energy: -132.070
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -99.041
tors. eta vs tors. theta energy: -201.623
Dist. restrs. and SS energy: 12.277 (S_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: 209
Temperature: 1.250000
Total energy: -2119.226949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.226949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.758254 (E_RNA)
where:
Base-Base interactions energy: -1475.384
where: short stacking energy: -588.471
Base-Backbone interact. energy: -1.761
local terms energy: -657.613241
where:
bonds (distance) C4'-P energy: -118.613
bonds (distance) P-C4' energy: -124.067
flat angles C4'-P-C4' energy: -143.223
flat angles P-C4'-P energy: -88.489
tors. eta vs tors. theta energy: -183.222
Dist. restrs. and SS energy: 15.531 (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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1994.621507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.621507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.083492 (E_RNA)
where:
Base-Base interactions energy: -1438.130
where: short stacking energy: -573.060
Base-Backbone interact. energy: -1.693
local terms energy: -573.260552
where:
bonds (distance) C4'-P energy: -98.563
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -133.231
flat angles P-C4'-P energy: -76.055
tors. eta vs tors. theta energy: -163.055
Dist. restrs. and SS energy: 18.462 (S_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: 209
Temperature: 1.350000
Total energy: -1960.456381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.456381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.865457 (E_RNA)
where:
Base-Base interactions energy: -1434.526
where: short stacking energy: -583.252
Base-Backbone interact. energy: 4.729
local terms energy: -554.067861
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -124.832
flat angles P-C4'-P energy: -71.098
tors. eta vs tors. theta energy: -170.326
Dist. restrs. and SS energy: 23.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2758.716843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.716843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.002370 (E_RNA)
where:
Base-Base interactions energy: -1927.462
where: short stacking energy: -803.415
Base-Backbone interact. energy: -1.356
local terms energy: -834.184398
where:
bonds (distance) C4'-P energy: -142.150
bonds (distance) P-C4' energy: -145.947
flat angles C4'-P-C4' energy: -166.941
flat angles P-C4'-P energy: -124.210
tors. eta vs tors. theta energy: -254.936
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: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2707.926273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.926273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.235260 (E_RNA)
where:
Base-Base interactions energy: -1930.008
where: short stacking energy: -800.404
Base-Backbone interact. energy: -2.210
local terms energy: -781.017522
where:
bonds (distance) C4'-P energy: -127.430
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -158.449
flat angles P-C4'-P energy: -120.174
tors. eta vs tors. theta energy: -244.220
Dist. restrs. and SS energy: 5.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2613.818449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.818449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.887091 (E_RNA)
where:
Base-Base interactions energy: -1852.616
where: short stacking energy: -771.849
Base-Backbone interact. energy: -3.669
local terms energy: -768.602110
where:
bonds (distance) C4'-P energy: -124.702
bonds (distance) P-C4' energy: -127.116
flat angles C4'-P-C4' energy: -158.249
flat angles P-C4'-P energy: -112.474
tors. eta vs tors. theta energy: -246.061
Dist. restrs. and SS energy: 11.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2574.059530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.059530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.987375 (E_RNA)
where:
Base-Base interactions energy: -1817.598
where: short stacking energy: -748.519
Base-Backbone interact. energy: -4.739
local terms energy: -756.650093
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -143.319
flat angles C4'-P-C4' energy: -171.182
flat angles P-C4'-P energy: -90.561
tors. eta vs tors. theta energy: -226.697
Dist. restrs. and SS energy: 4.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2453.999054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.999054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.282363 (E_RNA)
where:
Base-Base interactions energy: -1752.434
where: short stacking energy: -685.062
Base-Backbone interact. energy: -1.617
local terms energy: -712.231317
where:
bonds (distance) C4'-P energy: -127.203
bonds (distance) P-C4' energy: -116.443
flat angles C4'-P-C4' energy: -142.764
flat angles P-C4'-P energy: -102.828
tors. eta vs tors. theta energy: -222.994
Dist. restrs. and SS energy: 12.283 (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: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2442.524996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.524996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.676404 (E_RNA)
where:
Base-Base interactions energy: -1759.726
where: short stacking energy: -706.892
Base-Backbone interact. energy: 3.600
local terms energy: -691.549617
where:
bonds (distance) C4'-P energy: -112.165
bonds (distance) P-C4' energy: -128.141
flat angles C4'-P-C4' energy: -138.379
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -224.205
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2352.832353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.832353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.035919 (E_RNA)
where:
Base-Base interactions energy: -1669.493
where: short stacking energy: -656.850
Base-Backbone interact. energy: -1.336
local terms energy: -691.206290
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -112.680
flat angles C4'-P-C4' energy: -160.094
flat angles P-C4'-P energy: -89.273
tors. eta vs tors. theta energy: -205.450
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: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2166.367881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.367881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.151266 (E_RNA)
where:
Base-Base interactions energy: -1552.430
where: short stacking energy: -602.010
Base-Backbone interact. energy: 1.820
local terms energy: -631.540711
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -115.776
flat angles C4'-P-C4' energy: -128.460
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -192.367
Dist. restrs. and SS energy: 15.783 (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: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -2025.600425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.600425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.803059 (E_RNA)
where:
Base-Base interactions energy: -1435.397
where: short stacking energy: -568.809
Base-Backbone interact. energy: -1.098
local terms energy: -603.308155
where:
bonds (distance) C4'-P energy: -104.129
bonds (distance) P-C4' energy: -108.784
flat angles C4'-P-C4' energy: -149.587
flat angles P-C4'-P energy: -75.435
tors. eta vs tors. theta energy: -165.373
Dist. restrs. and SS energy: 14.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1939.614736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.614736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.027276 (E_RNA)
where:
Base-Base interactions energy: -1377.892
where: short stacking energy: -545.541
Base-Backbone interact. energy: 1.390
local terms energy: -589.525393
where:
bonds (distance) C4'-P energy: -90.798
bonds (distance) P-C4' energy: -103.611
flat angles C4'-P-C4' energy: -131.873
flat angles P-C4'-P energy: -91.206
tors. eta vs tors. theta energy: -172.038
Dist. restrs. and SS energy: 26.413 (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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2764.651178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.651178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.761526 (E_RNA)
where:
Base-Base interactions energy: -1956.277
where: short stacking energy: -824.073
Base-Backbone interact. energy: -1.787
local terms energy: -810.697000
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -152.266
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -111.966
tors. eta vs tors. theta energy: -252.376
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2697.508210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.508210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.369703 (E_RNA)
where:
Base-Base interactions energy: -1926.394
where: short stacking energy: -805.452
Base-Backbone interact. energy: 2.425
local terms energy: -780.400256
where:
bonds (distance) C4'-P energy: -131.429
bonds (distance) P-C4' energy: -137.942
flat angles C4'-P-C4' energy: -169.824
flat angles P-C4'-P energy: -97.623
tors. eta vs tors. theta energy: -243.582
Dist. restrs. and SS energy: 6.861 (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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2603.273639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.273639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.125725 (E_RNA)
where:
Base-Base interactions energy: -1868.566
where: short stacking energy: -766.408
Base-Backbone interact. energy: -3.123
local terms energy: -742.436871
where:
bonds (distance) C4'-P energy: -131.184
bonds (distance) P-C4' energy: -122.285
flat angles C4'-P-C4' energy: -149.075
flat angles P-C4'-P energy: -100.901
tors. eta vs tors. theta energy: -238.991
Dist. restrs. and SS energy: 10.852 (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: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2603.478094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.478094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.440852 (E_RNA)
where:
Base-Base interactions energy: -1843.067
where: short stacking energy: -764.176
Base-Backbone interact. energy: -3.711
local terms energy: -759.662480
where:
bonds (distance) C4'-P energy: -125.961
bonds (distance) P-C4' energy: -138.489
flat angles C4'-P-C4' energy: -157.163
flat angles P-C4'-P energy: -105.802
tors. eta vs tors. theta energy: -232.247
Dist. restrs. and SS energy: 2.963 (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: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2461.672013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.672013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.993710 (E_RNA)
where:
Base-Base interactions energy: -1741.095
where: short stacking energy: -705.368
Base-Backbone interact. energy: 0.814
local terms energy: -731.712479
where:
bonds (distance) C4'-P energy: -122.862
bonds (distance) P-C4' energy: -135.530
flat angles C4'-P-C4' energy: -157.518
flat angles P-C4'-P energy: -93.780
tors. eta vs tors. theta energy: -222.022
Dist. restrs. and SS energy: 10.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2394.397520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.397520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.851998 (E_RNA)
where:
Base-Base interactions energy: -1685.543
where: short stacking energy: -697.962
Base-Backbone interact. energy: -2.239
local terms energy: -714.069444
where:
bonds (distance) C4'-P energy: -114.259
bonds (distance) P-C4' energy: -120.579
flat angles C4'-P-C4' energy: -158.442
flat angles P-C4'-P energy: -104.146
tors. eta vs tors. theta energy: -216.643
Dist. restrs. and SS energy: 7.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2393.180899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.615986 (E_RNA)
where:
Base-Base interactions energy: -1703.375
where: short stacking energy: -692.086
Base-Backbone interact. energy: -0.483
local terms energy: -699.758338
where:
bonds (distance) C4'-P energy: -121.722
bonds (distance) P-C4' energy: -118.252
flat angles C4'-P-C4' energy: -147.429
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -219.025
Dist. restrs. and SS energy: 10.435 (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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2205.989196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.989196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.792353 (E_RNA)
where:
Base-Base interactions energy: -1574.406
where: short stacking energy: -637.249
Base-Backbone interact. energy: -2.817
local terms energy: -644.568575
where:
bonds (distance) C4'-P energy: -104.981
bonds (distance) P-C4' energy: -105.280
flat angles C4'-P-C4' energy: -148.073
flat angles P-C4'-P energy: -84.018
tors. eta vs tors. theta energy: -202.216
Dist. restrs. and SS energy: 15.803 (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: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -2043.772092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.772092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.248469 (E_RNA)
where:
Base-Base interactions energy: -1432.661
where: short stacking energy: -588.310
Base-Backbone interact. energy: 3.319
local terms energy: -636.906611
where:
bonds (distance) C4'-P energy: -124.730
bonds (distance) P-C4' energy: -120.567
flat angles C4'-P-C4' energy: -136.453
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -174.171
Dist. restrs. and SS energy: 22.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1890.661683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.661683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.535106 (E_RNA)
where:
Base-Base interactions energy: -1350.079
where: short stacking energy: -530.969
Base-Backbone interact. energy: 1.806
local terms energy: -570.261916
where:
bonds (distance) C4'-P energy: -99.707
bonds (distance) P-C4' energy: -123.693
flat angles C4'-P-C4' energy: -125.564
flat angles P-C4'-P energy: -68.827
tors. eta vs tors. theta energy: -152.471
Dist. restrs. and SS energy: 27.873 (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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2758.325993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.325993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.201414 (E_RNA)
where:
Base-Base interactions energy: -1946.251
where: short stacking energy: -787.986
Base-Backbone interact. energy: -1.794
local terms energy: -820.156902
where:
bonds (distance) C4'-P energy: -141.466
bonds (distance) P-C4' energy: -142.168
flat angles C4'-P-C4' energy: -172.351
flat angles P-C4'-P energy: -123.519
tors. eta vs tors. theta energy: -240.652
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2722.216645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.216645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.350199 (E_RNA)
where:
Base-Base interactions energy: -1929.356
where: short stacking energy: -801.114
Base-Backbone interact. energy: -2.607
local terms energy: -793.387382
where:
bonds (distance) C4'-P energy: -134.904
bonds (distance) P-C4' energy: -120.657
flat angles C4'-P-C4' energy: -166.187
flat angles P-C4'-P energy: -123.663
tors. eta vs tors. theta energy: -247.975
Dist. restrs. and SS energy: 3.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2599.494517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.494517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.780907 (E_RNA)
where:
Base-Base interactions energy: -1844.328
where: short stacking energy: -781.851
Base-Backbone interact. energy: 2.771
local terms energy: -772.223877
where:
bonds (distance) C4'-P energy: -120.353
bonds (distance) P-C4' energy: -146.956
flat angles C4'-P-C4' energy: -158.959
flat angles P-C4'-P energy: -103.848
tors. eta vs tors. theta energy: -242.109
Dist. restrs. and SS energy: 14.286 (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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2577.447497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.447497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.503014 (E_RNA)
where:
Base-Base interactions energy: -1818.777
where: short stacking energy: -741.571
Base-Backbone interact. energy: -0.497
local terms energy: -761.229077
where:
bonds (distance) C4'-P energy: -117.945
bonds (distance) P-C4' energy: -129.449
flat angles C4'-P-C4' energy: -166.286
flat angles P-C4'-P energy: -104.788
tors. eta vs tors. theta energy: -242.761
Dist. restrs. and SS energy: 3.056 (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: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2476.393525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.393525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.472738 (E_RNA)
where:
Base-Base interactions energy: -1747.215
where: short stacking energy: -726.692
Base-Backbone interact. energy: -3.375
local terms energy: -737.883545
where:
bonds (distance) C4'-P energy: -120.080
bonds (distance) P-C4' energy: -139.940
flat angles C4'-P-C4' energy: -163.734
flat angles P-C4'-P energy: -101.450
tors. eta vs tors. theta energy: -212.679
Dist. restrs. and SS energy: 12.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2426.145775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.145775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.123720 (E_RNA)
where:
Base-Base interactions energy: -1732.007
where: short stacking energy: -716.854
Base-Backbone interact. energy: 1.871
local terms energy: -702.988003
where:
bonds (distance) C4'-P energy: -122.421
bonds (distance) P-C4' energy: -118.122
flat angles C4'-P-C4' energy: -139.633
flat angles P-C4'-P energy: -100.899
tors. eta vs tors. theta energy: -221.912
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2366.042296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.042296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.796808 (E_RNA)
where:
Base-Base interactions energy: -1689.327
where: short stacking energy: -685.400
Base-Backbone interact. energy: -1.782
local terms energy: -684.687971
where:
bonds (distance) C4'-P energy: -99.174
bonds (distance) P-C4' energy: -107.470
flat angles C4'-P-C4' energy: -140.126
flat angles P-C4'-P energy: -111.009
tors. eta vs tors. theta energy: -226.909
Dist. restrs. and SS energy: 9.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2188.070403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.070403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.744861 (E_RNA)
where:
Base-Base interactions energy: -1539.246
where: short stacking energy: -652.849
Base-Backbone interact. energy: 2.947
local terms energy: -664.445105
where:
bonds (distance) C4'-P energy: -103.814
bonds (distance) P-C4' energy: -104.448
flat angles C4'-P-C4' energy: -150.930
flat angles P-C4'-P energy: -100.190
tors. eta vs tors. theta energy: -205.063
Dist. restrs. and SS energy: 12.674 (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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -2022.190925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.190925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.402713 (E_RNA)
where:
Base-Base interactions energy: -1417.181
where: short stacking energy: -558.727
Base-Backbone interact. energy: 0.521
local terms energy: -633.742564
where:
bonds (distance) C4'-P energy: -126.490
bonds (distance) P-C4' energy: -135.847
flat angles C4'-P-C4' energy: -127.096
flat angles P-C4'-P energy: -68.672
tors. eta vs tors. theta energy: -175.638
Dist. restrs. and SS energy: 28.212 (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: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1933.409889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.409889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.540824 (E_RNA)
where:
Base-Base interactions energy: -1364.068
where: short stacking energy: -564.125
Base-Backbone interact. energy: 0.295
local terms energy: -589.767701
where:
bonds (distance) C4'-P energy: -107.465
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -125.613
flat angles P-C4'-P energy: -89.874
tors. eta vs tors. theta energy: -160.065
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: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2751.531026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.531026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.354938 (E_RNA)
where:
Base-Base interactions energy: -1946.885
where: short stacking energy: -794.839
Base-Backbone interact. energy: -1.696
local terms energy: -812.773769
where:
bonds (distance) C4'-P energy: -144.576
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -173.267
flat angles P-C4'-P energy: -121.411
tors. eta vs tors. theta energy: -242.005
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2693.820627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.820627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.039365 (E_RNA)
where:
Base-Base interactions energy: -1907.109
where: short stacking energy: -784.997
Base-Backbone interact. energy: 0.903
local terms energy: -789.833741
where:
bonds (distance) C4'-P energy: -132.717
bonds (distance) P-C4' energy: -141.485
flat angles C4'-P-C4' energy: -164.586
flat angles P-C4'-P energy: -102.087
tors. eta vs tors. theta energy: -248.960
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2625.261662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.261662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.377389 (E_RNA)
where:
Base-Base interactions energy: -1869.309
where: short stacking energy: -772.303
Base-Backbone interact. energy: -1.614
local terms energy: -765.454694
where:
bonds (distance) C4'-P energy: -117.977
bonds (distance) P-C4' energy: -139.244
flat angles C4'-P-C4' energy: -158.164
flat angles P-C4'-P energy: -105.463
tors. eta vs tors. theta energy: -244.606
Dist. restrs. and SS energy: 11.116 (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: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2613.314697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.314697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.597267 (E_RNA)
where:
Base-Base interactions energy: -1838.447
where: short stacking energy: -739.751
Base-Backbone interact. energy: -2.685
local terms energy: -776.466067
where:
bonds (distance) C4'-P energy: -122.891
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -171.642
flat angles P-C4'-P energy: -131.297
tors. eta vs tors. theta energy: -224.584
Dist. restrs. and SS energy: 4.283 (S_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: 213
Temperature: 1.100000
Total energy: -2499.404351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.404351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.125948 (E_RNA)
where:
Base-Base interactions energy: -1769.613
where: short stacking energy: -734.796
Base-Backbone interact. energy: -2.594
local terms energy: -738.919224
where:
bonds (distance) C4'-P energy: -114.638
bonds (distance) P-C4' energy: -128.779
flat angles C4'-P-C4' energy: -159.175
flat angles P-C4'-P energy: -106.000
tors. eta vs tors. theta energy: -230.327
Dist. restrs. and SS energy: 11.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2400.789548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.789548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.797415 (E_RNA)
where:
Base-Base interactions energy: -1703.757
where: short stacking energy: -690.176
Base-Backbone interact. energy: -1.449
local terms energy: -703.591967
where:
bonds (distance) C4'-P energy: -128.628
bonds (distance) P-C4' energy: -117.842
flat angles C4'-P-C4' energy: -155.345
flat angles P-C4'-P energy: -93.734
tors. eta vs tors. theta energy: -208.044
Dist. restrs. and SS energy: 8.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2383.343961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.343961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.654083 (E_RNA)
where:
Base-Base interactions energy: -1686.779
where: short stacking energy: -677.078
Base-Backbone interact. energy: -2.742
local terms energy: -703.132666
where:
bonds (distance) C4'-P energy: -114.571
bonds (distance) P-C4' energy: -126.968
flat angles C4'-P-C4' energy: -163.371
flat angles P-C4'-P energy: -77.200
tors. eta vs tors. theta energy: -221.021
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: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2254.241394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.241394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.513372 (E_RNA)
where:
Base-Base interactions energy: -1568.217
where: short stacking energy: -651.456
Base-Backbone interact. energy: 0.086
local terms energy: -700.382909
where:
bonds (distance) C4'-P energy: -137.631
bonds (distance) P-C4' energy: -117.803
flat angles C4'-P-C4' energy: -137.214
flat angles P-C4'-P energy: -115.709
tors. eta vs tors. theta energy: -192.026
Dist. restrs. and SS energy: 14.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -2007.525319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.525319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.617905 (E_RNA)
where:
Base-Base interactions energy: -1439.659
where: short stacking energy: -595.729
Base-Backbone interact. energy: -4.933
local terms energy: -601.025385
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -114.893
flat angles C4'-P-C4' energy: -124.678
flat angles P-C4'-P energy: -73.518
tors. eta vs tors. theta energy: -181.041
Dist. restrs. and SS energy: 38.093 (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: 213
Temperature: 1.350000
Total energy: -1985.030188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.030188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.093091 (E_RNA)
where:
Base-Base interactions energy: -1443.935
where: short stacking energy: -591.809
Base-Backbone interact. energy: 0.018
local terms energy: -557.176469
where:
bonds (distance) C4'-P energy: -101.455
bonds (distance) P-C4' energy: -102.840
flat angles C4'-P-C4' energy: -123.273
flat angles P-C4'-P energy: -71.906
tors. eta vs tors. theta energy: -157.703
Dist. restrs. and SS energy: 16.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2771.202511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.202511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.686459 (E_RNA)
where:
Base-Base interactions energy: -1954.724
where: short stacking energy: -810.651
Base-Backbone interact. energy: 3.648
local terms energy: -826.610246
where:
bonds (distance) C4'-P energy: -137.084
bonds (distance) P-C4' energy: -153.574
flat angles C4'-P-C4' energy: -168.165
flat angles P-C4'-P energy: -122.166
tors. eta vs tors. theta energy: -245.621
Dist. restrs. and SS energy: 6.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2697.724112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.724112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.833474 (E_RNA)
where:
Base-Base interactions energy: -1891.115
where: short stacking energy: -786.652
Base-Backbone interact. energy: -0.445
local terms energy: -810.273065
where:
bonds (distance) C4'-P energy: -149.137
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -160.618
flat angles P-C4'-P energy: -103.285
tors. eta vs tors. theta energy: -254.085
Dist. restrs. and SS energy: 4.109 (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: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2617.573787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.573787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.175551 (E_RNA)
where:
Base-Base interactions energy: -1865.023
where: short stacking energy: -770.520
Base-Backbone interact. energy: 1.003
local terms energy: -765.155439
where:
bonds (distance) C4'-P energy: -124.874
bonds (distance) P-C4' energy: -128.286
flat angles C4'-P-C4' energy: -168.695
flat angles P-C4'-P energy: -107.251
tors. eta vs tors. theta energy: -236.050
Dist. restrs. and SS energy: 11.602 (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: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2568.806773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.806773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.834537 (E_RNA)
where:
Base-Base interactions energy: -1819.198
where: short stacking energy: -730.552
Base-Backbone interact. energy: -3.161
local terms energy: -749.475470
where:
bonds (distance) C4'-P energy: -138.796
bonds (distance) P-C4' energy: -135.448
flat angles C4'-P-C4' energy: -141.343
flat angles P-C4'-P energy: -112.459
tors. eta vs tors. theta energy: -221.430
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2460.233041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.233041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.150171 (E_RNA)
where:
Base-Base interactions energy: -1735.872
where: short stacking energy: -691.813
Base-Backbone interact. energy: -3.178
local terms energy: -732.100073
where:
bonds (distance) C4'-P energy: -119.302
bonds (distance) P-C4' energy: -127.055
flat angles C4'-P-C4' energy: -161.114
flat angles P-C4'-P energy: -92.532
tors. eta vs tors. theta energy: -232.097
Dist. restrs. and SS energy: 10.917 (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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2440.684071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.684071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.095594 (E_RNA)
where:
Base-Base interactions energy: -1729.989
where: short stacking energy: -700.305
Base-Backbone interact. energy: -1.481
local terms energy: -716.625733
where:
bonds (distance) C4'-P energy: -115.921
bonds (distance) P-C4' energy: -125.279
flat angles C4'-P-C4' energy: -155.144
flat angles P-C4'-P energy: -103.210
tors. eta vs tors. theta energy: -217.072
Dist. restrs. and SS energy: 7.412 (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: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2324.466282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.466282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.107775 (E_RNA)
where:
Base-Base interactions energy: -1659.610
where: short stacking energy: -682.564
Base-Backbone interact. energy: -3.481
local terms energy: -670.016352
where:
bonds (distance) C4'-P energy: -95.523
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -147.254
flat angles P-C4'-P energy: -117.739
tors. eta vs tors. theta energy: -210.535
Dist. restrs. and SS energy: 8.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2148.105321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.105321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.841850 (E_RNA)
where:
Base-Base interactions energy: -1536.474
where: short stacking energy: -635.174
Base-Backbone interact. energy: -3.031
local terms energy: -621.336582
where:
bonds (distance) C4'-P energy: -92.317
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -142.449
flat angles P-C4'-P energy: -83.970
tors. eta vs tors. theta energy: -183.639
Dist. restrs. and SS energy: 12.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2000.775689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.775689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.792571 (E_RNA)
where:
Base-Base interactions energy: -1449.936
where: short stacking energy: -585.056
Base-Backbone interact. energy: -0.768
local terms energy: -574.088921
where:
bonds (distance) C4'-P energy: -87.820
bonds (distance) P-C4' energy: -103.995
flat angles C4'-P-C4' energy: -132.433
flat angles P-C4'-P energy: -85.166
tors. eta vs tors. theta energy: -164.675
Dist. restrs. and SS energy: 24.017 (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: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1940.100684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.100684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.550970 (E_RNA)
where:
Base-Base interactions energy: -1384.575
where: short stacking energy: -556.779
Base-Backbone interact. energy: -0.665
local terms energy: -571.311538
where:
bonds (distance) C4'-P energy: -134.730
bonds (distance) P-C4' energy: -83.445
flat angles C4'-P-C4' energy: -118.289
flat angles P-C4'-P energy: -79.040
tors. eta vs tors. theta energy: -155.808
Dist. restrs. and SS energy: 16.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2751.346826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.346826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.394800 (E_RNA)
where:
Base-Base interactions energy: -1935.167
where: short stacking energy: -784.501
Base-Backbone interact. energy: -0.491
local terms energy: -823.737312
where:
bonds (distance) C4'-P energy: -141.964
bonds (distance) P-C4' energy: -145.080
flat angles C4'-P-C4' energy: -164.709
flat angles P-C4'-P energy: -128.825
tors. eta vs tors. theta energy: -243.159
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: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2665.430426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.430426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.541992 (E_RNA)
where:
Base-Base interactions energy: -1890.190
where: short stacking energy: -772.352
Base-Backbone interact. energy: 0.005
local terms energy: -783.357500
where:
bonds (distance) C4'-P energy: -135.551
bonds (distance) P-C4' energy: -136.687
flat angles C4'-P-C4' energy: -158.859
flat angles P-C4'-P energy: -107.198
tors. eta vs tors. theta energy: -245.062
Dist. restrs. and SS energy: 8.112 (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: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2655.571710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.571710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.471913 (E_RNA)
where:
Base-Base interactions energy: -1879.013
where: short stacking energy: -770.183
Base-Backbone interact. energy: -2.661
local terms energy: -776.797739
where:
bonds (distance) C4'-P energy: -137.670
bonds (distance) P-C4' energy: -123.533
flat angles C4'-P-C4' energy: -160.159
flat angles P-C4'-P energy: -107.280
tors. eta vs tors. theta energy: -248.156
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2556.041678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.041678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.955370 (E_RNA)
where:
Base-Base interactions energy: -1799.516
where: short stacking energy: -743.027
Base-Backbone interact. energy: -1.555
local terms energy: -758.884272
where:
bonds (distance) C4'-P energy: -126.509
bonds (distance) P-C4' energy: -125.547
flat angles C4'-P-C4' energy: -158.780
flat angles P-C4'-P energy: -109.359
tors. eta vs tors. theta energy: -238.690
Dist. restrs. and SS energy: 3.914 (S_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: 215
Temperature: 1.100000
Total energy: -2461.841325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.841325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.831496 (E_RNA)
where:
Base-Base interactions energy: -1762.051
where: short stacking energy: -717.964
Base-Backbone interact. energy: -3.017
local terms energy: -706.762755
where:
bonds (distance) C4'-P energy: -113.138
bonds (distance) P-C4' energy: -122.027
flat angles C4'-P-C4' energy: -138.544
flat angles P-C4'-P energy: -106.460
tors. eta vs tors. theta energy: -226.594
Dist. restrs. and SS energy: 9.990 (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: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2358.079576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.977318 (E_RNA)
where:
Base-Base interactions energy: -1680.177
where: short stacking energy: -677.178
Base-Backbone interact. energy: -3.531
local terms energy: -682.269759
where:
bonds (distance) C4'-P energy: -125.018
bonds (distance) P-C4' energy: -134.618
flat angles C4'-P-C4' energy: -130.476
flat angles P-C4'-P energy: -93.704
tors. eta vs tors. theta energy: -198.454
Dist. restrs. and SS energy: 7.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2321.905527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.905527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.267507 (E_RNA)
where:
Base-Base interactions energy: -1644.753
where: short stacking energy: -666.756
Base-Backbone interact. energy: -1.987
local terms energy: -681.527321
where:
bonds (distance) C4'-P energy: -103.905
bonds (distance) P-C4' energy: -129.338
flat angles C4'-P-C4' energy: -145.712
flat angles P-C4'-P energy: -99.609
tors. eta vs tors. theta energy: -202.964
Dist. restrs. and SS energy: 6.362 (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: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2141.428672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.428672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.100512 (E_RNA)
where:
Base-Base interactions energy: -1509.788
where: short stacking energy: -623.707
Base-Backbone interact. energy: 0.922
local terms energy: -655.234245
where:
bonds (distance) C4'-P energy: -104.340
bonds (distance) P-C4' energy: -117.891
flat angles C4'-P-C4' energy: -159.678
flat angles P-C4'-P energy: -82.237
tors. eta vs tors. theta energy: -191.088
Dist. restrs. and SS energy: 22.672 (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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -2021.941171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.941171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.425535 (E_RNA)
where:
Base-Base interactions energy: -1419.679
where: short stacking energy: -561.581
Base-Backbone interact. energy: 1.840
local terms energy: -627.586036
where:
bonds (distance) C4'-P energy: -114.716
bonds (distance) P-C4' energy: -121.019
flat angles C4'-P-C4' energy: -136.987
flat angles P-C4'-P energy: -81.996
tors. eta vs tors. theta energy: -172.867
Dist. restrs. and SS energy: 23.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1962.952836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.952836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.501840 (E_RNA)
where:
Base-Base interactions energy: -1413.798
where: short stacking energy: -585.456
Base-Backbone interact. energy: -0.617
local terms energy: -578.086378
where:
bonds (distance) C4'-P energy: -99.131
bonds (distance) P-C4' energy: -105.531
flat angles C4'-P-C4' energy: -127.164
flat angles P-C4'-P energy: -76.876
tors. eta vs tors. theta energy: -169.384
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: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2740.854778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.854778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.149718 (E_RNA)
where:
Base-Base interactions energy: -1920.995
where: short stacking energy: -794.804
Base-Backbone interact. energy: -2.244
local terms energy: -823.910810
where:
bonds (distance) C4'-P energy: -156.661
bonds (distance) P-C4' energy: -133.945
flat angles C4'-P-C4' energy: -168.372
flat angles P-C4'-P energy: -123.177
tors. eta vs tors. theta energy: -241.756
Dist. restrs. and SS energy: 6.295 (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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2680.388528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.388528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.985168 (E_RNA)
where:
Base-Base interactions energy: -1891.120
where: short stacking energy: -760.385
Base-Backbone interact. energy: -4.121
local terms energy: -791.743782
where:
bonds (distance) C4'-P energy: -135.274
bonds (distance) P-C4' energy: -136.409
flat angles C4'-P-C4' energy: -165.737
flat angles P-C4'-P energy: -111.077
tors. eta vs tors. theta energy: -243.248
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: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2626.854185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.854185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.805800 (E_RNA)
where:
Base-Base interactions energy: -1859.935
where: short stacking energy: -770.420
Base-Backbone interact. energy: -1.650
local terms energy: -770.219976
where:
bonds (distance) C4'-P energy: -118.034
bonds (distance) P-C4' energy: -126.942
flat angles C4'-P-C4' energy: -166.375
flat angles P-C4'-P energy: -114.940
tors. eta vs tors. theta energy: -243.930
Dist. restrs. and SS energy: 4.952 (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: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2584.966680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.966680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.955040 (E_RNA)
where:
Base-Base interactions energy: -1837.494
where: short stacking energy: -742.554
Base-Backbone interact. energy: -3.429
local terms energy: -748.031769
where:
bonds (distance) C4'-P energy: -114.454
bonds (distance) P-C4' energy: -136.953
flat angles C4'-P-C4' energy: -161.857
flat angles P-C4'-P energy: -106.950
tors. eta vs tors. theta energy: -227.818
Dist. restrs. and SS energy: 3.988 (S_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: 216
Temperature: 1.100000
Total energy: -2477.011297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.011297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.281218 (E_RNA)
where:
Base-Base interactions energy: -1796.045
where: short stacking energy: -736.120
Base-Backbone interact. energy: -2.535
local terms energy: -694.701054
where:
bonds (distance) C4'-P energy: -119.465
bonds (distance) P-C4' energy: -118.378
flat angles C4'-P-C4' energy: -143.829
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -224.484
Dist. restrs. and SS energy: 16.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2383.902829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.902829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.063877 (E_RNA)
where:
Base-Base interactions energy: -1689.624
where: short stacking energy: -701.604
Base-Backbone interact. energy: -2.515
local terms energy: -697.924964
where:
bonds (distance) C4'-P energy: -141.733
bonds (distance) P-C4' energy: -110.868
flat angles C4'-P-C4' energy: -142.970
flat angles P-C4'-P energy: -88.866
tors. eta vs tors. theta energy: -213.488
Dist. restrs. and SS energy: 6.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2356.456793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.470259 (E_RNA)
where:
Base-Base interactions energy: -1641.542
where: short stacking energy: -647.673
Base-Backbone interact. energy: -4.199
local terms energy: -715.729239
where:
bonds (distance) C4'-P energy: -127.027
bonds (distance) P-C4' energy: -118.930
flat angles C4'-P-C4' energy: -157.788
flat angles P-C4'-P energy: -97.811
tors. eta vs tors. theta energy: -214.174
Dist. restrs. and SS energy: 5.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2134.168380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.168380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.167554 (E_RNA)
where:
Base-Base interactions energy: -1499.942
where: short stacking energy: -600.372
Base-Backbone interact. energy: -2.809
local terms energy: -652.416402
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -117.513
flat angles C4'-P-C4' energy: -149.964
flat angles P-C4'-P energy: -94.734
tors. eta vs tors. theta energy: -179.354
Dist. restrs. and SS energy: 20.999 (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: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -2008.003742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.003742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.610500 (E_RNA)
where:
Base-Base interactions energy: -1425.072
where: short stacking energy: -562.120
Base-Backbone interact. energy: -4.181
local terms energy: -605.357232
where:
bonds (distance) C4'-P energy: -108.274
bonds (distance) P-C4' energy: -117.148
flat angles C4'-P-C4' energy: -136.857
flat angles P-C4'-P energy: -80.018
tors. eta vs tors. theta energy: -163.060
Dist. restrs. and SS energy: 26.607 (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: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1968.056888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.056888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.433259 (E_RNA)
where:
Base-Base interactions energy: -1415.289
where: short stacking energy: -571.011
Base-Backbone interact. energy: -1.141
local terms energy: -588.003139
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -120.510
flat angles C4'-P-C4' energy: -135.440
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -165.996
Dist. restrs. and SS energy: 36.376 (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: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2742.777945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.777945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.752571 (E_RNA)
where:
Base-Base interactions energy: -1959.542
where: short stacking energy: -811.945
Base-Backbone interact. energy: 1.451
local terms energy: -792.661376
where:
bonds (distance) C4'-P energy: -135.682
bonds (distance) P-C4' energy: -132.721
flat angles C4'-P-C4' energy: -165.165
flat angles P-C4'-P energy: -123.233
tors. eta vs tors. theta energy: -235.861
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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2703.039224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.039224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.185639 (E_RNA)
where:
Base-Base interactions energy: -1898.188
where: short stacking energy: -784.022
Base-Backbone interact. energy: -1.992
local terms energy: -808.005578
where:
bonds (distance) C4'-P energy: -130.009
bonds (distance) P-C4' energy: -140.157
flat angles C4'-P-C4' energy: -166.406
flat angles P-C4'-P energy: -122.557
tors. eta vs tors. theta energy: -248.876
Dist. restrs. and SS energy: 5.146 (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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2618.730909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.730909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.210415 (E_RNA)
where:
Base-Base interactions energy: -1852.776
where: short stacking energy: -755.304
Base-Backbone interact. energy: -2.110
local terms energy: -775.324911
where:
bonds (distance) C4'-P energy: -134.795
bonds (distance) P-C4' energy: -131.757
flat angles C4'-P-C4' energy: -163.748
flat angles P-C4'-P energy: -108.560
tors. eta vs tors. theta energy: -236.466
Dist. restrs. and SS energy: 11.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2579.112384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.112384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.926795 (E_RNA)
where:
Base-Base interactions energy: -1825.291
where: short stacking energy: -739.724
Base-Backbone interact. energy: -5.092
local terms energy: -752.544030
where:
bonds (distance) C4'-P energy: -120.780
bonds (distance) P-C4' energy: -137.740
flat angles C4'-P-C4' energy: -158.802
flat angles P-C4'-P energy: -105.985
tors. eta vs tors. theta energy: -229.238
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: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2469.141399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.141399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.467452 (E_RNA)
where:
Base-Base interactions energy: -1784.493
where: short stacking energy: -734.761
Base-Backbone interact. energy: -2.449
local terms energy: -694.525017
where:
bonds (distance) C4'-P energy: -110.231
bonds (distance) P-C4' energy: -118.365
flat angles C4'-P-C4' energy: -158.588
flat angles P-C4'-P energy: -84.898
tors. eta vs tors. theta energy: -222.443
Dist. restrs. and SS energy: 12.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2414.840619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.840619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.522783 (E_RNA)
where:
Base-Base interactions energy: -1714.264
where: short stacking energy: -704.621
Base-Backbone interact. energy: 0.354
local terms energy: -708.613018
where:
bonds (distance) C4'-P energy: -120.666
bonds (distance) P-C4' energy: -118.551
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -97.687
tors. eta vs tors. theta energy: -224.051
Dist. restrs. and SS energy: 7.682 (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: 217
Temperature: 1.200000
Total energy: -2337.116272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.116272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.686621 (E_RNA)
where:
Base-Base interactions energy: -1645.718
where: short stacking energy: -656.426
Base-Backbone interact. energy: -1.241
local terms energy: -696.726832
where:
bonds (distance) C4'-P energy: -113.843
bonds (distance) P-C4' energy: -141.308
flat angles C4'-P-C4' energy: -143.024
flat angles P-C4'-P energy: -87.074
tors. eta vs tors. theta energy: -211.478
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: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2108.267840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.267840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.024620 (E_RNA)
where:
Base-Base interactions energy: -1514.472
where: short stacking energy: -611.951
Base-Backbone interact. energy: -1.719
local terms energy: -617.833105
where:
bonds (distance) C4'-P energy: -108.543
bonds (distance) P-C4' energy: -115.517
flat angles C4'-P-C4' energy: -139.944
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -188.637
Dist. restrs. and SS energy: 25.757 (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: 217
Temperature: 1.300000
Total energy: -2010.822100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.822100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.072676 (E_RNA)
where:
Base-Base interactions energy: -1444.395
where: short stacking energy: -573.943
Base-Backbone interact. energy: -2.158
local terms energy: -583.520178
where:
bonds (distance) C4'-P energy: -114.995
bonds (distance) P-C4' energy: -105.360
flat angles C4'-P-C4' energy: -133.202
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -171.575
Dist. restrs. and SS energy: 19.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1864.082978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.082978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.286816 (E_RNA)
where:
Base-Base interactions energy: -1344.462
where: short stacking energy: -524.892
Base-Backbone interact. energy: -0.188
local terms energy: -538.637481
where:
bonds (distance) C4'-P energy: -108.024
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -116.130
flat angles P-C4'-P energy: -59.034
tors. eta vs tors. theta energy: -160.217
Dist. restrs. and SS energy: 19.204 (S_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: 218
Temperature: 0.900000
Total energy: -2744.125576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.125576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.732641 (E_RNA)
where:
Base-Base interactions energy: -1943.675
where: short stacking energy: -798.365
Base-Backbone interact. energy: -2.563
local terms energy: -805.495170
where:
bonds (distance) C4'-P energy: -139.039
bonds (distance) P-C4' energy: -136.369
flat angles C4'-P-C4' energy: -168.776
flat angles P-C4'-P energy: -117.867
tors. eta vs tors. theta energy: -243.444
Dist. restrs. and SS energy: 7.607 (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: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2697.724765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.724765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.801906 (E_RNA)
where:
Base-Base interactions energy: -1921.136
where: short stacking energy: -787.854
Base-Backbone interact. energy: -1.952
local terms energy: -777.713398
where:
bonds (distance) C4'-P energy: -130.288
bonds (distance) P-C4' energy: -136.501
flat angles C4'-P-C4' energy: -155.389
flat angles P-C4'-P energy: -110.664
tors. eta vs tors. theta energy: -244.871
Dist. restrs. and SS energy: 3.077 (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: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2644.892084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.892084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.753603 (E_RNA)
where:
Base-Base interactions energy: -1858.637
where: short stacking energy: -764.704
Base-Backbone interact. energy: 0.840
local terms energy: -800.956912
where:
bonds (distance) C4'-P energy: -135.534
bonds (distance) P-C4' energy: -140.417
flat angles C4'-P-C4' energy: -167.283
flat angles P-C4'-P energy: -115.487
tors. eta vs tors. theta energy: -242.236
Dist. restrs. and SS energy: 13.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2570.289598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.289598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.128811 (E_RNA)
where:
Base-Base interactions energy: -1825.245
where: short stacking energy: -728.287
Base-Backbone interact. energy: -4.638
local terms energy: -744.246040
where:
bonds (distance) C4'-P energy: -121.570
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -163.610
flat angles P-C4'-P energy: -112.051
tors. eta vs tors. theta energy: -221.716
Dist. restrs. and SS energy: 3.839 (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: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2480.948066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.948066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.105622 (E_RNA)
where:
Base-Base interactions energy: -1765.097
where: short stacking energy: -705.686
Base-Backbone interact. energy: -1.619
local terms energy: -726.390033
where:
bonds (distance) C4'-P energy: -120.381
bonds (distance) P-C4' energy: -114.617
flat angles C4'-P-C4' energy: -152.860
flat angles P-C4'-P energy: -105.148
tors. eta vs tors. theta energy: -233.384
Dist. restrs. and SS energy: 12.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2424.447916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.447916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.855076 (E_RNA)
where:
Base-Base interactions energy: -1702.736
where: short stacking energy: -678.843
Base-Backbone interact. energy: -2.254
local terms energy: -727.864906
where:
bonds (distance) C4'-P energy: -122.866
bonds (distance) P-C4' energy: -125.161
flat angles C4'-P-C4' energy: -153.870
flat angles P-C4'-P energy: -102.872
tors. eta vs tors. theta energy: -223.096
Dist. restrs. and SS energy: 8.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2374.404262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.404262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.518488 (E_RNA)
where:
Base-Base interactions energy: -1707.720
where: short stacking energy: -704.838
Base-Backbone interact. energy: -2.546
local terms energy: -671.252839
where:
bonds (distance) C4'-P energy: -122.572
bonds (distance) P-C4' energy: -95.382
flat angles C4'-P-C4' energy: -134.445
flat angles P-C4'-P energy: -103.660
tors. eta vs tors. theta energy: -215.194
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: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2157.519787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.519787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.970944 (E_RNA)
where:
Base-Base interactions energy: -1570.166
where: short stacking energy: -639.099
Base-Backbone interact. energy: 2.918
local terms energy: -610.723064
where:
bonds (distance) C4'-P energy: -101.211
bonds (distance) P-C4' energy: -86.358
flat angles C4'-P-C4' energy: -139.017
flat angles P-C4'-P energy: -91.895
tors. eta vs tors. theta energy: -192.241
Dist. restrs. and SS energy: 20.451 (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: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -2079.300479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.300479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.210885 (E_RNA)
where:
Base-Base interactions energy: -1480.651
where: short stacking energy: -592.917
Base-Backbone interact. energy: -1.972
local terms energy: -618.587186
where:
bonds (distance) C4'-P energy: -115.845
bonds (distance) P-C4' energy: -109.462
flat angles C4'-P-C4' energy: -133.851
flat angles P-C4'-P energy: -85.202
tors. eta vs tors. theta energy: -174.226
Dist. restrs. and SS energy: 21.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1927.058409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.058409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.511250 (E_RNA)
where:
Base-Base interactions energy: -1397.219
where: short stacking energy: -534.595
Base-Backbone interact. energy: 4.809
local terms energy: -556.101534
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -94.211
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -164.792
Dist. restrs. and SS energy: 21.453 (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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2740.612909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.612909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.202447 (E_RNA)
where:
Base-Base interactions energy: -1958.989
where: short stacking energy: -791.553
Base-Backbone interact. energy: -1.155
local terms energy: -788.057790
where:
bonds (distance) C4'-P energy: -129.860
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -169.570
flat angles P-C4'-P energy: -119.396
tors. eta vs tors. theta energy: -238.498
Dist. restrs. and SS energy: 7.590 (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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2678.837987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.837987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.860720 (E_RNA)
where:
Base-Base interactions energy: -1902.882
where: short stacking energy: -772.775
Base-Backbone interact. energy: -2.488
local terms energy: -785.490471
where:
bonds (distance) C4'-P energy: -131.065
bonds (distance) P-C4' energy: -131.465
flat angles C4'-P-C4' energy: -153.438
flat angles P-C4'-P energy: -125.954
tors. eta vs tors. theta energy: -243.569
Dist. restrs. and SS energy: 12.023 (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: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2647.182815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.182815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.839618 (E_RNA)
where:
Base-Base interactions energy: -1891.725
where: short stacking energy: -739.397
Base-Backbone interact. energy: -3.105
local terms energy: -755.009814
where:
bonds (distance) C4'-P energy: -134.664
bonds (distance) P-C4' energy: -122.518
flat angles C4'-P-C4' energy: -155.246
flat angles P-C4'-P energy: -113.501
tors. eta vs tors. theta energy: -229.081
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2563.849056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.849056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.906688 (E_RNA)
where:
Base-Base interactions energy: -1815.017
where: short stacking energy: -749.564
Base-Backbone interact. energy: 0.623
local terms energy: -751.512901
where:
bonds (distance) C4'-P energy: -125.084
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -162.161
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -227.522
Dist. restrs. and SS energy: 2.058 (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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2466.095016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.095016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.159572 (E_RNA)
where:
Base-Base interactions energy: -1735.930
where: short stacking energy: -726.005
Base-Backbone interact. energy: -0.897
local terms energy: -735.332435
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -126.682
flat angles C4'-P-C4' energy: -160.242
flat angles P-C4'-P energy: -104.951
tors. eta vs tors. theta energy: -225.405
Dist. restrs. and SS energy: 6.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2400.044809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.044809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.112335 (E_RNA)
where:
Base-Base interactions energy: -1697.253
where: short stacking energy: -699.216
Base-Backbone interact. energy: -1.058
local terms energy: -710.801450
where:
bonds (distance) C4'-P energy: -135.847
bonds (distance) P-C4' energy: -132.931
flat angles C4'-P-C4' energy: -133.491
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -218.772
Dist. restrs. and SS energy: 9.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2286.771806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.669164 (E_RNA)
where:
Base-Base interactions energy: -1624.248
where: short stacking energy: -667.776
Base-Backbone interact. energy: -2.277
local terms energy: -674.144140
where:
bonds (distance) C4'-P energy: -129.832
bonds (distance) P-C4' energy: -105.049
flat angles C4'-P-C4' energy: -141.346
flat angles P-C4'-P energy: -87.246
tors. eta vs tors. theta energy: -210.672
Dist. restrs. and SS energy: 13.897 (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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2148.791745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.791745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.005539 (E_RNA)
where:
Base-Base interactions energy: -1530.553
where: short stacking energy: -626.642
Base-Backbone interact. energy: 0.121
local terms energy: -637.573536
where:
bonds (distance) C4'-P energy: -117.475
bonds (distance) P-C4' energy: -115.118
flat angles C4'-P-C4' energy: -138.227
flat angles P-C4'-P energy: -86.962
tors. eta vs tors. theta energy: -179.792
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -2057.141065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.141065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.438807 (E_RNA)
where:
Base-Base interactions energy: -1449.249
where: short stacking energy: -596.181
Base-Backbone interact. energy: -1.459
local terms energy: -633.730140
where:
bonds (distance) C4'-P energy: -108.371
bonds (distance) P-C4' energy: -126.666
flat angles C4'-P-C4' energy: -138.690
flat angles P-C4'-P energy: -83.580
tors. eta vs tors. theta energy: -176.423
Dist. restrs. and SS energy: 27.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1864.996425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.996425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.828015 (E_RNA)
where:
Base-Base interactions energy: -1337.417
where: short stacking energy: -556.213
Base-Backbone interact. energy: 1.384
local terms energy: -555.794965
where:
bonds (distance) C4'-P energy: -95.852
bonds (distance) P-C4' energy: -99.377
flat angles C4'-P-C4' energy: -134.733
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -166.921
Dist. restrs. and SS energy: 26.832 (S_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: 220
Temperature: 0.900000
Total energy: -2753.765006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.765006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.382950 (E_RNA)
where:
Base-Base interactions energy: -1923.910
where: short stacking energy: -807.814
Base-Backbone interact. energy: -2.399
local terms energy: -834.073748
where:
bonds (distance) C4'-P energy: -145.398
bonds (distance) P-C4' energy: -152.444
flat angles C4'-P-C4' energy: -168.548
flat angles P-C4'-P energy: -120.462
tors. eta vs tors. theta energy: -247.222
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2682.471833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.471833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.806759 (E_RNA)
where:
Base-Base interactions energy: -1890.478
where: short stacking energy: -765.713
Base-Backbone interact. energy: -2.106
local terms energy: -800.222562
where:
bonds (distance) C4'-P energy: -135.533
bonds (distance) P-C4' energy: -141.567
flat angles C4'-P-C4' energy: -162.983
flat angles P-C4'-P energy: -123.852
tors. eta vs tors. theta energy: -236.287
Dist. restrs. and SS energy: 10.335 (S_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: 220
Temperature: 1.000000
Total energy: -2637.997799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.997799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.927080 (E_RNA)
where:
Base-Base interactions energy: -1863.005
where: short stacking energy: -749.633
Base-Backbone interact. energy: -2.159
local terms energy: -775.762993
where:
bonds (distance) C4'-P energy: -140.684
bonds (distance) P-C4' energy: -136.155
flat angles C4'-P-C4' energy: -150.756
flat angles P-C4'-P energy: -110.664
tors. eta vs tors. theta energy: -237.504
Dist. restrs. and SS energy: 2.929 (S_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: 220
Temperature: 1.050000
Total energy: -2594.288971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.288971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.265017 (E_RNA)
where:
Base-Base interactions energy: -1848.971
where: short stacking energy: -729.184
Base-Backbone interact. energy: -1.120
local terms energy: -747.174265
where:
bonds (distance) C4'-P energy: -131.863
bonds (distance) P-C4' energy: -125.485
flat angles C4'-P-C4' energy: -156.999
flat angles P-C4'-P energy: -107.545
tors. eta vs tors. theta energy: -225.283
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. 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: -2478.219236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.219236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.154221 (E_RNA)
where:
Base-Base interactions energy: -1774.101
where: short stacking energy: -707.573
Base-Backbone interact. energy: -3.587
local terms energy: -711.466050
where:
bonds (distance) C4'-P energy: -107.816
bonds (distance) P-C4' energy: -127.327
flat angles C4'-P-C4' energy: -148.251
flat angles P-C4'-P energy: -112.064
tors. eta vs tors. theta energy: -216.007
Dist. restrs. and SS energy: 10.935 (S_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: 220
Temperature: 1.150000
Total energy: -2386.736904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.736904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.097523 (E_RNA)
where:
Base-Base interactions energy: -1708.046
where: short stacking energy: -689.030
Base-Backbone interact. energy: 5.252
local terms energy: -690.303550
where:
bonds (distance) C4'-P energy: -111.023
bonds (distance) P-C4' energy: -113.715
flat angles C4'-P-C4' energy: -151.570
flat angles P-C4'-P energy: -102.642
tors. eta vs tors. theta energy: -211.354
Dist. restrs. and SS energy: 6.361 (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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2330.684198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.684198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.272185 (E_RNA)
where:
Base-Base interactions energy: -1672.218
where: short stacking energy: -680.787
Base-Backbone interact. energy: 0.818
local terms energy: -667.871828
where:
bonds (distance) C4'-P energy: -109.365
bonds (distance) P-C4' energy: -111.879
flat angles C4'-P-C4' energy: -137.948
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -212.748
Dist. restrs. and SS energy: 8.588 (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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2179.630876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.630876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.481492 (E_RNA)
where:
Base-Base interactions energy: -1535.734
where: short stacking energy: -651.223
Base-Backbone interact. energy: -1.004
local terms energy: -662.743862
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -131.797
flat angles C4'-P-C4' energy: -139.149
flat angles P-C4'-P energy: -92.233
tors. eta vs tors. theta energy: -207.197
Dist. restrs. and SS energy: 19.851 (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: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -2067.456113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.456113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.392087 (E_RNA)
where:
Base-Base interactions energy: -1486.392
where: short stacking energy: -588.153
Base-Backbone interact. energy: -2.276
local terms energy: -598.724342
where:
bonds (distance) C4'-P energy: -98.025
bonds (distance) P-C4' energy: -92.854
flat angles C4'-P-C4' energy: -147.323
flat angles P-C4'-P energy: -79.436
tors. eta vs tors. theta energy: -181.085
Dist. restrs. and SS energy: 19.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1967.551095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.551095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.570442 (E_RNA)
where:
Base-Base interactions energy: -1414.058
where: short stacking energy: -593.616
Base-Backbone interact. energy: 1.554
local terms energy: -577.066192
where:
bonds (distance) C4'-P energy: -92.862
bonds (distance) P-C4' energy: -102.968
flat angles C4'-P-C4' energy: -122.681
flat angles P-C4'-P energy: -88.181
tors. eta vs tors. theta energy: -170.373
Dist. restrs. and SS energy: 22.019 (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: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2759.723504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.723504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.457876 (E_RNA)
where:
Base-Base interactions energy: -1956.948
where: short stacking energy: -784.015
Base-Backbone interact. energy: -2.700
local terms energy: -808.809137
where:
bonds (distance) C4'-P energy: -138.048
bonds (distance) P-C4' energy: -138.197
flat angles C4'-P-C4' energy: -167.882
flat angles P-C4'-P energy: -121.973
tors. eta vs tors. theta energy: -242.709
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: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2677.153454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.153454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.114816 (E_RNA)
where:
Base-Base interactions energy: -1898.710
where: short stacking energy: -782.041
Base-Backbone interact. energy: 4.404
local terms energy: -794.809192
where:
bonds (distance) C4'-P energy: -121.951
bonds (distance) P-C4' energy: -137.815
flat angles C4'-P-C4' energy: -170.462
flat angles P-C4'-P energy: -117.675
tors. eta vs tors. theta energy: -246.905
Dist. restrs. and SS energy: 11.961 (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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2636.380915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.380915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.304927 (E_RNA)
where:
Base-Base interactions energy: -1893.345
where: short stacking energy: -775.268
Base-Backbone interact. energy: -2.560
local terms energy: -744.400258
where:
bonds (distance) C4'-P energy: -123.133
bonds (distance) P-C4' energy: -135.119
flat angles C4'-P-C4' energy: -152.715
flat angles P-C4'-P energy: -102.882
tors. eta vs tors. theta energy: -230.552
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: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2587.819143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.819143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.698396 (E_RNA)
where:
Base-Base interactions energy: -1848.033
where: short stacking energy: -739.906
Base-Backbone interact. energy: -0.612
local terms energy: -744.052689
where:
bonds (distance) C4'-P energy: -126.977
bonds (distance) P-C4' energy: -129.163
flat angles C4'-P-C4' energy: -151.221
flat angles P-C4'-P energy: -102.128
tors. eta vs tors. theta energy: -234.564
Dist. restrs. and SS energy: 4.879 (S_DIST_RNA)
chem. 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: -2467.592444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.592444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.351152 (E_RNA)
where:
Base-Base interactions energy: -1791.053
where: short stacking energy: -715.435
Base-Backbone interact. energy: 0.731
local terms energy: -693.028564
where:
bonds (distance) C4'-P energy: -117.062
bonds (distance) P-C4' energy: -124.321
flat angles C4'-P-C4' energy: -136.940
flat angles P-C4'-P energy: -99.252
tors. eta vs tors. theta energy: -215.454
Dist. restrs. and SS energy: 15.759 (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: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2410.493712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.493712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.207275 (E_RNA)
where:
Base-Base interactions energy: -1680.644
where: short stacking energy: -707.642
Base-Backbone interact. energy: -1.461
local terms energy: -736.102243
where:
bonds (distance) C4'-P energy: -127.025
bonds (distance) P-C4' energy: -128.331
flat angles C4'-P-C4' energy: -155.187
flat angles P-C4'-P energy: -105.805
tors. eta vs tors. theta energy: -219.755
Dist. restrs. and SS energy: 7.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2297.255415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.255415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.126504 (E_RNA)
where:
Base-Base interactions energy: -1610.252
where: short stacking energy: -652.112
Base-Backbone interact. energy: 2.874
local terms energy: -695.747570
where:
bonds (distance) C4'-P energy: -133.735
bonds (distance) P-C4' energy: -122.923
flat angles C4'-P-C4' energy: -143.798
flat angles P-C4'-P energy: -89.377
tors. eta vs tors. theta energy: -205.915
Dist. restrs. and SS energy: 5.871 (S_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: 221
Temperature: 1.250000
Total energy: -2222.954145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.954145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.751093 (E_RNA)
where:
Base-Base interactions energy: -1603.768
where: short stacking energy: -631.251
Base-Backbone interact. energy: 1.411
local terms energy: -641.394586
where:
bonds (distance) C4'-P energy: -96.722
bonds (distance) P-C4' energy: -125.033
flat angles C4'-P-C4' energy: -141.441
flat angles P-C4'-P energy: -80.121
tors. eta vs tors. theta energy: -198.077
Dist. restrs. and SS energy: 20.797 (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: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -2065.788579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.788579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.048540 (E_RNA)
where:
Base-Base interactions energy: -1466.386
where: short stacking energy: -595.307
Base-Backbone interact. energy: -2.418
local terms energy: -625.244344
where:
bonds (distance) C4'-P energy: -112.555
bonds (distance) P-C4' energy: -108.075
flat angles C4'-P-C4' energy: -124.608
flat angles P-C4'-P energy: -92.930
tors. eta vs tors. theta energy: -187.077
Dist. restrs. and SS energy: 28.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1980.811659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.811659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.559816 (E_RNA)
where:
Base-Base interactions energy: -1384.022
where: short stacking energy: -569.921
Base-Backbone interact. energy: 0.963
local terms energy: -613.501355
where:
bonds (distance) C4'-P energy: -102.374
bonds (distance) P-C4' energy: -122.102
flat angles C4'-P-C4' energy: -132.208
flat angles P-C4'-P energy: -76.651
tors. eta vs tors. theta energy: -180.166
Dist. restrs. and SS energy: 15.748 (S_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: 222
Temperature: 0.900000
Total energy: -2753.281018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.281018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.186173 (E_RNA)
where:
Base-Base interactions energy: -1955.893
where: short stacking energy: -807.007
Base-Backbone interact. energy: -3.768
local terms energy: -805.524788
where:
bonds (distance) C4'-P energy: -140.500
bonds (distance) P-C4' energy: -147.901
flat angles C4'-P-C4' energy: -161.986
flat angles P-C4'-P energy: -121.951
tors. eta vs tors. theta energy: -233.186
Dist. restrs. and SS energy: 11.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2683.146151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.146151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.825181 (E_RNA)
where:
Base-Base interactions energy: -1895.262
where: short stacking energy: -793.432
Base-Backbone interact. energy: -2.315
local terms energy: -797.248094
where:
bonds (distance) C4'-P energy: -116.605
bonds (distance) P-C4' energy: -144.592
flat angles C4'-P-C4' energy: -170.327
flat angles P-C4'-P energy: -116.525
tors. eta vs tors. theta energy: -249.199
Dist. restrs. and SS energy: 11.679 (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: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2618.259767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.259767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.749227 (E_RNA)
where:
Base-Base interactions energy: -1875.930
where: short stacking energy: -743.061
Base-Backbone interact. energy: -1.391
local terms energy: -743.428848
where:
bonds (distance) C4'-P energy: -127.026
bonds (distance) P-C4' energy: -131.061
flat angles C4'-P-C4' energy: -143.572
flat angles P-C4'-P energy: -114.216
tors. eta vs tors. theta energy: -227.554
Dist. restrs. and SS energy: 2.489 (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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2543.109636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.109636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.146606 (E_RNA)
where:
Base-Base interactions energy: -1805.620
where: short stacking energy: -741.767
Base-Backbone interact. energy: 4.843
local terms energy: -745.369920
where:
bonds (distance) C4'-P energy: -135.720
bonds (distance) P-C4' energy: -134.396
flat angles C4'-P-C4' energy: -149.256
flat angles P-C4'-P energy: -104.739
tors. eta vs tors. theta energy: -221.258
Dist. restrs. and SS energy: 3.037 (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: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2476.302411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.302411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.906324 (E_RNA)
where:
Base-Base interactions energy: -1791.296
where: short stacking energy: -730.957
Base-Backbone interact. energy: 0.634
local terms energy: -699.244019
where:
bonds (distance) C4'-P energy: -125.024
bonds (distance) P-C4' energy: -108.187
flat angles C4'-P-C4' energy: -152.168
flat angles P-C4'-P energy: -100.811
tors. eta vs tors. theta energy: -213.054
Dist. restrs. and SS energy: 13.604 (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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2382.497319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.497319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.255834 (E_RNA)
where:
Base-Base interactions energy: -1707.970
where: short stacking energy: -705.369
Base-Backbone interact. energy: -2.652
local terms energy: -681.633753
where:
bonds (distance) C4'-P energy: -104.707
bonds (distance) P-C4' energy: -125.126
flat angles C4'-P-C4' energy: -140.747
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -222.399
Dist. restrs. and SS energy: 9.759 (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: 222
Temperature: 1.200000
Total energy: -2316.892759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.892759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.209759 (E_RNA)
where:
Base-Base interactions energy: -1601.772
where: short stacking energy: -672.197
Base-Backbone interact. energy: -2.416
local terms energy: -718.021649
where:
bonds (distance) C4'-P energy: -104.179
bonds (distance) P-C4' energy: -136.317
flat angles C4'-P-C4' energy: -152.286
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -213.231
Dist. restrs. and SS energy: 5.317 (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: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2181.738654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.738654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.531919 (E_RNA)
where:
Base-Base interactions energy: -1514.845
where: short stacking energy: -623.638
Base-Backbone interact. energy: -2.403
local terms energy: -685.284806
where:
bonds (distance) C4'-P energy: -110.797
bonds (distance) P-C4' energy: -126.501
flat angles C4'-P-C4' energy: -136.346
flat angles P-C4'-P energy: -111.488
tors. eta vs tors. theta energy: -200.153
Dist. restrs. and SS energy: 20.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1992.003618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.003618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.253540 (E_RNA)
where:
Base-Base interactions energy: -1404.463
where: short stacking energy: -572.025
Base-Backbone interact. energy: -2.744
local terms energy: -614.046512
where:
bonds (distance) C4'-P energy: -107.308
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -139.855
flat angles P-C4'-P energy: -81.348
tors. eta vs tors. theta energy: -176.975
Dist. restrs. and SS energy: 29.250 (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: 222
Temperature: 1.350000
Total energy: -1994.061024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.061024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.998902 (E_RNA)
where:
Base-Base interactions energy: -1414.314
where: short stacking energy: -566.306
Base-Backbone interact. energy: -1.264
local terms energy: -612.421192
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -122.849
flat angles C4'-P-C4' energy: -138.450
flat angles P-C4'-P energy: -68.690
tors. eta vs tors. theta energy: -171.498
Dist. restrs. and SS energy: 33.938 (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: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2794.619894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.619894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.255026 (E_RNA)
where:
Base-Base interactions energy: -1986.257
where: short stacking energy: -801.235
Base-Backbone interact. energy: -1.982
local terms energy: -814.016346
where:
bonds (distance) C4'-P energy: -140.673
bonds (distance) P-C4' energy: -143.109
flat angles C4'-P-C4' energy: -170.740
flat angles P-C4'-P energy: -115.135
tors. eta vs tors. theta energy: -244.360
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: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2691.023743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.023743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.038055 (E_RNA)
where:
Base-Base interactions energy: -1908.706
where: short stacking energy: -803.323
Base-Backbone interact. energy: -2.078
local terms energy: -790.254140
where:
bonds (distance) C4'-P energy: -135.590
bonds (distance) P-C4' energy: -133.174
flat angles C4'-P-C4' energy: -163.905
flat angles P-C4'-P energy: -105.316
tors. eta vs tors. theta energy: -252.270
Dist. restrs. and SS energy: 10.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2605.405434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.405434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.167583 (E_RNA)
where:
Base-Base interactions energy: -1840.729
where: short stacking energy: -755.577
Base-Backbone interact. energy: -0.577
local terms energy: -767.861290
where:
bonds (distance) C4'-P energy: -126.709
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -172.974
flat angles P-C4'-P energy: -102.508
tors. eta vs tors. theta energy: -247.504
Dist. restrs. and SS energy: 3.762 (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: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2547.078551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.078551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.197750 (E_RNA)
where:
Base-Base interactions energy: -1812.452
where: short stacking energy: -727.242
Base-Backbone interact. energy: -2.565
local terms energy: -736.181146
where:
bonds (distance) C4'-P energy: -106.603
bonds (distance) P-C4' energy: -137.958
flat angles C4'-P-C4' energy: -155.265
flat angles P-C4'-P energy: -107.536
tors. eta vs tors. theta energy: -228.819
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: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2485.582724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.582724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.214615 (E_RNA)
where:
Base-Base interactions energy: -1769.121
where: short stacking energy: -732.762
Base-Backbone interact. energy: -4.122
local terms energy: -725.971567
where:
bonds (distance) C4'-P energy: -124.305
bonds (distance) P-C4' energy: -128.232
flat angles C4'-P-C4' energy: -156.277
flat angles P-C4'-P energy: -92.804
tors. eta vs tors. theta energy: -224.354
Dist. restrs. and SS energy: 13.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2355.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.629373 (E_RNA)
where:
Base-Base interactions energy: -1650.750
where: short stacking energy: -655.330
Base-Backbone interact. energy: 0.021
local terms energy: -712.900695
where:
bonds (distance) C4'-P energy: -125.542
bonds (distance) P-C4' energy: -128.644
flat angles C4'-P-C4' energy: -146.015
flat angles P-C4'-P energy: -100.838
tors. eta vs tors. theta energy: -211.861
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2354.674045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.674045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.191256 (E_RNA)
where:
Base-Base interactions energy: -1698.238
where: short stacking energy: -709.396
Base-Backbone interact. energy: -3.699
local terms energy: -663.254322
where:
bonds (distance) C4'-P energy: -108.784
bonds (distance) P-C4' energy: -120.514
flat angles C4'-P-C4' energy: -151.811
flat angles P-C4'-P energy: -79.538
tors. eta vs tors. theta energy: -202.607
Dist. restrs. and SS energy: 10.517 (S_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: 223
Temperature: 1.250000
Total energy: -2164.918580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.918580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.665441 (E_RNA)
where:
Base-Base interactions energy: -1529.277
where: short stacking energy: -621.639
Base-Backbone interact. energy: -3.896
local terms energy: -649.492005
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -124.544
flat angles C4'-P-C4' energy: -136.634
flat angles P-C4'-P energy: -95.592
tors. eta vs tors. theta energy: -198.848
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: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -2025.829344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.829344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.976554 (E_RNA)
where:
Base-Base interactions energy: -1407.529
where: short stacking energy: -567.302
Base-Backbone interact. energy: -0.093
local terms energy: -636.354392
where:
bonds (distance) C4'-P energy: -103.848
bonds (distance) P-C4' energy: -126.125
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -102.465
tors. eta vs tors. theta energy: -179.215
Dist. restrs. and SS energy: 18.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1979.238697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.238697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.670724 (E_RNA)
where:
Base-Base interactions energy: -1426.725
where: short stacking energy: -532.693
Base-Backbone interact. energy: 5.179
local terms energy: -578.125482
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -129.911
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -176.661
Dist. restrs. and SS energy: 20.432 (S_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: 224
Temperature: 0.900000
Total energy: -2763.781764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.781764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.476089 (E_RNA)
where:
Base-Base interactions energy: -1971.944
where: short stacking energy: -804.087
Base-Backbone interact. energy: -0.254
local terms energy: -800.278397
where:
bonds (distance) C4'-P energy: -138.021
bonds (distance) P-C4' energy: -133.943
flat angles C4'-P-C4' energy: -167.211
flat angles P-C4'-P energy: -117.932
tors. eta vs tors. theta energy: -243.171
Dist. restrs. and SS energy: 8.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2686.485866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.485866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.746592 (E_RNA)
where:
Base-Base interactions energy: -1884.344
where: short stacking energy: -769.342
Base-Backbone interact. energy: -1.951
local terms energy: -809.451710
where:
bonds (distance) C4'-P energy: -148.161
bonds (distance) P-C4' energy: -139.482
flat angles C4'-P-C4' energy: -154.137
flat angles P-C4'-P energy: -119.265
tors. eta vs tors. theta energy: -248.407
Dist. restrs. and SS energy: 9.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2637.702094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.702094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.374523 (E_RNA)
where:
Base-Base interactions energy: -1841.770
where: short stacking energy: -748.964
Base-Backbone interact. energy: -3.053
local terms energy: -797.551713
where:
bonds (distance) C4'-P energy: -125.221
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -170.760
flat angles P-C4'-P energy: -118.563
tors. eta vs tors. theta energy: -238.848
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: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2556.031434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.031434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.179015 (E_RNA)
where:
Base-Base interactions energy: -1820.386
where: short stacking energy: -746.744
Base-Backbone interact. energy: -1.980
local terms energy: -735.812885
where:
bonds (distance) C4'-P energy: -106.606
bonds (distance) P-C4' energy: -129.975
flat angles C4'-P-C4' energy: -161.098
flat angles P-C4'-P energy: -106.104
tors. eta vs tors. theta energy: -232.030
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2486.330034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.330034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.760848 (E_RNA)
where:
Base-Base interactions energy: -1791.545
where: short stacking energy: -726.916
Base-Backbone interact. energy: -0.885
local terms energy: -709.330958
where:
bonds (distance) C4'-P energy: -109.144
bonds (distance) P-C4' energy: -128.094
flat angles C4'-P-C4' energy: -155.230
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -221.724
Dist. restrs. and SS energy: 15.431 (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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2391.367103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.367103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.328293 (E_RNA)
where:
Base-Base interactions energy: -1685.636
where: short stacking energy: -697.627
Base-Backbone interact. energy: -1.963
local terms energy: -711.729187
where:
bonds (distance) C4'-P energy: -98.057
bonds (distance) P-C4' energy: -126.005
flat angles C4'-P-C4' energy: -154.752
flat angles P-C4'-P energy: -107.247
tors. eta vs tors. theta energy: -225.668
Dist. restrs. and SS energy: 7.961 (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: 224
Temperature: 1.200000
Total energy: -2381.344124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.344124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.362861 (E_RNA)
where:
Base-Base interactions energy: -1723.516
where: short stacking energy: -702.252
Base-Backbone interact. energy: -1.090
local terms energy: -665.756993
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -107.976
flat angles C4'-P-C4' energy: -141.008
flat angles P-C4'-P energy: -103.313
tors. eta vs tors. theta energy: -205.715
Dist. restrs. and SS energy: 9.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2181.817320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.817320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.239872 (E_RNA)
where:
Base-Base interactions energy: -1540.327
where: short stacking energy: -588.663
Base-Backbone interact. energy: -1.485
local terms energy: -654.427992
where:
bonds (distance) C4'-P energy: -111.830
bonds (distance) P-C4' energy: -120.650
flat angles C4'-P-C4' energy: -139.062
flat angles P-C4'-P energy: -73.775
tors. eta vs tors. theta energy: -209.111
Dist. restrs. and SS energy: 14.423 (S_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: -2077.366155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.366155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.869570 (E_RNA)
where:
Base-Base interactions energy: -1482.735
where: short stacking energy: -598.948
Base-Backbone interact. energy: -1.723
local terms energy: -613.411618
where:
bonds (distance) C4'-P energy: -101.518
bonds (distance) P-C4' energy: -104.835
flat angles C4'-P-C4' energy: -141.204
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -180.338
Dist. restrs. and SS energy: 20.503 (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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -2012.179350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.179350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.417105 (E_RNA)
where:
Base-Base interactions energy: -1423.891
where: short stacking energy: -565.011
Base-Backbone interact. energy: -3.574
local terms energy: -601.952087
where:
bonds (distance) C4'-P energy: -111.831
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -137.099
flat angles P-C4'-P energy: -70.277
tors. eta vs tors. theta energy: -170.136
Dist. restrs. and SS energy: 17.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2768.849011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.849011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.182439 (E_RNA)
where:
Base-Base interactions energy: -1977.096
where: short stacking energy: -825.464
Base-Backbone interact. energy: -3.195
local terms energy: -796.891762
where:
bonds (distance) C4'-P energy: -144.265
bonds (distance) P-C4' energy: -123.874
flat angles C4'-P-C4' energy: -155.930
flat angles P-C4'-P energy: -124.861
tors. eta vs tors. theta energy: -247.962
Dist. restrs. and SS energy: 8.333 (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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2671.080361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.080361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.770732 (E_RNA)
where:
Base-Base interactions energy: -1883.203
where: short stacking energy: -791.532
Base-Backbone interact. energy: -1.439
local terms energy: -795.128349
where:
bonds (distance) C4'-P energy: -137.377
bonds (distance) P-C4' energy: -142.800
flat angles C4'-P-C4' energy: -162.169
flat angles P-C4'-P energy: -105.130
tors. eta vs tors. theta energy: -247.652
Dist. restrs. and SS energy: 8.690 (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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2629.750681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.750681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.810234 (E_RNA)
where:
Base-Base interactions energy: -1859.040
where: short stacking energy: -749.945
Base-Backbone interact. energy: -2.169
local terms energy: -771.601679
where:
bonds (distance) C4'-P energy: -123.924
bonds (distance) P-C4' energy: -146.375
flat angles C4'-P-C4' energy: -158.196
flat angles P-C4'-P energy: -101.721
tors. eta vs tors. theta energy: -241.385
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2574.481382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.481382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.625841 (E_RNA)
where:
Base-Base interactions energy: -1827.549
where: short stacking energy: -729.172
Base-Backbone interact. energy: -3.892
local terms energy: -747.184938
where:
bonds (distance) C4'-P energy: -125.656
bonds (distance) P-C4' energy: -127.795
flat angles C4'-P-C4' energy: -165.215
flat angles P-C4'-P energy: -108.495
tors. eta vs tors. theta energy: -220.024
Dist. restrs. and SS energy: 4.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2502.378856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.378856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.091395 (E_RNA)
where:
Base-Base interactions energy: -1777.757
where: short stacking energy: -714.138
Base-Backbone interact. energy: -7.140
local terms energy: -728.194627
where:
bonds (distance) C4'-P energy: -122.517
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -153.552
flat angles P-C4'-P energy: -104.387
tors. eta vs tors. theta energy: -233.588
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: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2383.345191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.345191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.469761 (E_RNA)
where:
Base-Base interactions energy: -1695.840
where: short stacking energy: -665.983
Base-Backbone interact. energy: -4.031
local terms energy: -687.598803
where:
bonds (distance) C4'-P energy: -108.002
bonds (distance) P-C4' energy: -125.520
flat angles C4'-P-C4' energy: -153.796
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -208.108
Dist. restrs. and SS energy: 4.125 (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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2316.930240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.930240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.589154 (E_RNA)
where:
Base-Base interactions energy: -1628.003
where: short stacking energy: -663.012
Base-Backbone interact. energy: -0.076
local terms energy: -698.509544
where:
bonds (distance) C4'-P energy: -117.198
bonds (distance) P-C4' energy: -124.537
flat angles C4'-P-C4' energy: -137.869
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -219.514
Dist. restrs. and SS energy: 9.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2109.530835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.530835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.258040 (E_RNA)
where:
Base-Base interactions energy: -1513.729
where: short stacking energy: -605.458
Base-Backbone interact. energy: 0.236
local terms energy: -614.764578
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -114.632
flat angles C4'-P-C4' energy: -138.025
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: -179.991
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1998.354698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.354698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.902906 (E_RNA)
where:
Base-Base interactions energy: -1426.908
where: short stacking energy: -574.387
Base-Backbone interact. energy: 0.046
local terms energy: -595.041247
where:
bonds (distance) C4'-P energy: -109.287
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -136.339
flat angles P-C4'-P energy: -75.238
tors. eta vs tors. theta energy: -174.550
Dist. restrs. and SS energy: 23.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1987.138948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.138948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.370269 (E_RNA)
where:
Base-Base interactions energy: -1432.990
where: short stacking energy: -576.099
Base-Backbone interact. energy: 5.402
local terms energy: -576.781961
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -86.765
flat angles C4'-P-C4' energy: -134.624
flat angles P-C4'-P energy: -73.679
tors. eta vs tors. theta energy: -174.744
Dist. restrs. and SS energy: 17.231 (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: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2758.679686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.679686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.411358 (E_RNA)
where:
Base-Base interactions energy: -1949.431
where: short stacking energy: -800.747
Base-Backbone interact. energy: 1.142
local terms energy: -819.123106
where:
bonds (distance) C4'-P energy: -127.593
bonds (distance) P-C4' energy: -147.334
flat angles C4'-P-C4' energy: -163.894
flat angles P-C4'-P energy: -121.020
tors. eta vs tors. theta energy: -259.283
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2666.957139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.957139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.198721 (E_RNA)
where:
Base-Base interactions energy: -1893.129
where: short stacking energy: -786.797
Base-Backbone interact. energy: 0.958
local terms energy: -784.027614
where:
bonds (distance) C4'-P energy: -134.059
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -156.700
flat angles P-C4'-P energy: -112.515
tors. eta vs tors. theta energy: -245.250
Dist. restrs. and SS energy: 9.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2634.180770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.482319 (E_RNA)
where:
Base-Base interactions energy: -1868.250
where: short stacking energy: -785.953
Base-Backbone interact. energy: -4.865
local terms energy: -763.367450
where:
bonds (distance) C4'-P energy: -122.076
bonds (distance) P-C4' energy: -137.392
flat angles C4'-P-C4' energy: -151.243
flat angles P-C4'-P energy: -107.261
tors. eta vs tors. theta energy: -245.396
Dist. restrs. and SS energy: 2.302 (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: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2560.270931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.270931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.399941 (E_RNA)
where:
Base-Base interactions energy: -1805.556
where: short stacking energy: -730.988
Base-Backbone interact. energy: 1.379
local terms energy: -761.222449
where:
bonds (distance) C4'-P energy: -143.371
bonds (distance) P-C4' energy: -134.641
flat angles C4'-P-C4' energy: -155.130
flat angles P-C4'-P energy: -103.462
tors. eta vs tors. theta energy: -224.618
Dist. restrs. and SS energy: 5.129 (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: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2524.883014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.883014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.559278 (E_RNA)
where:
Base-Base interactions energy: -1794.730
where: short stacking energy: -745.614
Base-Backbone interact. energy: -2.203
local terms energy: -738.625980
where:
bonds (distance) C4'-P energy: -112.888
bonds (distance) P-C4' energy: -122.721
flat angles C4'-P-C4' energy: -160.274
flat angles P-C4'-P energy: -106.150
tors. eta vs tors. theta energy: -236.593
Dist. restrs. and SS energy: 10.676 (S_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: 226
Temperature: 1.150000
Total energy: -2435.643466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.643466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.306649 (E_RNA)
where:
Base-Base interactions energy: -1733.750
where: short stacking energy: -684.787
Base-Backbone interact. energy: 0.101
local terms energy: -708.658279
where:
bonds (distance) C4'-P energy: -123.681
bonds (distance) P-C4' energy: -125.841
flat angles C4'-P-C4' energy: -153.840
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -208.898
Dist. restrs. and SS energy: 6.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2311.202989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.202989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.447580 (E_RNA)
where:
Base-Base interactions energy: -1646.899
where: short stacking energy: -662.455
Base-Backbone interact. energy: 0.711
local terms energy: -676.259125
where:
bonds (distance) C4'-P energy: -122.106
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -143.193
flat angles P-C4'-P energy: -109.993
tors. eta vs tors. theta energy: -211.481
Dist. restrs. and SS energy: 11.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2119.234380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.234380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.467799 (E_RNA)
where:
Base-Base interactions energy: -1542.228
where: short stacking energy: -627.805
Base-Backbone interact. energy: -3.532
local terms energy: -593.707476
where:
bonds (distance) C4'-P energy: -108.516
bonds (distance) P-C4' energy: -109.952
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -182.750
Dist. restrs. and SS energy: 20.233 (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: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1992.690676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.690676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.130257 (E_RNA)
where:
Base-Base interactions energy: -1426.776
where: short stacking energy: -567.524
Base-Backbone interact. energy: -2.315
local terms energy: -586.038886
where:
bonds (distance) C4'-P energy: -80.501
bonds (distance) P-C4' energy: -114.437
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -70.937
tors. eta vs tors. theta energy: -170.296
Dist. restrs. and SS energy: 22.440 (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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1949.168353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.168353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.275066 (E_RNA)
where:
Base-Base interactions energy: -1383.773
where: short stacking energy: -546.840
Base-Backbone interact. energy: -1.169
local terms energy: -588.332200
where:
bonds (distance) C4'-P energy: -110.662
bonds (distance) P-C4' energy: -126.476
flat angles C4'-P-C4' energy: -129.142
flat angles P-C4'-P energy: -76.046
tors. eta vs tors. theta energy: -146.007
Dist. restrs. and SS energy: 24.107 (S_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: 227
Temperature: 0.900000
Total energy: -2729.456249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.456249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.607293 (E_RNA)
where:
Base-Base interactions energy: -1930.256
where: short stacking energy: -806.420
Base-Backbone interact. energy: -2.249
local terms energy: -807.102553
where:
bonds (distance) C4'-P energy: -136.467
bonds (distance) P-C4' energy: -137.675
flat angles C4'-P-C4' energy: -166.609
flat angles P-C4'-P energy: -113.668
tors. eta vs tors. theta energy: -252.684
Dist. restrs. and SS energy: 10.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2653.055179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.055179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.586989 (E_RNA)
where:
Base-Base interactions energy: -1861.610
where: short stacking energy: -747.167
Base-Backbone interact. energy: -3.029
local terms energy: -795.947790
where:
bonds (distance) C4'-P energy: -128.061
bonds (distance) P-C4' energy: -144.579
flat angles C4'-P-C4' energy: -172.503
flat angles P-C4'-P energy: -111.336
tors. eta vs tors. theta energy: -239.469
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2628.567819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.567819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.479689 (E_RNA)
where:
Base-Base interactions energy: -1850.726
where: short stacking energy: -763.995
Base-Backbone interact. energy: -4.403
local terms energy: -776.350822
where:
bonds (distance) C4'-P energy: -130.591
bonds (distance) P-C4' energy: -122.525
flat angles C4'-P-C4' energy: -157.517
flat angles P-C4'-P energy: -114.287
tors. eta vs tors. theta energy: -251.432
Dist. restrs. and SS energy: 2.912 (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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2572.196041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.196041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.352320 (E_RNA)
where:
Base-Base interactions energy: -1823.365
where: short stacking energy: -725.927
Base-Backbone interact. energy: -1.135
local terms energy: -750.852026
where:
bonds (distance) C4'-P energy: -130.876
bonds (distance) P-C4' energy: -127.829
flat angles C4'-P-C4' energy: -161.381
flat angles P-C4'-P energy: -111.282
tors. eta vs tors. theta energy: -219.483
Dist. restrs. and SS energy: 3.156 (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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2516.782323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.782323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.869528 (E_RNA)
where:
Base-Base interactions energy: -1788.865
where: short stacking energy: -722.839
Base-Backbone interact. energy: -2.517
local terms energy: -734.487429
where:
bonds (distance) C4'-P energy: -124.566
bonds (distance) P-C4' energy: -122.311
flat angles C4'-P-C4' energy: -148.968
flat angles P-C4'-P energy: -109.433
tors. eta vs tors. theta energy: -229.209
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: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2401.333973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.687180 (E_RNA)
where:
Base-Base interactions energy: -1731.852
where: short stacking energy: -700.186
Base-Backbone interact. energy: -1.162
local terms energy: -675.672781
where:
bonds (distance) C4'-P energy: -115.511
bonds (distance) P-C4' energy: -122.242
flat angles C4'-P-C4' energy: -136.443
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -212.253
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: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2332.065628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.065628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.698978 (E_RNA)
where:
Base-Base interactions energy: -1674.566
where: short stacking energy: -679.547
Base-Backbone interact. energy: -0.472
local terms energy: -665.661619
where:
bonds (distance) C4'-P energy: -109.247
bonds (distance) P-C4' energy: -111.729
flat angles C4'-P-C4' energy: -145.265
flat angles P-C4'-P energy: -94.339
tors. eta vs tors. theta energy: -205.081
Dist. restrs. and SS energy: 8.633 (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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2183.094458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.094458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.439618 (E_RNA)
where:
Base-Base interactions energy: -1589.094
where: short stacking energy: -649.466
Base-Backbone interact. energy: -1.017
local terms energy: -614.328682
where:
bonds (distance) C4'-P energy: -85.788
bonds (distance) P-C4' energy: -116.854
flat angles C4'-P-C4' energy: -127.300
flat angles P-C4'-P energy: -83.966
tors. eta vs tors. theta energy: -200.421
Dist. restrs. and SS energy: 21.345 (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: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -2033.431339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.431339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.518844 (E_RNA)
where:
Base-Base interactions energy: -1438.849
where: short stacking energy: -587.016
Base-Backbone interact. energy: 4.639
local terms energy: -628.308730
where:
bonds (distance) C4'-P energy: -104.326
bonds (distance) P-C4' energy: -119.309
flat angles C4'-P-C4' energy: -146.034
flat angles P-C4'-P energy: -88.239
tors. eta vs tors. theta energy: -170.401
Dist. restrs. and SS energy: 29.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1970.749306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.749306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.664388 (E_RNA)
where:
Base-Base interactions energy: -1418.768
where: short stacking energy: -557.479
Base-Backbone interact. energy: -3.017
local terms energy: -568.879220
where:
bonds (distance) C4'-P energy: -113.243
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -110.551
flat angles P-C4'-P energy: -83.411
tors. eta vs tors. theta energy: -177.438
Dist. restrs. and SS energy: 19.915 (S_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: 228
Temperature: 0.900000
Total energy: -2759.628044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.628044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.708012 (E_RNA)
where:
Base-Base interactions energy: -1940.698
where: short stacking energy: -806.962
Base-Backbone interact. energy: -1.234
local terms energy: -827.776611
where:
bonds (distance) C4'-P energy: -146.902
bonds (distance) P-C4' energy: -133.480
flat angles C4'-P-C4' energy: -166.618
flat angles P-C4'-P energy: -122.543
tors. eta vs tors. theta energy: -258.233
Dist. restrs. and SS energy: 10.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2676.277304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.277304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.633504 (E_RNA)
where:
Base-Base interactions energy: -1916.532
where: short stacking energy: -785.949
Base-Backbone interact. energy: 0.240
local terms energy: -767.341817
where:
bonds (distance) C4'-P energy: -135.650
bonds (distance) P-C4' energy: -122.858
flat angles C4'-P-C4' energy: -161.701
flat angles P-C4'-P energy: -106.413
tors. eta vs tors. theta energy: -240.719
Dist. restrs. and SS energy: 7.356 (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: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2633.769367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.769367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.427451 (E_RNA)
where:
Base-Base interactions energy: -1885.087
where: short stacking energy: -789.796
Base-Backbone interact. energy: 2.653
local terms energy: -755.993694
where:
bonds (distance) C4'-P energy: -126.308
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -167.088
flat angles P-C4'-P energy: -103.795
tors. eta vs tors. theta energy: -244.322
Dist. restrs. and SS energy: 4.658 (S_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: 228
Temperature: 1.050000
Total energy: -2567.150647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.150647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.693476 (E_RNA)
where:
Base-Base interactions energy: -1834.489
where: short stacking energy: -742.236
Base-Backbone interact. energy: -2.464
local terms energy: -733.740384
where:
bonds (distance) C4'-P energy: -116.170
bonds (distance) P-C4' energy: -132.254
flat angles C4'-P-C4' energy: -155.369
flat angles P-C4'-P energy: -102.791
tors. eta vs tors. theta energy: -227.156
Dist. restrs. and SS energy: 3.543 (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: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2459.535285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.535285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.604423 (E_RNA)
where:
Base-Base interactions energy: -1766.435
where: short stacking energy: -710.095
Base-Backbone interact. energy: -1.972
local terms energy: -697.197540
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -109.437
flat angles C4'-P-C4' energy: -145.176
flat angles P-C4'-P energy: -99.231
tors. eta vs tors. theta energy: -223.182
Dist. restrs. and SS energy: 6.069 (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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2390.028783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.028783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.149477 (E_RNA)
where:
Base-Base interactions energy: -1678.823
where: short stacking energy: -693.403
Base-Backbone interact. energy: 2.229
local terms energy: -718.555234
where:
bonds (distance) C4'-P energy: -122.969
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -157.875
flat angles P-C4'-P energy: -91.681
tors. eta vs tors. theta energy: -218.788
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: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2342.620324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.620324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.710730 (E_RNA)
where:
Base-Base interactions energy: -1661.813
where: short stacking energy: -677.573
Base-Backbone interact. energy: 2.236
local terms energy: -689.133043
where:
bonds (distance) C4'-P energy: -114.783
bonds (distance) P-C4' energy: -124.761
flat angles C4'-P-C4' energy: -141.314
flat angles P-C4'-P energy: -98.263
tors. eta vs tors. theta energy: -210.012
Dist. restrs. and SS energy: 6.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2130.684915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.684915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.938571 (E_RNA)
where:
Base-Base interactions energy: -1486.118
where: short stacking energy: -615.313
Base-Backbone interact. energy: 5.005
local terms energy: -664.825884
where:
bonds (distance) C4'-P energy: -113.285
bonds (distance) P-C4' energy: -130.368
flat angles C4'-P-C4' energy: -141.790
flat angles P-C4'-P energy: -99.796
tors. eta vs tors. theta energy: -179.586
Dist. restrs. and SS energy: 15.254 (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: 228
Temperature: 1.300000
Total energy: -2034.393306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.393306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.403585 (E_RNA)
where:
Base-Base interactions energy: -1463.875
where: short stacking energy: -591.473
Base-Backbone interact. energy: -3.423
local terms energy: -600.106282
where:
bonds (distance) C4'-P energy: -124.747
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -121.688
flat angles P-C4'-P energy: -86.937
tors. eta vs tors. theta energy: -165.929
Dist. restrs. and SS energy: 33.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1955.816337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.816337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.002829 (E_RNA)
where:
Base-Base interactions energy: -1379.078
where: short stacking energy: -542.271
Base-Backbone interact. energy: -2.361
local terms energy: -594.563826
where:
bonds (distance) C4'-P energy: -114.992
bonds (distance) P-C4' energy: -118.435
flat angles C4'-P-C4' energy: -116.426
flat angles P-C4'-P energy: -74.174
tors. eta vs tors. theta energy: -170.536
Dist. restrs. and SS energy: 20.186 (S_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: 229
Temperature: 0.900000
Total energy: -2754.209606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.209606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.443314 (E_RNA)
where:
Base-Base interactions energy: -1945.357
where: short stacking energy: -784.497
Base-Backbone interact. energy: -1.912
local terms energy: -818.174074
where:
bonds (distance) C4'-P energy: -132.985
bonds (distance) P-C4' energy: -148.336
flat angles C4'-P-C4' energy: -167.480
flat angles P-C4'-P energy: -126.313
tors. eta vs tors. theta energy: -243.059
Dist. restrs. and SS energy: 11.234 (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: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2691.242114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.242114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.599820 (E_RNA)
where:
Base-Base interactions energy: -1890.383
where: short stacking energy: -778.804
Base-Backbone interact. energy: -2.091
local terms energy: -806.125445
where:
bonds (distance) C4'-P energy: -138.064
bonds (distance) P-C4' energy: -132.372
flat angles C4'-P-C4' energy: -171.274
flat angles P-C4'-P energy: -120.190
tors. eta vs tors. theta energy: -244.227
Dist. restrs. and SS energy: 7.358 (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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2606.946019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.946019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.586818 (E_RNA)
where:
Base-Base interactions energy: -1837.289
where: short stacking energy: -741.525
Base-Backbone interact. energy: -1.058
local terms energy: -778.240079
where:
bonds (distance) C4'-P energy: -143.343
bonds (distance) P-C4' energy: -134.689
flat angles C4'-P-C4' energy: -154.876
flat angles P-C4'-P energy: -112.058
tors. eta vs tors. theta energy: -233.274
Dist. restrs. and SS energy: 9.641 (S_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: 229
Temperature: 1.050000
Total energy: -2549.777548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.777548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.018161 (E_RNA)
where:
Base-Base interactions energy: -1839.457
where: short stacking energy: -737.002
Base-Backbone interact. energy: 1.838
local terms energy: -715.399663
where:
bonds (distance) C4'-P energy: -123.648
bonds (distance) P-C4' energy: -106.966
flat angles C4'-P-C4' energy: -154.168
flat angles P-C4'-P energy: -105.236
tors. eta vs tors. theta energy: -225.381
Dist. restrs. and SS energy: 3.241 (S_DIST_RNA)
chem. 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: -2485.735797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.735797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.129749 (E_RNA)
where:
Base-Base interactions energy: -1752.144
where: short stacking energy: -717.111
Base-Backbone interact. energy: -3.460
local terms energy: -740.525952
where:
bonds (distance) C4'-P energy: -134.068
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -162.857
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -219.127
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: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2393.469704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.469704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.418875 (E_RNA)
where:
Base-Base interactions energy: -1695.397
where: short stacking energy: -692.631
Base-Backbone interact. energy: -2.690
local terms energy: -702.332010
where:
bonds (distance) C4'-P energy: -114.980
bonds (distance) P-C4' energy: -124.803
flat angles C4'-P-C4' energy: -159.387
flat angles P-C4'-P energy: -94.050
tors. eta vs tors. theta energy: -209.112
Dist. restrs. and SS energy: 6.949 (S_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: 229
Temperature: 1.200000
Total energy: -2346.554376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.554376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.833432 (E_RNA)
where:
Base-Base interactions energy: -1673.188
where: short stacking energy: -699.734
Base-Backbone interact. energy: -5.410
local terms energy: -677.235939
where:
bonds (distance) C4'-P energy: -112.921
bonds (distance) P-C4' energy: -111.227
flat angles C4'-P-C4' energy: -153.156
flat angles P-C4'-P energy: -80.124
tors. eta vs tors. theta energy: -219.810
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: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2135.751075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.182300 (E_RNA)
where:
Base-Base interactions energy: -1525.065
where: short stacking energy: -612.791
Base-Backbone interact. energy: -1.675
local terms energy: -626.442083
where:
bonds (distance) C4'-P energy: -94.973
bonds (distance) P-C4' energy: -119.399
flat angles C4'-P-C4' energy: -140.062
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -192.839
Dist. restrs. and SS energy: 17.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1999.470838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.470838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.290569 (E_RNA)
where:
Base-Base interactions energy: -1420.525
where: short stacking energy: -569.652
Base-Backbone interact. energy: 0.409
local terms energy: -611.174943
where:
bonds (distance) C4'-P energy: -109.832
bonds (distance) P-C4' energy: -111.667
flat angles C4'-P-C4' energy: -142.349
flat angles P-C4'-P energy: -71.410
tors. eta vs tors. theta energy: -175.916
Dist. restrs. and SS energy: 31.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1955.210232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.210232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.754794 (E_RNA)
where:
Base-Base interactions energy: -1403.458
where: short stacking energy: -557.178
Base-Backbone interact. energy: -1.980
local terms energy: -563.316374
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -81.438
flat angles C4'-P-C4' energy: -123.488
flat angles P-C4'-P energy: -75.984
tors. eta vs tors. theta energy: -171.803
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: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2735.186801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.186801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.143857 (E_RNA)
where:
Base-Base interactions energy: -1966.393
where: short stacking energy: -811.305
Base-Backbone interact. energy: -2.717
local terms energy: -775.034186
where:
bonds (distance) C4'-P energy: -125.698
bonds (distance) P-C4' energy: -118.453
flat angles C4'-P-C4' energy: -165.541
flat angles P-C4'-P energy: -121.377
tors. eta vs tors. theta energy: -243.965
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2685.253651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.253651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.383773 (E_RNA)
where:
Base-Base interactions energy: -1881.994
where: short stacking energy: -774.792
Base-Backbone interact. energy: -0.095
local terms energy: -808.294577
where:
bonds (distance) C4'-P energy: -139.965
bonds (distance) P-C4' energy: -143.347
flat angles C4'-P-C4' energy: -171.453
flat angles P-C4'-P energy: -114.230
tors. eta vs tors. theta energy: -239.300
Dist. restrs. and SS energy: 5.130 (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: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2640.211208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.211208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.790352 (E_RNA)
where:
Base-Base interactions energy: -1871.185
where: short stacking energy: -775.038
Base-Backbone interact. energy: -1.456
local terms energy: -777.149163
where:
bonds (distance) C4'-P energy: -127.404
bonds (distance) P-C4' energy: -143.451
flat angles C4'-P-C4' energy: -164.330
flat angles P-C4'-P energy: -101.150
tors. eta vs tors. theta energy: -240.814
Dist. restrs. and SS energy: 9.579 (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: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2553.494166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.494166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.187199 (E_RNA)
where:
Base-Base interactions energy: -1830.074
where: short stacking energy: -745.611
Base-Backbone interact. energy: -3.051
local terms energy: -723.062294
where:
bonds (distance) C4'-P energy: -118.022
bonds (distance) P-C4' energy: -129.925
flat angles C4'-P-C4' energy: -157.039
flat angles P-C4'-P energy: -94.962
tors. eta vs tors. theta energy: -223.114
Dist. restrs. and SS energy: 2.693 (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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2497.860413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.860413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.263234 (E_RNA)
where:
Base-Base interactions energy: -1779.710
where: short stacking energy: -714.830
Base-Backbone interact. energy: -1.795
local terms energy: -725.758756
where:
bonds (distance) C4'-P energy: -135.249
bonds (distance) P-C4' energy: -114.479
flat angles C4'-P-C4' energy: -161.824
flat angles P-C4'-P energy: -87.407
tors. eta vs tors. theta energy: -226.800
Dist. restrs. and SS energy: 9.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2425.203395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.203395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.598572 (E_RNA)
where:
Base-Base interactions energy: -1739.459
where: short stacking energy: -711.351
Base-Backbone interact. energy: 1.790
local terms energy: -695.929753
where:
bonds (distance) C4'-P energy: -122.368
bonds (distance) P-C4' energy: -130.119
flat angles C4'-P-C4' energy: -138.894
flat angles P-C4'-P energy: -96.460
tors. eta vs tors. theta energy: -208.088
Dist. restrs. and SS energy: 8.395 (S_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: 230
Temperature: 1.200000
Total energy: -2337.943704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.943704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.008537 (E_RNA)
where:
Base-Base interactions energy: -1675.137
where: short stacking energy: -685.241
Base-Backbone interact. energy: -4.602
local terms energy: -670.270133
where:
bonds (distance) C4'-P energy: -116.880
bonds (distance) P-C4' energy: -119.712
flat angles C4'-P-C4' energy: -133.454
flat angles P-C4'-P energy: -102.493
tors. eta vs tors. theta energy: -197.731
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: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2149.928166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.928166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.283572 (E_RNA)
where:
Base-Base interactions energy: -1511.388
where: short stacking energy: -595.666
Base-Backbone interact. energy: 0.307
local terms energy: -650.201927
where:
bonds (distance) C4'-P energy: -112.604
bonds (distance) P-C4' energy: -142.210
flat angles C4'-P-C4' energy: -130.090
flat angles P-C4'-P energy: -77.810
tors. eta vs tors. theta energy: -187.487
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: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -2045.787925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.787925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.369148 (E_RNA)
where:
Base-Base interactions energy: -1479.270
where: short stacking energy: -598.141
Base-Backbone interact. energy: -3.444
local terms energy: -584.654778
where:
bonds (distance) C4'-P energy: -112.354
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -128.874
flat angles P-C4'-P energy: -81.388
tors. eta vs tors. theta energy: -177.944
Dist. restrs. and SS energy: 21.581 (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: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1957.320495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.320495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.644149 (E_RNA)
where:
Base-Base interactions energy: -1386.356
where: short stacking energy: -553.159
Base-Backbone interact. energy: -3.613
local terms energy: -601.675572
where:
bonds (distance) C4'-P energy: -103.326
bonds (distance) P-C4' energy: -113.462
flat angles C4'-P-C4' energy: -131.083
flat angles P-C4'-P energy: -84.204
tors. eta vs tors. theta energy: -169.601
Dist. restrs. and SS energy: 34.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2783.116534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.116534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.819217 (E_RNA)
where:
Base-Base interactions energy: -1966.508
where: short stacking energy: -807.577
Base-Backbone interact. energy: 2.547
local terms energy: -828.858065
where:
bonds (distance) C4'-P energy: -140.909
bonds (distance) P-C4' energy: -141.006
flat angles C4'-P-C4' energy: -171.824
flat angles P-C4'-P energy: -126.772
tors. eta vs tors. theta energy: -248.346
Dist. restrs. and SS energy: 9.703 (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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2668.953372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.953372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.377133 (E_RNA)
where:
Base-Base interactions energy: -1862.041
where: short stacking energy: -757.179
Base-Backbone interact. energy: -2.189
local terms energy: -808.146184
where:
bonds (distance) C4'-P energy: -144.068
bonds (distance) P-C4' energy: -145.977
flat angles C4'-P-C4' energy: -156.674
flat angles P-C4'-P energy: -110.439
tors. eta vs tors. theta energy: -250.987
Dist. restrs. and SS energy: 3.424 (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: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2639.680007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.680007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.039389 (E_RNA)
where:
Base-Base interactions energy: -1862.993
where: short stacking energy: -763.401
Base-Backbone interact. energy: -2.583
local terms energy: -784.463250
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -148.418
flat angles C4'-P-C4' energy: -164.201
flat angles P-C4'-P energy: -96.727
tors. eta vs tors. theta energy: -245.184
Dist. restrs. and SS energy: 10.359 (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: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2542.854075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.854075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.128564 (E_RNA)
where:
Base-Base interactions energy: -1822.399
where: short stacking energy: -723.250
Base-Backbone interact. energy: 1.232
local terms energy: -723.961914
where:
bonds (distance) C4'-P energy: -127.704
bonds (distance) P-C4' energy: -123.680
flat angles C4'-P-C4' energy: -152.047
flat angles P-C4'-P energy: -103.863
tors. eta vs tors. theta energy: -216.668
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2522.151959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.151959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.027761 (E_RNA)
where:
Base-Base interactions energy: -1783.565
where: short stacking energy: -709.777
Base-Backbone interact. energy: -2.589
local terms energy: -747.874541
where:
bonds (distance) C4'-P energy: -115.145
bonds (distance) P-C4' energy: -128.235
flat angles C4'-P-C4' energy: -167.816
flat angles P-C4'-P energy: -103.309
tors. eta vs tors. theta energy: -233.369
Dist. restrs. and SS energy: 11.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2425.409560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.409560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.428768 (E_RNA)
where:
Base-Base interactions energy: -1737.219
where: short stacking energy: -673.547
Base-Backbone interact. energy: -1.449
local terms energy: -690.761341
where:
bonds (distance) C4'-P energy: -123.167
bonds (distance) P-C4' energy: -115.886
flat angles C4'-P-C4' energy: -145.586
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -213.816
Dist. restrs. and SS energy: 4.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2308.613706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.613706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.132852 (E_RNA)
where:
Base-Base interactions energy: -1637.848
where: short stacking energy: -645.147
Base-Backbone interact. energy: -1.692
local terms energy: -685.592831
where:
bonds (distance) C4'-P energy: -118.498
bonds (distance) P-C4' energy: -124.542
flat angles C4'-P-C4' energy: -126.993
flat angles P-C4'-P energy: -100.888
tors. eta vs tors. theta energy: -214.672
Dist. restrs. and SS energy: 16.519 (S_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: 231
Temperature: 1.250000
Total energy: -2136.434426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.434426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.382506 (E_RNA)
where:
Base-Base interactions energy: -1499.551
where: short stacking energy: -607.605
Base-Backbone interact. energy: 1.033
local terms energy: -650.864485
where:
bonds (distance) C4'-P energy: -115.643
bonds (distance) P-C4' energy: -124.996
flat angles C4'-P-C4' energy: -135.061
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -192.078
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: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1986.226410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.226410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.942956 (E_RNA)
where:
Base-Base interactions energy: -1403.185
where: short stacking energy: -552.215
Base-Backbone interact. energy: -0.913
local terms energy: -607.844569
where:
bonds (distance) C4'-P energy: -119.540
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -143.957
flat angles P-C4'-P energy: -84.091
tors. eta vs tors. theta energy: -159.646
Dist. restrs. and SS energy: 25.717 (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: 231
Temperature: 1.350000
Total energy: -1944.160097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.160097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.637387 (E_RNA)
where:
Base-Base interactions energy: -1375.884
where: short stacking energy: -536.550
Base-Backbone interact. energy: -0.035
local terms energy: -591.718849
where:
bonds (distance) C4'-P energy: -87.863
bonds (distance) P-C4' energy: -130.758
flat angles C4'-P-C4' energy: -124.942
flat angles P-C4'-P energy: -80.849
tors. eta vs tors. theta energy: -167.307
Dist. restrs. and SS energy: 23.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2741.680952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.680952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.369839 (E_RNA)
where:
Base-Base interactions energy: -1939.750
where: short stacking energy: -801.952
Base-Backbone interact. energy: -2.867
local terms energy: -807.752985
where:
bonds (distance) C4'-P energy: -128.423
bonds (distance) P-C4' energy: -130.932
flat angles C4'-P-C4' energy: -173.468
flat angles P-C4'-P energy: -119.908
tors. eta vs tors. theta energy: -255.021
Dist. restrs. and SS energy: 8.689 (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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2705.342044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.453950 (E_RNA)
where:
Base-Base interactions energy: -1921.230
where: short stacking energy: -792.551
Base-Backbone interact. energy: -1.508
local terms energy: -784.715479
where:
bonds (distance) C4'-P energy: -129.812
bonds (distance) P-C4' energy: -130.771
flat angles C4'-P-C4' energy: -166.498
flat angles P-C4'-P energy: -112.879
tors. eta vs tors. theta energy: -244.756
Dist. restrs. and SS energy: 2.112 (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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2627.618771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.618771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.012093 (E_RNA)
where:
Base-Base interactions energy: -1852.485
where: short stacking energy: -739.577
Base-Backbone interact. energy: -1.636
local terms energy: -782.890923
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -140.917
flat angles C4'-P-C4' energy: -166.090
flat angles P-C4'-P energy: -92.542
tors. eta vs tors. theta energy: -240.227
Dist. restrs. and SS energy: 9.393 (S_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: 232
Temperature: 1.050000
Total energy: -2566.326941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.326941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.055911 (E_RNA)
where:
Base-Base interactions energy: -1824.482
where: short stacking energy: -744.384
Base-Backbone interact. energy: -0.819
local terms energy: -743.755075
where:
bonds (distance) C4'-P energy: -120.957
bonds (distance) P-C4' energy: -120.027
flat angles C4'-P-C4' energy: -154.246
flat angles P-C4'-P energy: -110.590
tors. eta vs tors. theta energy: -237.935
Dist. restrs. and SS energy: 2.729 (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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2449.921578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.921578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.664464 (E_RNA)
where:
Base-Base interactions energy: -1758.607
where: short stacking energy: -708.919
Base-Backbone interact. energy: -1.144
local terms energy: -703.913161
where:
bonds (distance) C4'-P energy: -133.280
bonds (distance) P-C4' energy: -108.599
flat angles C4'-P-C4' energy: -150.035
flat angles P-C4'-P energy: -91.214
tors. eta vs tors. theta energy: -220.786
Dist. restrs. and SS energy: 13.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2402.820162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.820162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.816366 (E_RNA)
where:
Base-Base interactions energy: -1738.038
where: short stacking energy: -706.683
Base-Backbone interact. energy: -0.048
local terms energy: -668.730494
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -146.404
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -210.230
Dist. restrs. and SS energy: 3.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2321.259646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.259646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.293728 (E_RNA)
where:
Base-Base interactions energy: -1674.671
where: short stacking energy: -668.110
Base-Backbone interact. energy: -1.555
local terms energy: -656.067767
where:
bonds (distance) C4'-P energy: -121.812
bonds (distance) P-C4' energy: -119.163
flat angles C4'-P-C4' energy: -131.165
flat angles P-C4'-P energy: -90.959
tors. eta vs tors. theta energy: -192.969
Dist. restrs. and SS energy: 11.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2152.895224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.895224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.281974 (E_RNA)
where:
Base-Base interactions energy: -1543.097
where: short stacking energy: -602.062
Base-Backbone interact. energy: -2.911
local terms energy: -618.274024
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -90.097
flat angles C4'-P-C4' energy: -138.423
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -192.838
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: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -2000.667489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.667489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.929527 (E_RNA)
where:
Base-Base interactions energy: -1451.272
where: short stacking energy: -584.367
Base-Backbone interact. energy: 0.054
local terms energy: -560.711232
where:
bonds (distance) C4'-P energy: -96.996
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -113.037
flat angles P-C4'-P energy: -75.772
tors. eta vs tors. theta energy: -170.175
Dist. restrs. and SS energy: 11.262 (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: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1950.696350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.696350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.408218 (E_RNA)
where:
Base-Base interactions energy: -1404.207
where: short stacking energy: -574.466
Base-Backbone interact. energy: 3.205
local terms energy: -575.406516
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -98.462
flat angles C4'-P-C4' energy: -136.840
flat angles P-C4'-P energy: -72.935
tors. eta vs tors. theta energy: -171.505
Dist. restrs. and SS energy: 25.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2743.931904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.931904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.338232 (E_RNA)
where:
Base-Base interactions energy: -1937.437
where: short stacking energy: -805.623
Base-Backbone interact. energy: 0.354
local terms energy: -816.254350
where:
bonds (distance) C4'-P energy: -144.594
bonds (distance) P-C4' energy: -131.776
flat angles C4'-P-C4' energy: -166.800
flat angles P-C4'-P energy: -123.029
tors. eta vs tors. theta energy: -250.056
Dist. restrs. and SS energy: 9.406 (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: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2667.698744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.698744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.052220 (E_RNA)
where:
Base-Base interactions energy: -1905.413
where: short stacking energy: -787.998
Base-Backbone interact. energy: -0.265
local terms energy: -772.374639
where:
bonds (distance) C4'-P energy: -116.869
bonds (distance) P-C4' energy: -134.946
flat angles C4'-P-C4' energy: -163.441
flat angles P-C4'-P energy: -113.834
tors. eta vs tors. theta energy: -243.285
Dist. restrs. and SS energy: 10.353 (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: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2662.131431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.503905 (E_RNA)
where:
Base-Base interactions energy: -1888.614
where: short stacking energy: -789.501
Base-Backbone interact. energy: 0.334
local terms energy: -777.223348
where:
bonds (distance) C4'-P energy: -146.380
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -151.738
flat angles P-C4'-P energy: -99.917
tors. eta vs tors. theta energy: -233.987
Dist. restrs. and SS energy: 3.372 (S_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: 233
Temperature: 1.050000
Total energy: -2596.132454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.132454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.118048 (E_RNA)
where:
Base-Base interactions energy: -1833.491
where: short stacking energy: -742.124
Base-Backbone interact. energy: -0.435
local terms energy: -766.191427
where:
bonds (distance) C4'-P energy: -131.985
bonds (distance) P-C4' energy: -137.277
flat angles C4'-P-C4' energy: -154.927
flat angles P-C4'-P energy: -113.639
tors. eta vs tors. theta energy: -228.364
Dist. restrs. and SS energy: 3.986 (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: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2493.769769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.769769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.695647 (E_RNA)
where:
Base-Base interactions energy: -1779.575
where: short stacking energy: -735.356
Base-Backbone interact. energy: -1.946
local terms energy: -724.174795
where:
bonds (distance) C4'-P energy: -121.405
bonds (distance) P-C4' energy: -129.023
flat angles C4'-P-C4' energy: -147.324
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -226.344
Dist. restrs. and SS energy: 11.926 (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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2414.522624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.522624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.950801 (E_RNA)
where:
Base-Base interactions energy: -1726.072
where: short stacking energy: -710.836
Base-Backbone interact. energy: -0.195
local terms energy: -693.683716
where:
bonds (distance) C4'-P energy: -114.244
bonds (distance) P-C4' energy: -125.392
flat angles C4'-P-C4' energy: -152.257
flat angles P-C4'-P energy: -86.379
tors. eta vs tors. theta energy: -215.412
Dist. restrs. and SS energy: 5.428 (S_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: 233
Temperature: 1.200000
Total energy: -2338.373173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.373173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.677597 (E_RNA)
where:
Base-Base interactions energy: -1663.911
where: short stacking energy: -672.498
Base-Backbone interact. energy: -2.252
local terms energy: -684.514475
where:
bonds (distance) C4'-P energy: -120.272
bonds (distance) P-C4' energy: -126.018
flat angles C4'-P-C4' energy: -141.941
flat angles P-C4'-P energy: -92.855
tors. eta vs tors. theta energy: -203.428
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: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2126.491774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.491774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.855064 (E_RNA)
where:
Base-Base interactions energy: -1515.499
where: short stacking energy: -612.972
Base-Backbone interact. energy: -1.958
local terms energy: -629.398156
where:
bonds (distance) C4'-P energy: -97.575
bonds (distance) P-C4' energy: -107.522
flat angles C4'-P-C4' energy: -143.962
flat angles P-C4'-P energy: -87.836
tors. eta vs tors. theta energy: -192.503
Dist. restrs. and SS energy: 20.363 (S_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: 233
Temperature: 1.300000
Total energy: -2090.709919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.709919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.986446 (E_RNA)
where:
Base-Base interactions energy: -1482.533
where: short stacking energy: -603.784
Base-Backbone interact. energy: 4.331
local terms energy: -628.785328
where:
bonds (distance) C4'-P energy: -125.320
bonds (distance) P-C4' energy: -115.300
flat angles C4'-P-C4' energy: -142.070
flat angles P-C4'-P energy: -73.701
tors. eta vs tors. theta energy: -172.395
Dist. restrs. and SS energy: 16.277 (S_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: 233
Temperature: 1.350000
Total energy: -1903.043963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.043963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.794912 (E_RNA)
where:
Base-Base interactions energy: -1359.530
where: short stacking energy: -541.927
Base-Backbone interact. energy: 2.197
local terms energy: -569.461163
where:
bonds (distance) C4'-P energy: -103.877
bonds (distance) P-C4' energy: -101.410
flat angles C4'-P-C4' energy: -120.073
flat angles P-C4'-P energy: -87.457
tors. eta vs tors. theta energy: -156.644
Dist. restrs. and SS energy: 23.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2761.803536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.803536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.227740 (E_RNA)
where:
Base-Base interactions energy: -1967.888
where: short stacking energy: -790.678
Base-Backbone interact. energy: 1.538
local terms energy: -805.877775
where:
bonds (distance) C4'-P energy: -127.773
bonds (distance) P-C4' energy: -148.665
flat angles C4'-P-C4' energy: -166.391
flat angles P-C4'-P energy: -116.635
tors. eta vs tors. theta energy: -246.414
Dist. restrs. and SS energy: 10.424 (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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2703.712378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.712378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.360430 (E_RNA)
where:
Base-Base interactions energy: -1900.379
where: short stacking energy: -784.994
Base-Backbone interact. energy: -3.535
local terms energy: -810.446244
where:
bonds (distance) C4'-P energy: -140.266
bonds (distance) P-C4' energy: -151.249
flat angles C4'-P-C4' energy: -165.239
flat angles P-C4'-P energy: -109.848
tors. eta vs tors. theta energy: -243.845
Dist. restrs. and SS energy: 10.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2644.732868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.732868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.253060 (E_RNA)
where:
Base-Base interactions energy: -1871.333
where: short stacking energy: -755.515
Base-Backbone interact. energy: -5.504
local terms energy: -776.415393
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -132.629
flat angles C4'-P-C4' energy: -164.602
flat angles P-C4'-P energy: -119.151
tors. eta vs tors. theta energy: -236.242
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2631.215405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.215405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.689207 (E_RNA)
where:
Base-Base interactions energy: -1864.165
where: short stacking energy: -762.370
Base-Backbone interact. energy: -3.215
local terms energy: -769.309232
where:
bonds (distance) C4'-P energy: -113.091
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -158.224
flat angles P-C4'-P energy: -108.064
tors. eta vs tors. theta energy: -249.692
Dist. restrs. and SS energy: 5.474 (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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2504.357436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.357436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.337861 (E_RNA)
where:
Base-Base interactions energy: -1784.088
where: short stacking energy: -746.202
Base-Backbone interact. energy: -1.159
local terms energy: -730.090724
where:
bonds (distance) C4'-P energy: -118.620
bonds (distance) P-C4' energy: -128.944
flat angles C4'-P-C4' energy: -147.511
flat angles P-C4'-P energy: -103.773
tors. eta vs tors. theta energy: -231.242
Dist. restrs. and SS energy: 10.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2395.024693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.763919 (E_RNA)
where:
Base-Base interactions energy: -1717.751
where: short stacking energy: -705.712
Base-Backbone interact. energy: -1.098
local terms energy: -689.914152
where:
bonds (distance) C4'-P energy: -102.564
bonds (distance) P-C4' energy: -128.785
flat angles C4'-P-C4' energy: -135.523
flat angles P-C4'-P energy: -96.851
tors. eta vs tors. theta energy: -226.192
Dist. restrs. and SS energy: 13.739 (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: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2302.362043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.362043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.708998 (E_RNA)
where:
Base-Base interactions energy: -1621.695
where: short stacking energy: -638.647
Base-Backbone interact. energy: -1.304
local terms energy: -688.710619
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -128.036
flat angles C4'-P-C4' energy: -151.935
flat angles P-C4'-P energy: -104.894
tors. eta vs tors. theta energy: -192.396
Dist. restrs. and SS energy: 9.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2114.998150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.998150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.631267 (E_RNA)
where:
Base-Base interactions energy: -1519.331
where: short stacking energy: -615.816
Base-Backbone interact. energy: -0.925
local terms energy: -610.374514
where:
bonds (distance) C4'-P energy: -116.083
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -123.407
flat angles P-C4'-P energy: -78.585
tors. eta vs tors. theta energy: -183.522
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: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -2060.767437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.767437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.252071 (E_RNA)
where:
Base-Base interactions energy: -1501.233
where: short stacking energy: -606.643
Base-Backbone interact. energy: -1.632
local terms energy: -578.387365
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -132.518
flat angles P-C4'-P energy: -77.869
tors. eta vs tors. theta energy: -172.747
Dist. restrs. and SS energy: 20.485 (S_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: 234
Temperature: 1.350000
Total energy: -1952.989385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.989385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.492025 (E_RNA)
where:
Base-Base interactions energy: -1428.862
where: short stacking energy: -570.990
Base-Backbone interact. energy: -0.391
local terms energy: -545.238844
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -102.458
flat angles C4'-P-C4' energy: -125.296
flat angles P-C4'-P energy: -59.647
tors. eta vs tors. theta energy: -171.695
Dist. restrs. and SS energy: 21.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2738.173136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.173136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.331611 (E_RNA)
where:
Base-Base interactions energy: -1935.695
where: short stacking energy: -786.632
Base-Backbone interact. energy: -2.491
local terms energy: -810.146066
where:
bonds (distance) C4'-P energy: -130.696
bonds (distance) P-C4' energy: -149.390
flat angles C4'-P-C4' energy: -166.041
flat angles P-C4'-P energy: -125.180
tors. eta vs tors. theta energy: -238.840
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: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2697.031154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.031154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.814258 (E_RNA)
where:
Base-Base interactions energy: -1912.193
where: short stacking energy: -788.178
Base-Backbone interact. energy: 0.522
local terms energy: -793.142800
where:
bonds (distance) C4'-P energy: -144.136
bonds (distance) P-C4' energy: -136.639
flat angles C4'-P-C4' energy: -167.918
flat angles P-C4'-P energy: -103.171
tors. eta vs tors. theta energy: -241.279
Dist. restrs. and SS energy: 7.783 (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: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2642.920815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.920815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.539933 (E_RNA)
where:
Base-Base interactions energy: -1882.909
where: short stacking energy: -754.357
Base-Backbone interact. energy: -1.164
local terms energy: -766.466767
where:
bonds (distance) C4'-P energy: -131.428
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -167.991
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -236.034
Dist. restrs. and SS energy: 7.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2582.460242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.460242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.042506 (E_RNA)
where:
Base-Base interactions energy: -1837.198
where: short stacking energy: -741.684
Base-Backbone interact. energy: -0.731
local terms energy: -746.113436
where:
bonds (distance) C4'-P energy: -138.575
bonds (distance) P-C4' energy: -135.545
flat angles C4'-P-C4' energy: -150.965
flat angles P-C4'-P energy: -96.949
tors. eta vs tors. theta energy: -224.079
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2510.950228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.950228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.960642 (E_RNA)
where:
Base-Base interactions energy: -1759.052
where: short stacking energy: -728.770
Base-Backbone interact. energy: 1.897
local terms energy: -767.806016
where:
bonds (distance) C4'-P energy: -143.410
bonds (distance) P-C4' energy: -110.349
flat angles C4'-P-C4' energy: -168.333
flat angles P-C4'-P energy: -105.871
tors. eta vs tors. theta energy: -239.844
Dist. restrs. and SS energy: 14.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2405.660661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.660661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.361609 (E_RNA)
where:
Base-Base interactions energy: -1697.914
where: short stacking energy: -711.808
Base-Backbone interact. energy: -1.634
local terms energy: -714.814175
where:
bonds (distance) C4'-P energy: -123.059
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -157.363
flat angles P-C4'-P energy: -107.603
tors. eta vs tors. theta energy: -226.484
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: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2277.390577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.390577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.960970 (E_RNA)
where:
Base-Base interactions energy: -1625.077
where: short stacking energy: -637.676
Base-Backbone interact. energy: -2.109
local terms energy: -661.775275
where:
bonds (distance) C4'-P energy: -120.755
bonds (distance) P-C4' energy: -129.842
flat angles C4'-P-C4' energy: -129.744
flat angles P-C4'-P energy: -83.270
tors. eta vs tors. theta energy: -198.164
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2094.562541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.562541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.010418 (E_RNA)
where:
Base-Base interactions energy: -1488.512
where: short stacking energy: -586.266
Base-Backbone interact. energy: -1.523
local terms energy: -614.975275
where:
bonds (distance) C4'-P energy: -108.961
bonds (distance) P-C4' energy: -116.708
flat angles C4'-P-C4' energy: -120.272
flat angles P-C4'-P energy: -97.189
tors. eta vs tors. theta energy: -171.845
Dist. restrs. and SS energy: 10.448 (S_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: 235
Temperature: 1.300000
Total energy: -2067.335147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.335147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.309003 (E_RNA)
where:
Base-Base interactions energy: -1471.499
where: short stacking energy: -599.707
Base-Backbone interact. energy: -1.791
local terms energy: -610.018659
where:
bonds (distance) C4'-P energy: -112.524
bonds (distance) P-C4' energy: -102.237
flat angles C4'-P-C4' energy: -129.048
flat angles P-C4'-P energy: -81.334
tors. eta vs tors. theta energy: -184.876
Dist. restrs. and SS energy: 15.974 (S_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: 235
Temperature: 1.350000
Total energy: -1943.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.360285 (E_RNA)
where:
Base-Base interactions energy: -1403.682
where: short stacking energy: -550.921
Base-Backbone interact. energy: 2.535
local terms energy: -558.213379
where:
bonds (distance) C4'-P energy: -110.795
bonds (distance) P-C4' energy: -71.109
flat angles C4'-P-C4' energy: -142.042
flat angles P-C4'-P energy: -68.696
tors. eta vs tors. theta energy: -165.571
Dist. restrs. and SS energy: 16.042 (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: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2761.166769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.166769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.642079 (E_RNA)
where:
Base-Base interactions energy: -1959.461
where: short stacking energy: -812.197
Base-Backbone interact. energy: -1.091
local terms energy: -811.089568
where:
bonds (distance) C4'-P energy: -142.504
bonds (distance) P-C4' energy: -136.633
flat angles C4'-P-C4' energy: -171.807
flat angles P-C4'-P energy: -115.322
tors. eta vs tors. theta energy: -244.823
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: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2668.924265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.924265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.721413 (E_RNA)
where:
Base-Base interactions energy: -1846.789
where: short stacking energy: -778.426
Base-Backbone interact. energy: -2.975
local terms energy: -825.957100
where:
bonds (distance) C4'-P energy: -150.113
bonds (distance) P-C4' energy: -142.594
flat angles C4'-P-C4' energy: -173.109
flat angles P-C4'-P energy: -120.406
tors. eta vs tors. theta energy: -239.735
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: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2673.710371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.710371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.733008 (E_RNA)
where:
Base-Base interactions energy: -1894.443
where: short stacking energy: -759.295
Base-Backbone interact. energy: 0.943
local terms energy: -786.233054
where:
bonds (distance) C4'-P energy: -125.648
bonds (distance) P-C4' energy: -136.004
flat angles C4'-P-C4' energy: -158.744
flat angles P-C4'-P energy: -122.734
tors. eta vs tors. theta energy: -243.103
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: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2569.548503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.548503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.709888 (E_RNA)
where:
Base-Base interactions energy: -1823.804
where: short stacking energy: -729.359
Base-Backbone interact. energy: -1.087
local terms energy: -748.818060
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -136.066
flat angles C4'-P-C4' energy: -152.229
flat angles P-C4'-P energy: -109.981
tors. eta vs tors. theta energy: -231.986
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2466.836119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.836119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.035428 (E_RNA)
where:
Base-Base interactions energy: -1737.023
where: short stacking energy: -703.642
Base-Backbone interact. energy: -1.532
local terms energy: -738.480362
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -147.815
flat angles C4'-P-C4' energy: -151.001
flat angles P-C4'-P energy: -88.837
tors. eta vs tors. theta energy: -230.562
Dist. restrs. and SS energy: 10.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2426.752310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.752310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.339490 (E_RNA)
where:
Base-Base interactions energy: -1733.774
where: short stacking energy: -722.275
Base-Backbone interact. energy: -1.826
local terms energy: -697.739118
where:
bonds (distance) C4'-P energy: -128.717
bonds (distance) P-C4' energy: -111.395
flat angles C4'-P-C4' energy: -135.562
flat angles P-C4'-P energy: -92.746
tors. eta vs tors. theta energy: -229.319
Dist. restrs. and SS energy: 6.587 (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: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2319.002859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.002859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.162563 (E_RNA)
where:
Base-Base interactions energy: -1681.467
where: short stacking energy: -699.971
Base-Backbone interact. energy: -1.821
local terms energy: -647.873830
where:
bonds (distance) C4'-P energy: -105.275
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -139.658
flat angles P-C4'-P energy: -85.478
tors. eta vs tors. theta energy: -208.364
Dist. restrs. and SS energy: 12.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2085.633707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.633707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.541321 (E_RNA)
where:
Base-Base interactions energy: -1493.625
where: short stacking energy: -621.144
Base-Backbone interact. energy: 4.985
local terms energy: -619.901061
where:
bonds (distance) C4'-P energy: -116.066
bonds (distance) P-C4' energy: -105.866
flat angles C4'-P-C4' energy: -123.475
flat angles P-C4'-P energy: -90.588
tors. eta vs tors. theta energy: -183.906
Dist. restrs. and SS energy: 22.908 (S_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: 236
Temperature: 1.300000
Total energy: -2087.183713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.183713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.586865 (E_RNA)
where:
Base-Base interactions energy: -1463.304
where: short stacking energy: -605.152
Base-Backbone interact. energy: -2.706
local terms energy: -639.576883
where:
bonds (distance) C4'-P energy: -97.283
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -137.013
flat angles P-C4'-P energy: -86.554
tors. eta vs tors. theta energy: -190.801
Dist. restrs. and SS energy: 18.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -2013.506068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.506068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.104533 (E_RNA)
where:
Base-Base interactions energy: -1447.776
where: short stacking energy: -580.439
Base-Backbone interact. energy: 0.524
local terms energy: -585.852600
where:
bonds (distance) C4'-P energy: -101.005
bonds (distance) P-C4' energy: -105.138
flat angles C4'-P-C4' energy: -126.712
flat angles P-C4'-P energy: -76.999
tors. eta vs tors. theta energy: -175.998
Dist. restrs. and SS energy: 19.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2757.145802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.145802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.343356 (E_RNA)
where:
Base-Base interactions energy: -1937.664
where: short stacking energy: -797.947
Base-Backbone interact. energy: -1.026
local terms energy: -828.654254
where:
bonds (distance) C4'-P energy: -137.351
bonds (distance) P-C4' energy: -140.148
flat angles C4'-P-C4' energy: -169.404
flat angles P-C4'-P energy: -131.906
tors. eta vs tors. theta energy: -249.846
Dist. restrs. and SS energy: 10.198 (S_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: -2753.666362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.666362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.035950 (E_RNA)
where:
Base-Base interactions energy: -1953.517
where: short stacking energy: -786.370
Base-Backbone interact. energy: -3.976
local terms energy: -803.542262
where:
bonds (distance) C4'-P energy: -144.348
bonds (distance) P-C4' energy: -139.730
flat angles C4'-P-C4' energy: -166.220
flat angles P-C4'-P energy: -110.201
tors. eta vs tors. theta energy: -243.043
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: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2668.167005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.167005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.965999 (E_RNA)
where:
Base-Base interactions energy: -1869.712
where: short stacking energy: -773.443
Base-Backbone interact. energy: -3.081
local terms energy: -803.172544
where:
bonds (distance) C4'-P energy: -147.843
bonds (distance) P-C4' energy: -135.039
flat angles C4'-P-C4' energy: -166.652
flat angles P-C4'-P energy: -109.840
tors. eta vs tors. theta energy: -243.799
Dist. restrs. and SS energy: 7.799 (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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2562.952334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.952334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.223946 (E_RNA)
where:
Base-Base interactions energy: -1793.726
where: short stacking energy: -743.082
Base-Backbone interact. energy: 0.241
local terms energy: -771.739739
where:
bonds (distance) C4'-P energy: -138.615
bonds (distance) P-C4' energy: -138.962
flat angles C4'-P-C4' energy: -154.445
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -235.944
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: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2454.269799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.269799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.955176 (E_RNA)
where:
Base-Base interactions energy: -1727.556
where: short stacking energy: -693.521
Base-Backbone interact. energy: -1.867
local terms energy: -732.531950
where:
bonds (distance) C4'-P energy: -152.519
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -154.737
flat angles P-C4'-P energy: -98.323
tors. eta vs tors. theta energy: -213.773
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: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2440.282165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.282165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.630543 (E_RNA)
where:
Base-Base interactions energy: -1745.079
where: short stacking energy: -701.742
Base-Backbone interact. energy: -1.163
local terms energy: -700.389257
where:
bonds (distance) C4'-P energy: -117.938
bonds (distance) P-C4' energy: -111.104
flat angles C4'-P-C4' energy: -147.208
flat angles P-C4'-P energy: -103.913
tors. eta vs tors. theta energy: -220.225
Dist. restrs. and SS energy: 6.348 (S_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: 237
Temperature: 1.200000
Total energy: -2301.439243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.439243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.788180 (E_RNA)
where:
Base-Base interactions energy: -1642.477
where: short stacking energy: -644.063
Base-Backbone interact. energy: -0.063
local terms energy: -671.248120
where:
bonds (distance) C4'-P energy: -102.621
bonds (distance) P-C4' energy: -124.368
flat angles C4'-P-C4' energy: -134.748
flat angles P-C4'-P energy: -102.085
tors. eta vs tors. theta energy: -207.427
Dist. restrs. and SS energy: 12.349 (S_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: 237
Temperature: 1.250000
Total energy: -2131.104205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.104205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.441298 (E_RNA)
where:
Base-Base interactions energy: -1513.791
where: short stacking energy: -604.899
Base-Backbone interact. energy: -4.230
local terms energy: -630.419541
where:
bonds (distance) C4'-P energy: -117.306
bonds (distance) P-C4' energy: -102.038
flat angles C4'-P-C4' energy: -136.986
flat angles P-C4'-P energy: -98.944
tors. eta vs tors. theta energy: -175.146
Dist. restrs. and SS energy: 17.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -2035.925960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.925960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.544112 (E_RNA)
where:
Base-Base interactions energy: -1439.479
where: short stacking energy: -578.832
Base-Backbone interact. energy: 1.450
local terms energy: -616.515989
where:
bonds (distance) C4'-P energy: -116.665
bonds (distance) P-C4' energy: -123.054
flat angles C4'-P-C4' energy: -125.543
flat angles P-C4'-P energy: -85.638
tors. eta vs tors. theta energy: -165.616
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: 237
Temperature: 1.350000
Total energy: -1990.897805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.897805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.768506 (E_RNA)
where:
Base-Base interactions energy: -1421.331
where: short stacking energy: -560.998
Base-Backbone interact. energy: -0.156
local terms energy: -587.281585
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -91.809
flat angles C4'-P-C4' energy: -140.825
flat angles P-C4'-P energy: -81.175
tors. eta vs tors. theta energy: -164.419
Dist. restrs. and SS energy: 17.871 (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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2741.513038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.513038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.802585 (E_RNA)
where:
Base-Base interactions energy: -1940.593
where: short stacking energy: -792.499
Base-Backbone interact. energy: -3.757
local terms energy: -806.451986
where:
bonds (distance) C4'-P energy: -126.273
bonds (distance) P-C4' energy: -153.756
flat angles C4'-P-C4' energy: -169.792
flat angles P-C4'-P energy: -115.736
tors. eta vs tors. theta energy: -240.895
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: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2694.930118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.930118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.240256 (E_RNA)
where:
Base-Base interactions energy: -1892.797
where: short stacking energy: -776.062
Base-Backbone interact. energy: -6.288
local terms energy: -803.155245
where:
bonds (distance) C4'-P energy: -134.257
bonds (distance) P-C4' energy: -145.147
flat angles C4'-P-C4' energy: -164.568
flat angles P-C4'-P energy: -115.917
tors. eta vs tors. theta energy: -243.267
Dist. restrs. and SS energy: 7.310 (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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2585.463135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.463135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.811419 (E_RNA)
where:
Base-Base interactions energy: -1829.699
where: short stacking energy: -736.998
Base-Backbone interact. energy: 0.848
local terms energy: -766.959680
where:
bonds (distance) C4'-P energy: -131.431
bonds (distance) P-C4' energy: -134.714
flat angles C4'-P-C4' energy: -155.546
flat angles P-C4'-P energy: -113.517
tors. eta vs tors. theta energy: -231.752
Dist. restrs. and SS energy: 10.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2592.888827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.888827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.924656 (E_RNA)
where:
Base-Base interactions energy: -1838.863
where: short stacking energy: -760.339
Base-Backbone interact. energy: -0.667
local terms energy: -756.394815
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -165.281
flat angles P-C4'-P energy: -110.365
tors. eta vs tors. theta energy: -229.124
Dist. restrs. and SS energy: 3.036 (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: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2488.425192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.425192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.827095 (E_RNA)
where:
Base-Base interactions energy: -1808.875
where: short stacking energy: -748.009
Base-Backbone interact. energy: -1.260
local terms energy: -685.692829
where:
bonds (distance) C4'-P energy: -119.275
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -144.996
flat angles P-C4'-P energy: -92.291
tors. eta vs tors. theta energy: -232.163
Dist. restrs. and SS energy: 7.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2410.777480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.777480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.186482 (E_RNA)
where:
Base-Base interactions energy: -1731.690
where: short stacking energy: -717.610
Base-Backbone interact. energy: 0.242
local terms energy: -688.739064
where:
bonds (distance) C4'-P energy: -103.334
bonds (distance) P-C4' energy: -129.716
flat angles C4'-P-C4' energy: -146.264
flat angles P-C4'-P energy: -91.408
tors. eta vs tors. theta energy: -218.017
Dist. restrs. and SS energy: 9.409 (S_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: 238
Temperature: 1.200000
Total energy: -2298.816622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.816622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.163857 (E_RNA)
where:
Base-Base interactions energy: -1653.504
where: short stacking energy: -680.908
Base-Backbone interact. energy: -3.054
local terms energy: -652.605916
where:
bonds (distance) C4'-P energy: -120.911
bonds (distance) P-C4' energy: -100.723
flat angles C4'-P-C4' energy: -141.675
flat angles P-C4'-P energy: -84.902
tors. eta vs tors. theta energy: -204.396
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: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2117.441428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.441428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.485574 (E_RNA)
where:
Base-Base interactions energy: -1524.950
where: short stacking energy: -613.935
Base-Backbone interact. energy: -0.632
local terms energy: -606.904134
where:
bonds (distance) C4'-P energy: -111.296
bonds (distance) P-C4' energy: -111.793
flat angles C4'-P-C4' energy: -129.720
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -173.168
Dist. restrs. and SS energy: 15.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -2051.786969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.786969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.661122 (E_RNA)
where:
Base-Base interactions energy: -1480.240
where: short stacking energy: -563.665
Base-Backbone interact. energy: -0.803
local terms energy: -583.618306
where:
bonds (distance) C4'-P energy: -122.288
bonds (distance) P-C4' energy: -92.488
flat angles C4'-P-C4' energy: -132.709
flat angles P-C4'-P energy: -66.556
tors. eta vs tors. theta energy: -169.578
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1936.605824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.605824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.853393 (E_RNA)
where:
Base-Base interactions energy: -1363.510
where: short stacking energy: -553.762
Base-Backbone interact. energy: 1.057
local terms energy: -607.400272
where:
bonds (distance) C4'-P energy: -113.106
bonds (distance) P-C4' energy: -116.643
flat angles C4'-P-C4' energy: -130.939
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -167.207
Dist. restrs. and SS energy: 33.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2745.994104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.994104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.067633 (E_RNA)
where:
Base-Base interactions energy: -1946.000
where: short stacking energy: -796.930
Base-Backbone interact. energy: -0.652
local terms energy: -809.416345
where:
bonds (distance) C4'-P energy: -132.233
bonds (distance) P-C4' energy: -137.451
flat angles C4'-P-C4' energy: -176.854
flat angles P-C4'-P energy: -111.125
tors. eta vs tors. theta energy: -251.754
Dist. restrs. and SS energy: 10.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2709.698274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.698274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.899728 (E_RNA)
where:
Base-Base interactions energy: -1925.776
where: short stacking energy: -792.902
Base-Backbone interact. energy: -4.385
local terms energy: -786.738601
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -134.654
flat angles C4'-P-C4' energy: -162.377
flat angles P-C4'-P energy: -119.581
tors. eta vs tors. theta energy: -243.301
Dist. restrs. and SS energy: 7.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2597.732042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.732042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.170200 (E_RNA)
where:
Base-Base interactions energy: -1828.439
where: short stacking energy: -761.898
Base-Backbone interact. energy: 0.075
local terms energy: -781.806850
where:
bonds (distance) C4'-P energy: -129.922
bonds (distance) P-C4' energy: -122.254
flat angles C4'-P-C4' energy: -176.434
flat angles P-C4'-P energy: -113.735
tors. eta vs tors. theta energy: -239.463
Dist. restrs. and SS energy: 12.438 (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: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2583.548295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.548295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.326722 (E_RNA)
where:
Base-Base interactions energy: -1829.287
where: short stacking energy: -748.543
Base-Backbone interact. energy: 2.473
local terms energy: -761.512141
where:
bonds (distance) C4'-P energy: -131.813
bonds (distance) P-C4' energy: -127.558
flat angles C4'-P-C4' energy: -162.294
flat angles P-C4'-P energy: -105.595
tors. eta vs tors. theta energy: -234.253
Dist. restrs. and SS energy: 4.778 (S_DIST_RNA)
chem. 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: -2468.547041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.547041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.287918 (E_RNA)
where:
Base-Base interactions energy: -1746.452
where: short stacking energy: -704.868
Base-Backbone interact. energy: -2.792
local terms energy: -728.043983
where:
bonds (distance) C4'-P energy: -118.413
bonds (distance) P-C4' energy: -137.200
flat angles C4'-P-C4' energy: -151.742
flat angles P-C4'-P energy: -103.793
tors. eta vs tors. theta energy: -216.896
Dist. restrs. and SS energy: 8.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2374.649569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.649569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.271758 (E_RNA)
where:
Base-Base interactions energy: -1693.973
where: short stacking energy: -654.909
Base-Backbone interact. energy: -1.099
local terms energy: -687.200333
where:
bonds (distance) C4'-P energy: -110.555
bonds (distance) P-C4' energy: -125.522
flat angles C4'-P-C4' energy: -151.482
flat angles P-C4'-P energy: -95.186
tors. eta vs tors. theta energy: -204.455
Dist. restrs. and SS energy: 7.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2352.093821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.093821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.571759 (E_RNA)
where:
Base-Base interactions energy: -1681.856
where: short stacking energy: -682.278
Base-Backbone interact. energy: 0.699
local terms energy: -680.415396
where:
bonds (distance) C4'-P energy: -119.765
bonds (distance) P-C4' energy: -127.860
flat angles C4'-P-C4' energy: -138.476
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -208.623
Dist. restrs. and SS energy: 9.478 (S_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: 239
Temperature: 1.250000
Total energy: -2108.897147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.897147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.819317 (E_RNA)
where:
Base-Base interactions energy: -1520.628
where: short stacking energy: -618.897
Base-Backbone interact. energy: -1.426
local terms energy: -602.765394
where:
bonds (distance) C4'-P energy: -85.287
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -134.959
flat angles P-C4'-P energy: -85.649
tors. eta vs tors. theta energy: -192.111
Dist. restrs. and SS energy: 15.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -2092.638369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.638369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.885335 (E_RNA)
where:
Base-Base interactions energy: -1508.996
where: short stacking energy: -587.379
Base-Backbone interact. energy: 1.944
local terms energy: -600.832716
where:
bonds (distance) C4'-P energy: -97.898
bonds (distance) P-C4' energy: -108.527
flat angles C4'-P-C4' energy: -135.353
flat angles P-C4'-P energy: -82.015
tors. eta vs tors. theta energy: -177.040
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: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -2001.754172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.754172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.477797 (E_RNA)
where:
Base-Base interactions energy: -1426.981
where: short stacking energy: -586.599
Base-Backbone interact. energy: 0.121
local terms energy: -602.617050
where:
bonds (distance) C4'-P energy: -111.541
bonds (distance) P-C4' energy: -91.036
flat angles C4'-P-C4' energy: -129.587
flat angles P-C4'-P energy: -92.334
tors. eta vs tors. theta energy: -178.119
Dist. restrs. and SS energy: 27.724 (S_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: 240
Temperature: 0.900000
Total energy: -2753.941538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.941538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.362422 (E_RNA)
where:
Base-Base interactions energy: -1935.361
where: short stacking energy: -802.462
Base-Backbone interact. energy: -0.018
local terms energy: -830.982830
where:
bonds (distance) C4'-P energy: -150.115
bonds (distance) P-C4' energy: -135.636
flat angles C4'-P-C4' energy: -173.044
flat angles P-C4'-P energy: -124.330
tors. eta vs tors. theta energy: -247.857
Dist. restrs. and SS energy: 12.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2691.586094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.586094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.112572 (E_RNA)
where:
Base-Base interactions energy: -1903.347
where: short stacking energy: -790.869
Base-Backbone interact. energy: -0.751
local terms energy: -793.014578
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -138.745
flat angles C4'-P-C4' energy: -167.983
flat angles P-C4'-P energy: -105.149
tors. eta vs tors. theta energy: -248.619
Dist. restrs. and SS energy: 5.526 (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: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2623.836112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.836112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.746945 (E_RNA)
where:
Base-Base interactions energy: -1862.922
where: short stacking energy: -740.414
Base-Backbone interact. energy: -2.173
local terms energy: -762.652007
where:
bonds (distance) C4'-P energy: -129.943
bonds (distance) P-C4' energy: -145.187
flat angles C4'-P-C4' energy: -159.606
flat angles P-C4'-P energy: -98.356
tors. eta vs tors. theta energy: -229.560
Dist. restrs. and SS energy: 3.911 (S_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: 240
Temperature: 1.050000
Total energy: -2560.073064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.073064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.160394 (E_RNA)
where:
Base-Base interactions energy: -1808.989
where: short stacking energy: -744.299
Base-Backbone interact. energy: 0.774
local terms energy: -764.944857
where:
bonds (distance) C4'-P energy: -142.946
bonds (distance) P-C4' energy: -126.242
flat angles C4'-P-C4' energy: -151.873
flat angles P-C4'-P energy: -108.563
tors. eta vs tors. theta energy: -235.320
Dist. restrs. and SS energy: 13.087 (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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2476.156420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.156420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.175919 (E_RNA)
where:
Base-Base interactions energy: -1738.124
where: short stacking energy: -717.286
Base-Backbone interact. energy: -0.891
local terms energy: -744.160369
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -120.780
flat angles C4'-P-C4' energy: -147.153
flat angles P-C4'-P energy: -102.186
tors. eta vs tors. theta energy: -233.429
Dist. restrs. and SS energy: 7.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2368.893527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.893527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.710055 (E_RNA)
where:
Base-Base interactions energy: -1707.258
where: short stacking energy: -686.845
Base-Backbone interact. energy: -1.285
local terms energy: -666.166926
where:
bonds (distance) C4'-P energy: -104.627
bonds (distance) P-C4' energy: -111.197
flat angles C4'-P-C4' energy: -139.331
flat angles P-C4'-P energy: -97.709
tors. eta vs tors. theta energy: -213.303
Dist. restrs. and SS energy: 5.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2315.891919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.891919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.691981 (E_RNA)
where:
Base-Base interactions energy: -1651.603
where: short stacking energy: -679.720
Base-Backbone interact. energy: -1.560
local terms energy: -674.529576
where:
bonds (distance) C4'-P energy: -116.041
bonds (distance) P-C4' energy: -115.865
flat angles C4'-P-C4' energy: -141.789
flat angles P-C4'-P energy: -98.821
tors. eta vs tors. theta energy: -202.014
Dist. restrs. and SS energy: 11.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2160.476733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.476733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.326924 (E_RNA)
where:
Base-Base interactions energy: -1541.211
where: short stacking energy: -611.621
Base-Backbone interact. energy: -1.642
local terms energy: -629.474557
where:
bonds (distance) C4'-P energy: -110.138
bonds (distance) P-C4' energy: -98.513
flat angles C4'-P-C4' energy: -142.682
flat angles P-C4'-P energy: -90.429
tors. eta vs tors. theta energy: -187.712
Dist. restrs. and SS energy: 11.850 (S_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: 240
Temperature: 1.300000
Total energy: -2068.309963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.309963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.219776 (E_RNA)
where:
Base-Base interactions energy: -1462.944
where: short stacking energy: -584.164
Base-Backbone interact. energy: -2.867
local terms energy: -623.408795
where:
bonds (distance) C4'-P energy: -109.925
bonds (distance) P-C4' energy: -95.699
flat angles C4'-P-C4' energy: -146.375
flat angles P-C4'-P energy: -91.596
tors. eta vs tors. theta energy: -179.815
Dist. restrs. and SS energy: 20.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -2019.190974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.190974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.438342 (E_RNA)
where:
Base-Base interactions energy: -1442.315
where: short stacking energy: -566.458
Base-Backbone interact. energy: -2.785
local terms energy: -592.338385
where:
bonds (distance) C4'-P energy: -118.884
bonds (distance) P-C4' energy: -100.564
flat angles C4'-P-C4' energy: -122.213
flat angles P-C4'-P energy: -77.564
tors. eta vs tors. theta energy: -173.114
Dist. restrs. and SS energy: 18.247 (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: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2767.664934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.664934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.987525 (E_RNA)
where:
Base-Base interactions energy: -1954.761
where: short stacking energy: -825.357
Base-Backbone interact. energy: -2.063
local terms energy: -824.163351
where:
bonds (distance) C4'-P energy: -131.804
bonds (distance) P-C4' energy: -150.571
flat angles C4'-P-C4' energy: -171.341
flat angles P-C4'-P energy: -119.104
tors. eta vs tors. theta energy: -251.344
Dist. restrs. and SS energy: 13.323 (S_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: 241
Temperature: 0.950000
Total energy: -2707.964048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.964048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.700317 (E_RNA)
where:
Base-Base interactions energy: -1919.890
where: short stacking energy: -791.809
Base-Backbone interact. energy: 1.767
local terms energy: -796.576864
where:
bonds (distance) C4'-P energy: -135.972
bonds (distance) P-C4' energy: -144.878
flat angles C4'-P-C4' energy: -164.256
flat angles P-C4'-P energy: -103.138
tors. eta vs tors. theta energy: -248.332
Dist. restrs. and SS energy: 6.736 (S_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: 241
Temperature: 1.000000
Total energy: -2642.325527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.325527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.089756 (E_RNA)
where:
Base-Base interactions energy: -1919.352
where: short stacking energy: -791.445
Base-Backbone interact. energy: 0.451
local terms energy: -727.189149
where:
bonds (distance) C4'-P energy: -123.259
bonds (distance) P-C4' energy: -107.836
flat angles C4'-P-C4' energy: -148.445
flat angles P-C4'-P energy: -109.478
tors. eta vs tors. theta energy: -238.171
Dist. restrs. and SS energy: 3.764 (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: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2591.780946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.780946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.585364 (E_RNA)
where:
Base-Base interactions energy: -1864.027
where: short stacking energy: -763.140
Base-Backbone interact. energy: -0.545
local terms energy: -738.013992
where:
bonds (distance) C4'-P energy: -129.564
bonds (distance) P-C4' energy: -110.197
flat angles C4'-P-C4' energy: -151.944
flat angles P-C4'-P energy: -108.893
tors. eta vs tors. theta energy: -237.416
Dist. restrs. and SS energy: 10.804 (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: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2456.963903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.963903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.730672 (E_RNA)
where:
Base-Base interactions energy: -1745.152
where: short stacking energy: -703.711
Base-Backbone interact. energy: -0.220
local terms energy: -716.358166
where:
bonds (distance) C4'-P energy: -131.307
bonds (distance) P-C4' energy: -124.215
flat angles C4'-P-C4' energy: -150.866
flat angles P-C4'-P energy: -97.421
tors. eta vs tors. theta energy: -212.548
Dist. restrs. and SS energy: 4.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2403.010522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.010522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.213470 (E_RNA)
where:
Base-Base interactions energy: -1716.624
where: short stacking energy: -683.910
Base-Backbone interact. energy: -1.881
local terms energy: -693.708206
where:
bonds (distance) C4'-P energy: -125.938
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -139.917
flat angles P-C4'-P energy: -92.560
tors. eta vs tors. theta energy: -213.432
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: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2325.244959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.244959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.683022 (E_RNA)
where:
Base-Base interactions energy: -1649.516
where: short stacking energy: -676.402
Base-Backbone interact. energy: -0.039
local terms energy: -686.128814
where:
bonds (distance) C4'-P energy: -117.462
bonds (distance) P-C4' energy: -124.040
flat angles C4'-P-C4' energy: -130.524
flat angles P-C4'-P energy: -94.308
tors. eta vs tors. theta energy: -219.795
Dist. restrs. and SS energy: 10.438 (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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2146.449213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.449213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.799748 (E_RNA)
where:
Base-Base interactions energy: -1516.803
where: short stacking energy: -611.088
Base-Backbone interact. energy: -2.628
local terms energy: -637.369019
where:
bonds (distance) C4'-P energy: -133.789
bonds (distance) P-C4' energy: -97.572
flat angles C4'-P-C4' energy: -144.257
flat angles P-C4'-P energy: -82.911
tors. eta vs tors. theta energy: -178.839
Dist. restrs. and SS energy: 10.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -2087.417491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.417491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.927849 (E_RNA)
where:
Base-Base interactions energy: -1485.236
where: short stacking energy: -612.015
Base-Backbone interact. energy: -0.715
local terms energy: -627.976441
where:
bonds (distance) C4'-P energy: -104.501
bonds (distance) P-C4' energy: -109.047
flat angles C4'-P-C4' energy: -138.777
flat angles P-C4'-P energy: -88.692
tors. eta vs tors. theta energy: -186.960
Dist. restrs. and SS energy: 26.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1954.639775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.639775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.884115 (E_RNA)
where:
Base-Base interactions energy: -1401.183
where: short stacking energy: -552.284
Base-Backbone interact. energy: 1.620
local terms energy: -577.320736
where:
bonds (distance) C4'-P energy: -105.724
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -128.547
flat angles P-C4'-P energy: -61.490
tors. eta vs tors. theta energy: -163.756
Dist. restrs. and SS energy: 22.244 (S_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: 242
Temperature: 0.900000
Total energy: -2758.828483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.828483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.403654 (E_RNA)
where:
Base-Base interactions energy: -1944.801
where: short stacking energy: -821.482
Base-Backbone interact. energy: 0.694
local terms energy: -822.297041
where:
bonds (distance) C4'-P energy: -147.240
bonds (distance) P-C4' energy: -138.143
flat angles C4'-P-C4' energy: -171.982
flat angles P-C4'-P energy: -115.399
tors. eta vs tors. theta energy: -249.533
Dist. restrs. and SS energy: 7.575 (S_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: 242
Temperature: 0.950000
Total energy: -2696.050125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.050125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.956527 (E_RNA)
where:
Base-Base interactions energy: -1912.784
where: short stacking energy: -786.563
Base-Backbone interact. energy: -0.650
local terms energy: -796.523140
where:
bonds (distance) C4'-P energy: -149.372
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -165.850
flat angles P-C4'-P energy: -98.354
tors. eta vs tors. theta energy: -239.052
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: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2635.187807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.187807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.182674 (E_RNA)
where:
Base-Base interactions energy: -1880.403
where: short stacking energy: -749.806
Base-Backbone interact. energy: -0.850
local terms energy: -757.929011
where:
bonds (distance) C4'-P energy: -128.633
bonds (distance) P-C4' energy: -136.693
flat angles C4'-P-C4' energy: -142.753
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -242.174
Dist. restrs. and SS energy: 3.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2557.242413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.242413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.404212 (E_RNA)
where:
Base-Base interactions energy: -1823.454
where: short stacking energy: -750.607
Base-Backbone interact. energy: 0.107
local terms energy: -744.057058
where:
bonds (distance) C4'-P energy: -111.563
bonds (distance) P-C4' energy: -136.161
flat angles C4'-P-C4' energy: -158.667
flat angles P-C4'-P energy: -105.339
tors. eta vs tors. theta energy: -232.328
Dist. restrs. and SS energy: 10.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2455.587485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.587485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.512244 (E_RNA)
where:
Base-Base interactions energy: -1744.288
where: short stacking energy: -745.296
Base-Backbone interact. energy: -3.971
local terms energy: -712.253802
where:
bonds (distance) C4'-P energy: -113.624
bonds (distance) P-C4' energy: -124.081
flat angles C4'-P-C4' energy: -141.386
flat angles P-C4'-P energy: -104.973
tors. eta vs tors. theta energy: -228.190
Dist. restrs. and SS energy: 4.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2389.691211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.691211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.510062 (E_RNA)
where:
Base-Base interactions energy: -1727.987
where: short stacking energy: -681.294
Base-Backbone interact. energy: -2.747
local terms energy: -667.775960
where:
bonds (distance) C4'-P energy: -117.066
bonds (distance) P-C4' energy: -111.520
flat angles C4'-P-C4' energy: -134.665
flat angles P-C4'-P energy: -101.394
tors. eta vs tors. theta energy: -203.130
Dist. restrs. and SS energy: 8.819 (S_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: 242
Temperature: 1.200000
Total energy: -2296.397253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.397253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.400518 (E_RNA)
where:
Base-Base interactions energy: -1621.362
where: short stacking energy: -651.513
Base-Backbone interact. energy: -1.091
local terms energy: -681.947053
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -128.710
flat angles C4'-P-C4' energy: -142.811
flat angles P-C4'-P energy: -77.125
tors. eta vs tors. theta energy: -208.630
Dist. restrs. and SS energy: 8.003 (S_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: 242
Temperature: 1.250000
Total energy: -2141.096893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.096893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.141307 (E_RNA)
where:
Base-Base interactions energy: -1529.710
where: short stacking energy: -624.819
Base-Backbone interact. energy: -0.579
local terms energy: -623.851419
where:
bonds (distance) C4'-P energy: -114.914
bonds (distance) P-C4' energy: -107.805
flat angles C4'-P-C4' energy: -131.127
flat angles P-C4'-P energy: -82.890
tors. eta vs tors. theta energy: -187.115
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -2043.592706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.592706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.156707 (E_RNA)
where:
Base-Base interactions energy: -1453.773
where: short stacking energy: -573.743
Base-Backbone interact. energy: -2.216
local terms energy: -620.167669
where:
bonds (distance) C4'-P energy: -92.581
bonds (distance) P-C4' energy: -121.588
flat angles C4'-P-C4' energy: -123.584
flat angles P-C4'-P energy: -100.856
tors. eta vs tors. theta energy: -181.558
Dist. restrs. and SS energy: 32.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1918.369724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.369724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.827537 (E_RNA)
where:
Base-Base interactions energy: -1372.650
where: short stacking energy: -545.033
Base-Backbone interact. energy: 1.648
local terms energy: -570.825946
where:
bonds (distance) C4'-P energy: -123.981
bonds (distance) P-C4' energy: -116.873
flat angles C4'-P-C4' energy: -122.190
flat angles P-C4'-P energy: -65.715
tors. eta vs tors. theta energy: -142.067
Dist. restrs. and SS energy: 23.458 (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: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2757.332951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.332951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.367217 (E_RNA)
where:
Base-Base interactions energy: -1954.930
where: short stacking energy: -788.199
Base-Backbone interact. energy: -2.073
local terms energy: -806.363958
where:
bonds (distance) C4'-P energy: -132.460
bonds (distance) P-C4' energy: -141.050
flat angles C4'-P-C4' energy: -172.878
flat angles P-C4'-P energy: -114.126
tors. eta vs tors. theta energy: -245.851
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: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2727.265373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.265373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.558367 (E_RNA)
where:
Base-Base interactions energy: -1930.919
where: short stacking energy: -796.335
Base-Backbone interact. energy: -0.651
local terms energy: -807.988446
where:
bonds (distance) C4'-P energy: -136.765
bonds (distance) P-C4' energy: -155.342
flat angles C4'-P-C4' energy: -162.728
flat angles P-C4'-P energy: -116.127
tors. eta vs tors. theta energy: -237.026
Dist. restrs. and SS energy: 12.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2639.604421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.604421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.891925 (E_RNA)
where:
Base-Base interactions energy: -1862.501
where: short stacking energy: -760.109
Base-Backbone interact. energy: -2.623
local terms energy: -778.768213
where:
bonds (distance) C4'-P energy: -133.635
bonds (distance) P-C4' energy: -129.815
flat angles C4'-P-C4' energy: -150.091
flat angles P-C4'-P energy: -124.306
tors. eta vs tors. theta energy: -240.921
Dist. restrs. and SS energy: 4.288 (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: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2566.534018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.534018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.092982 (E_RNA)
where:
Base-Base interactions energy: -1812.595
where: short stacking energy: -751.422
Base-Backbone interact. energy: -1.911
local terms energy: -762.587677
where:
bonds (distance) C4'-P energy: -143.224
bonds (distance) P-C4' energy: -129.781
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -97.201
tors. eta vs tors. theta energy: -237.522
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: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2495.650964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.650964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.760962 (E_RNA)
where:
Base-Base interactions energy: -1785.666
where: short stacking energy: -744.836
Base-Backbone interact. energy: -2.776
local terms energy: -711.319083
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -132.560
flat angles C4'-P-C4' energy: -158.203
flat angles P-C4'-P energy: -87.693
tors. eta vs tors. theta energy: -227.200
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2396.456077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.456077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.367913 (E_RNA)
where:
Base-Base interactions energy: -1718.755
where: short stacking energy: -697.833
Base-Backbone interact. energy: 3.448
local terms energy: -692.061191
where:
bonds (distance) C4'-P energy: -118.440
bonds (distance) P-C4' energy: -124.916
flat angles C4'-P-C4' energy: -150.121
flat angles P-C4'-P energy: -85.801
tors. eta vs tors. theta energy: -212.783
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: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2315.501556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.501556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.922543 (E_RNA)
where:
Base-Base interactions energy: -1652.346
where: short stacking energy: -665.763
Base-Backbone interact. energy: 0.114
local terms energy: -673.690469
where:
bonds (distance) C4'-P energy: -130.878
bonds (distance) P-C4' energy: -100.481
flat angles C4'-P-C4' energy: -142.640
flat angles P-C4'-P energy: -93.462
tors. eta vs tors. theta energy: -206.230
Dist. restrs. and SS energy: 10.421 (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: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2137.849206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.849206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.152439 (E_RNA)
where:
Base-Base interactions energy: -1520.430
where: short stacking energy: -603.821
Base-Backbone interact. energy: -1.237
local terms energy: -631.484845
where:
bonds (distance) C4'-P energy: -112.143
bonds (distance) P-C4' energy: -114.358
flat angles C4'-P-C4' energy: -131.543
flat angles P-C4'-P energy: -81.374
tors. eta vs tors. theta energy: -192.068
Dist. restrs. and SS energy: 15.303 (S_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: 243
Temperature: 1.300000
Total energy: -2070.343076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.343076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.136713 (E_RNA)
where:
Base-Base interactions energy: -1512.818
where: short stacking energy: -600.923
Base-Backbone interact. energy: -2.594
local terms energy: -576.724412
where:
bonds (distance) C4'-P energy: -92.781
bonds (distance) P-C4' energy: -104.895
flat angles C4'-P-C4' energy: -125.333
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -181.572
Dist. restrs. and SS energy: 21.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1923.605990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.605990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.668371 (E_RNA)
where:
Base-Base interactions energy: -1396.036
where: short stacking energy: -551.553
Base-Backbone interact. energy: 3.026
local terms energy: -556.658740
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -106.760
flat angles C4'-P-C4' energy: -128.933
flat angles P-C4'-P energy: -74.263
tors. eta vs tors. theta energy: -149.831
Dist. restrs. and SS energy: 26.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2769.035723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.035723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.288135 (E_RNA)
where:
Base-Base interactions energy: -1964.657
where: short stacking energy: -820.449
Base-Backbone interact. energy: 2.733
local terms energy: -819.364098
where:
bonds (distance) C4'-P energy: -126.693
bonds (distance) P-C4' energy: -147.497
flat angles C4'-P-C4' energy: -174.059
flat angles P-C4'-P energy: -117.880
tors. eta vs tors. theta energy: -253.235
Dist. restrs. and SS energy: 12.252 (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: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2711.826871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.826871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.045888 (E_RNA)
where:
Base-Base interactions energy: -1932.768
where: short stacking energy: -778.882
Base-Backbone interact. energy: -5.574
local terms energy: -779.704221
where:
bonds (distance) C4'-P energy: -144.742
bonds (distance) P-C4' energy: -135.408
flat angles C4'-P-C4' energy: -162.587
flat angles P-C4'-P energy: -93.902
tors. eta vs tors. theta energy: -243.065
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: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2603.502850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.502850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.082348 (E_RNA)
where:
Base-Base interactions energy: -1862.283
where: short stacking energy: -761.190
Base-Backbone interact. energy: -2.270
local terms energy: -742.529206
where:
bonds (distance) C4'-P energy: -121.220
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -161.246
flat angles P-C4'-P energy: -113.309
tors. eta vs tors. theta energy: -226.543
Dist. restrs. and SS energy: 3.579 (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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2567.004549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.004549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.037156 (E_RNA)
where:
Base-Base interactions energy: -1816.959
where: short stacking energy: -737.084
Base-Backbone interact. energy: -2.670
local terms energy: -755.408148
where:
bonds (distance) C4'-P energy: -132.396
bonds (distance) P-C4' energy: -125.513
flat angles C4'-P-C4' energy: -156.251
flat angles P-C4'-P energy: -107.889
tors. eta vs tors. theta energy: -233.360
Dist. restrs. and SS energy: 8.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2481.597101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.597101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.520562 (E_RNA)
where:
Base-Base interactions energy: -1741.251
where: short stacking energy: -705.368
Base-Backbone interact. energy: -1.182
local terms energy: -743.087650
where:
bonds (distance) C4'-P energy: -142.422
bonds (distance) P-C4' energy: -130.368
flat angles C4'-P-C4' energy: -142.189
flat angles P-C4'-P energy: -92.860
tors. eta vs tors. theta energy: -235.248
Dist. restrs. and SS energy: 3.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2396.579862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.579862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.680271 (E_RNA)
where:
Base-Base interactions energy: -1731.655
where: short stacking energy: -696.767
Base-Backbone interact. energy: -2.628
local terms energy: -666.397455
where:
bonds (distance) C4'-P energy: -116.886
bonds (distance) P-C4' energy: -95.819
flat angles C4'-P-C4' energy: -149.850
flat angles P-C4'-P energy: -90.778
tors. eta vs tors. theta energy: -213.065
Dist. restrs. and SS energy: 4.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2225.660080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.660080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.425197 (E_RNA)
where:
Base-Base interactions energy: -1608.039
where: short stacking energy: -649.305
Base-Backbone interact. energy: -2.742
local terms energy: -621.644035
where:
bonds (distance) C4'-P energy: -113.476
bonds (distance) P-C4' energy: -102.668
flat angles C4'-P-C4' energy: -139.140
flat angles P-C4'-P energy: -91.404
tors. eta vs tors. theta energy: -174.956
Dist. restrs. and SS energy: 6.765 (S_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: 244
Temperature: 1.250000
Total energy: -2152.333170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.333170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.384468 (E_RNA)
where:
Base-Base interactions energy: -1554.376
where: short stacking energy: -640.470
Base-Backbone interact. energy: -0.910
local terms energy: -617.097748
where:
bonds (distance) C4'-P energy: -90.040
bonds (distance) P-C4' energy: -129.560
flat angles C4'-P-C4' energy: -124.941
flat angles P-C4'-P energy: -87.176
tors. eta vs tors. theta energy: -185.380
Dist. restrs. and SS energy: 20.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1988.981630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.981630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.437243 (E_RNA)
where:
Base-Base interactions energy: -1423.213
where: short stacking energy: -583.612
Base-Backbone interact. energy: -0.455
local terms energy: -602.769247
where:
bonds (distance) C4'-P energy: -111.645
bonds (distance) P-C4' energy: -116.933
flat angles C4'-P-C4' energy: -116.596
flat angles P-C4'-P energy: -79.167
tors. eta vs tors. theta energy: -178.429
Dist. restrs. and SS energy: 37.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1896.199120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.199120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.007464 (E_RNA)
where:
Base-Base interactions energy: -1359.581
where: short stacking energy: -528.852
Base-Backbone interact. energy: -1.688
local terms energy: -553.738274
where:
bonds (distance) C4'-P energy: -93.517
bonds (distance) P-C4' energy: -119.457
flat angles C4'-P-C4' energy: -128.814
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: -144.652
Dist. restrs. and SS energy: 18.808 (S_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: 245
Temperature: 0.900000
Total energy: -2757.868121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.868121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.765153 (E_RNA)
where:
Base-Base interactions energy: -1943.178
where: short stacking energy: -797.354
Base-Backbone interact. energy: -4.042
local terms energy: -821.544588
where:
bonds (distance) C4'-P energy: -135.634
bonds (distance) P-C4' energy: -147.811
flat angles C4'-P-C4' energy: -164.148
flat angles P-C4'-P energy: -121.587
tors. eta vs tors. theta energy: -252.364
Dist. restrs. and SS energy: 10.897 (S_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: 245
Temperature: 0.950000
Total energy: -2713.036234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.036234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.236475 (E_RNA)
where:
Base-Base interactions energy: -1927.126
where: short stacking energy: -765.904
Base-Backbone interact. energy: -1.088
local terms energy: -791.022597
where:
bonds (distance) C4'-P energy: -140.217
bonds (distance) P-C4' energy: -140.510
flat angles C4'-P-C4' energy: -160.841
flat angles P-C4'-P energy: -102.982
tors. eta vs tors. theta energy: -246.473
Dist. restrs. and SS energy: 6.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2625.406705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.406705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.570999 (E_RNA)
where:
Base-Base interactions energy: -1854.818
where: short stacking energy: -762.204
Base-Backbone interact. energy: -2.751
local terms energy: -772.002229
where:
bonds (distance) C4'-P energy: -141.069
bonds (distance) P-C4' energy: -117.125
flat angles C4'-P-C4' energy: -167.542
flat angles P-C4'-P energy: -111.000
tors. eta vs tors. theta energy: -235.267
Dist. restrs. and SS energy: 4.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2535.229699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.229699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.841028 (E_RNA)
where:
Base-Base interactions energy: -1794.330
where: short stacking energy: -726.487
Base-Backbone interact. energy: -5.782
local terms energy: -739.729041
where:
bonds (distance) C4'-P energy: -137.842
bonds (distance) P-C4' energy: -132.469
flat angles C4'-P-C4' energy: -152.057
flat angles P-C4'-P energy: -93.316
tors. eta vs tors. theta energy: -224.045
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: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2519.475861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.475861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.241152 (E_RNA)
where:
Base-Base interactions energy: -1781.467
where: short stacking energy: -735.762
Base-Backbone interact. energy: -3.683
local terms energy: -746.091108
where:
bonds (distance) C4'-P energy: -96.135
bonds (distance) P-C4' energy: -138.780
flat angles C4'-P-C4' energy: -170.621
flat angles P-C4'-P energy: -104.292
tors. eta vs tors. theta energy: -236.264
Dist. restrs. and SS energy: 11.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2387.093586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.093586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.482873 (E_RNA)
where:
Base-Base interactions energy: -1699.828
where: short stacking energy: -674.430
Base-Backbone interact. energy: -2.766
local terms energy: -691.889513
where:
bonds (distance) C4'-P energy: -111.898
bonds (distance) P-C4' energy: -136.763
flat angles C4'-P-C4' energy: -151.188
flat angles P-C4'-P energy: -95.081
tors. eta vs tors. theta energy: -196.960
Dist. restrs. and SS energy: 7.389 (S_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: 245
Temperature: 1.200000
Total energy: -2257.705123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.705123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.154582 (E_RNA)
where:
Base-Base interactions energy: -1618.677
where: short stacking energy: -642.171
Base-Backbone interact. energy: -1.829
local terms energy: -648.648161
where:
bonds (distance) C4'-P energy: -112.572
bonds (distance) P-C4' energy: -110.379
flat angles C4'-P-C4' energy: -142.404
flat angles P-C4'-P energy: -82.712
tors. eta vs tors. theta energy: -200.582
Dist. restrs. and SS energy: 11.449 (S_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: 245
Temperature: 1.250000
Total energy: -2161.174531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.174531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.438488 (E_RNA)
where:
Base-Base interactions energy: -1530.667
where: short stacking energy: -618.659
Base-Backbone interact. energy: -2.096
local terms energy: -644.675568
where:
bonds (distance) C4'-P energy: -109.862
bonds (distance) P-C4' energy: -113.207
flat angles C4'-P-C4' energy: -138.746
flat angles P-C4'-P energy: -95.776
tors. eta vs tors. theta energy: -187.084
Dist. restrs. and SS energy: 16.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -2029.440721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.440721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.454883 (E_RNA)
where:
Base-Base interactions energy: -1452.445
where: short stacking energy: -568.346
Base-Backbone interact. energy: -1.839
local terms energy: -605.170957
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -121.091
flat angles C4'-P-C4' energy: -135.577
flat angles P-C4'-P energy: -72.135
tors. eta vs tors. theta energy: -171.437
Dist. restrs. and SS energy: 30.014 (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: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1912.325478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.325478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.129944 (E_RNA)
where:
Base-Base interactions energy: -1366.836
where: short stacking energy: -555.595
Base-Backbone interact. energy: -1.545
local terms energy: -562.749033
where:
bonds (distance) C4'-P energy: -91.161
bonds (distance) P-C4' energy: -107.599
flat angles C4'-P-C4' energy: -113.064
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -165.555
Dist. restrs. and SS energy: 18.804 (S_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: 246
Temperature: 0.900000
Total energy: -2765.803143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.803143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.945628 (E_RNA)
where:
Base-Base interactions energy: -1962.393
where: short stacking energy: -809.387
Base-Backbone interact. energy: -0.960
local terms energy: -812.591993
where:
bonds (distance) C4'-P energy: -144.425
bonds (distance) P-C4' energy: -140.676
flat angles C4'-P-C4' energy: -167.599
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -252.295
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: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2716.127521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.127521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.621194 (E_RNA)
where:
Base-Base interactions energy: -1918.806
where: short stacking energy: -775.868
Base-Backbone interact. energy: -2.730
local terms energy: -800.085336
where:
bonds (distance) C4'-P energy: -146.536
bonds (distance) P-C4' energy: -134.045
flat angles C4'-P-C4' energy: -160.484
flat angles P-C4'-P energy: -112.592
tors. eta vs tors. theta energy: -246.428
Dist. restrs. and SS energy: 5.494 (S_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: 246
Temperature: 1.000000
Total energy: -2646.244087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.244087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.354032 (E_RNA)
where:
Base-Base interactions energy: -1874.779
where: short stacking energy: -766.390
Base-Backbone interact. energy: 0.356
local terms energy: -775.930207
where:
bonds (distance) C4'-P energy: -123.220
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -163.763
flat angles P-C4'-P energy: -127.401
tors. eta vs tors. theta energy: -234.979
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2557.777439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.777439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.192978 (E_RNA)
where:
Base-Base interactions energy: -1839.788
where: short stacking energy: -729.489
Base-Backbone interact. energy: -2.912
local terms energy: -717.492254
where:
bonds (distance) C4'-P energy: -122.996
bonds (distance) P-C4' energy: -144.373
flat angles C4'-P-C4' energy: -142.984
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -221.168
Dist. restrs. and SS energy: 2.416 (S_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: 246
Temperature: 1.100000
Total energy: -2530.983064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.983064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.780745 (E_RNA)
where:
Base-Base interactions energy: -1800.869
where: short stacking energy: -746.783
Base-Backbone interact. energy: 1.094
local terms energy: -743.005678
where:
bonds (distance) C4'-P energy: -129.993
bonds (distance) P-C4' energy: -124.714
flat angles C4'-P-C4' energy: -148.101
flat angles P-C4'-P energy: -94.379
tors. eta vs tors. theta energy: -245.819
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2400.170987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.170987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.837707 (E_RNA)
where:
Base-Base interactions energy: -1689.467
where: short stacking energy: -673.691
Base-Backbone interact. energy: 3.266
local terms energy: -721.637051
where:
bonds (distance) C4'-P energy: -132.748
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -148.707
flat angles P-C4'-P energy: -100.836
tors. eta vs tors. theta energy: -213.711
Dist. restrs. and SS energy: 7.667 (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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2279.545616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.545616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.442805 (E_RNA)
where:
Base-Base interactions energy: -1616.303
where: short stacking energy: -634.068
Base-Backbone interact. energy: 2.291
local terms energy: -674.431128
where:
bonds (distance) C4'-P energy: -107.644
bonds (distance) P-C4' energy: -134.203
flat angles C4'-P-C4' energy: -133.289
flat angles P-C4'-P energy: -95.430
tors. eta vs tors. theta energy: -203.865
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: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2165.725883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.725883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.757571 (E_RNA)
where:
Base-Base interactions energy: -1571.562
where: short stacking energy: -636.079
Base-Backbone interact. energy: 2.348
local terms energy: -613.542873
where:
bonds (distance) C4'-P energy: -94.847
bonds (distance) P-C4' energy: -130.893
flat angles C4'-P-C4' energy: -116.867
flat angles P-C4'-P energy: -85.270
tors. eta vs tors. theta energy: -185.665
Dist. restrs. and SS energy: 17.032 (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: 246
Temperature: 1.300000
Total energy: -2041.459460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.459460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.782250 (E_RNA)
where:
Base-Base interactions energy: -1430.126
where: short stacking energy: -588.062
Base-Backbone interact. energy: -0.195
local terms energy: -634.461915
where:
bonds (distance) C4'-P energy: -104.337
bonds (distance) P-C4' energy: -116.577
flat angles C4'-P-C4' energy: -134.530
flat angles P-C4'-P energy: -95.172
tors. eta vs tors. theta energy: -183.846
Dist. restrs. and SS energy: 23.323 (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: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1882.551626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.037986 (E_RNA)
where:
Base-Base interactions energy: -1346.584
where: short stacking energy: -521.453
Base-Backbone interact. energy: 1.714
local terms energy: -557.168501
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -116.516
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -79.998
tors. eta vs tors. theta energy: -149.945
Dist. restrs. and SS energy: 19.486 (S_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: 247
Temperature: 0.900000
Total energy: -2759.105785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.105785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.099033 (E_RNA)
where:
Base-Base interactions energy: -1954.858
where: short stacking energy: -817.882
Base-Backbone interact. energy: -1.498
local terms energy: -813.742957
where:
bonds (distance) C4'-P energy: -141.766
bonds (distance) P-C4' energy: -138.631
flat angles C4'-P-C4' energy: -163.492
flat angles P-C4'-P energy: -117.802
tors. eta vs tors. theta energy: -252.051
Dist. restrs. and SS energy: 10.993 (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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2703.848807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.848807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.433454 (E_RNA)
where:
Base-Base interactions energy: -1928.572
where: short stacking energy: -778.114
Base-Backbone interact. energy: -1.691
local terms energy: -780.170233
where:
bonds (distance) C4'-P energy: -124.186
bonds (distance) P-C4' energy: -123.822
flat angles C4'-P-C4' energy: -169.466
flat angles P-C4'-P energy: -116.607
tors. eta vs tors. theta energy: -246.089
Dist. restrs. and SS energy: 6.585 (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: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2639.041083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.987639 (E_RNA)
where:
Base-Base interactions energy: -1866.218
where: short stacking energy: -742.879
Base-Backbone interact. energy: -1.873
local terms energy: -774.897277
where:
bonds (distance) C4'-P energy: -143.699
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -149.197
flat angles P-C4'-P energy: -117.400
tors. eta vs tors. theta energy: -232.993
Dist. restrs. and SS energy: 3.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2544.180103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.180103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.521643 (E_RNA)
where:
Base-Base interactions energy: -1795.638
where: short stacking energy: -727.837
Base-Backbone interact. energy: -1.805
local terms energy: -759.078978
where:
bonds (distance) C4'-P energy: -140.407
bonds (distance) P-C4' energy: -131.518
flat angles C4'-P-C4' energy: -149.803
flat angles P-C4'-P energy: -108.261
tors. eta vs tors. theta energy: -229.090
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: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2510.277607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.277607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.603298 (E_RNA)
where:
Base-Base interactions energy: -1783.691
where: short stacking energy: -735.433
Base-Backbone interact. energy: -1.497
local terms energy: -728.415093
where:
bonds (distance) C4'-P energy: -117.373
bonds (distance) P-C4' energy: -127.900
flat angles C4'-P-C4' energy: -152.932
flat angles P-C4'-P energy: -101.272
tors. eta vs tors. theta energy: -228.938
Dist. restrs. and SS energy: 3.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2433.353895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.353895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.079378 (E_RNA)
where:
Base-Base interactions energy: -1767.088
where: short stacking energy: -691.551
Base-Backbone interact. energy: 3.671
local terms energy: -676.661971
where:
bonds (distance) C4'-P energy: -105.572
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -149.819
flat angles P-C4'-P energy: -89.183
tors. eta vs tors. theta energy: -207.157
Dist. restrs. and SS energy: 6.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2285.206762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.206762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.781027 (E_RNA)
where:
Base-Base interactions energy: -1647.677
where: short stacking energy: -667.842
Base-Backbone interact. energy: -5.117
local terms energy: -641.986930
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -122.610
flat angles C4'-P-C4' energy: -134.051
flat angles P-C4'-P energy: -90.128
tors. eta vs tors. theta energy: -202.356
Dist. restrs. and SS energy: 9.574 (S_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: 247
Temperature: 1.250000
Total energy: -2136.306561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.306561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.089984 (E_RNA)
where:
Base-Base interactions energy: -1517.982
where: short stacking energy: -627.624
Base-Backbone interact. energy: 1.576
local terms energy: -640.684197
where:
bonds (distance) C4'-P energy: -77.814
bonds (distance) P-C4' energy: -122.846
flat angles C4'-P-C4' energy: -150.639
flat angles P-C4'-P energy: -90.848
tors. eta vs tors. theta energy: -198.537
Dist. restrs. and SS energy: 20.783 (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: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -2033.375282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.375282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.824922 (E_RNA)
where:
Base-Base interactions energy: -1456.781
where: short stacking energy: -581.295
Base-Backbone interact. energy: 4.016
local terms energy: -602.060146
where:
bonds (distance) C4'-P energy: -105.568
bonds (distance) P-C4' energy: -101.275
flat angles C4'-P-C4' energy: -133.531
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -178.037
Dist. restrs. and SS energy: 21.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1865.674128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.674128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.336276 (E_RNA)
where:
Base-Base interactions energy: -1337.316
where: short stacking energy: -517.757
Base-Backbone interact. energy: -0.994
local terms energy: -558.025394
where:
bonds (distance) C4'-P energy: -107.261
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -114.714
flat angles P-C4'-P energy: -70.081
tors. eta vs tors. theta energy: -149.364
Dist. restrs. and SS energy: 30.662 (S_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: 248
Temperature: 0.900000
Total energy: -2735.080839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.080839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.946352 (E_RNA)
where:
Base-Base interactions energy: -1931.253
where: short stacking energy: -805.221
Base-Backbone interact. energy: -2.618
local terms energy: -812.075829
where:
bonds (distance) C4'-P energy: -136.367
bonds (distance) P-C4' energy: -149.470
flat angles C4'-P-C4' energy: -155.468
flat angles P-C4'-P energy: -123.115
tors. eta vs tors. theta energy: -247.657
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: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2716.761545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.761545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.062185 (E_RNA)
where:
Base-Base interactions energy: -1911.408
where: short stacking energy: -787.601
Base-Backbone interact. energy: -2.994
local terms energy: -808.660412
where:
bonds (distance) C4'-P energy: -130.903
bonds (distance) P-C4' energy: -145.594
flat angles C4'-P-C4' energy: -163.871
flat angles P-C4'-P energy: -118.905
tors. eta vs tors. theta energy: -249.387
Dist. restrs. and SS energy: 6.301 (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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2620.916123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.916123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.785332 (E_RNA)
where:
Base-Base interactions energy: -1877.774
where: short stacking energy: -766.799
Base-Backbone interact. energy: -2.277
local terms energy: -746.733922
where:
bonds (distance) C4'-P energy: -114.317
bonds (distance) P-C4' energy: -122.101
flat angles C4'-P-C4' energy: -151.192
flat angles P-C4'-P energy: -119.385
tors. eta vs tors. theta energy: -239.737
Dist. restrs. and SS energy: 5.869 (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: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2550.120234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.120234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.159512 (E_RNA)
where:
Base-Base interactions energy: -1838.279
where: short stacking energy: -764.416
Base-Backbone interact. energy: 1.198
local terms energy: -726.078906
where:
bonds (distance) C4'-P energy: -119.319
bonds (distance) P-C4' energy: -116.809
flat angles C4'-P-C4' energy: -152.374
flat angles P-C4'-P energy: -107.448
tors. eta vs tors. theta energy: -230.129
Dist. restrs. and SS energy: 13.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2500.759659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.759659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.059444 (E_RNA)
where:
Base-Base interactions energy: -1775.847
where: short stacking energy: -738.517
Base-Backbone interact. energy: -2.277
local terms energy: -731.935949
where:
bonds (distance) C4'-P energy: -137.974
bonds (distance) P-C4' energy: -120.766
flat angles C4'-P-C4' energy: -153.989
flat angles P-C4'-P energy: -103.940
tors. eta vs tors. theta energy: -215.266
Dist. restrs. and SS energy: 9.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2431.202575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.202575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.674989 (E_RNA)
where:
Base-Base interactions energy: -1737.298
where: short stacking energy: -713.679
Base-Backbone interact. energy: -3.247
local terms energy: -698.130057
where:
bonds (distance) C4'-P energy: -104.871
bonds (distance) P-C4' energy: -118.875
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -103.354
tors. eta vs tors. theta energy: -218.364
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: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2335.333230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.333230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.184273 (E_RNA)
where:
Base-Base interactions energy: -1681.835
where: short stacking energy: -678.337
Base-Backbone interact. energy: -3.116
local terms energy: -657.233615
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -111.276
flat angles C4'-P-C4' energy: -154.132
flat angles P-C4'-P energy: -83.157
tors. eta vs tors. theta energy: -209.233
Dist. restrs. and SS energy: 6.851 (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: 248
Temperature: 1.250000
Total energy: -2140.424333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.424333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.471996 (E_RNA)
where:
Base-Base interactions energy: -1546.454
where: short stacking energy: -634.062
Base-Backbone interact. energy: -0.924
local terms energy: -611.093569
where:
bonds (distance) C4'-P energy: -112.032
bonds (distance) P-C4' energy: -96.755
flat angles C4'-P-C4' energy: -131.611
flat angles P-C4'-P energy: -79.290
tors. eta vs tors. theta energy: -191.405
Dist. restrs. and SS energy: 18.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -2058.519386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.519386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.336607 (E_RNA)
where:
Base-Base interactions energy: -1486.069
where: short stacking energy: -598.164
Base-Backbone interact. energy: -1.079
local terms energy: -596.188743
where:
bonds (distance) C4'-P energy: -90.507
bonds (distance) P-C4' energy: -116.652
flat angles C4'-P-C4' energy: -125.121
flat angles P-C4'-P energy: -78.345
tors. eta vs tors. theta energy: -185.564
Dist. restrs. and SS energy: 24.817 (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: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1787.608708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.608708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.479935 (E_RNA)
where:
Base-Base interactions energy: -1241.768
where: short stacking energy: -497.253
Base-Backbone interact. energy: -0.338
local terms energy: -566.374643
where:
bonds (distance) C4'-P energy: -102.459
bonds (distance) P-C4' energy: -112.913
flat angles C4'-P-C4' energy: -126.578
flat angles P-C4'-P energy: -74.063
tors. eta vs tors. theta energy: -150.361
Dist. restrs. and SS energy: 20.871 (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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2732.228855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.228855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.219729 (E_RNA)
where:
Base-Base interactions energy: -1937.341
where: short stacking energy: -805.582
Base-Backbone interact. energy: -4.513
local terms energy: -800.365855
where:
bonds (distance) C4'-P energy: -136.723
bonds (distance) P-C4' energy: -133.427
flat angles C4'-P-C4' energy: -158.831
flat angles P-C4'-P energy: -115.266
tors. eta vs tors. theta energy: -256.118
Dist. restrs. and SS energy: 9.991 (S_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: 249
Temperature: 0.950000
Total energy: -2728.372804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.372804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.640708 (E_RNA)
where:
Base-Base interactions energy: -1932.041
where: short stacking energy: -784.790
Base-Backbone interact. energy: -2.653
local terms energy: -800.946265
where:
bonds (distance) C4'-P energy: -137.796
bonds (distance) P-C4' energy: -132.001
flat angles C4'-P-C4' energy: -163.752
flat angles P-C4'-P energy: -120.240
tors. eta vs tors. theta energy: -247.159
Dist. restrs. and SS energy: 7.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2662.851933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.851933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.715828 (E_RNA)
where:
Base-Base interactions energy: -1865.963
where: short stacking energy: -774.709
Base-Backbone interact. energy: -3.204
local terms energy: -796.548091
where:
bonds (distance) C4'-P energy: -133.698
bonds (distance) P-C4' energy: -129.890
flat angles C4'-P-C4' energy: -171.269
flat angles P-C4'-P energy: -117.158
tors. eta vs tors. theta energy: -244.534
Dist. restrs. and SS energy: 2.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2504.070405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.070405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.134847 (E_RNA)
where:
Base-Base interactions energy: -1770.265
where: short stacking energy: -715.063
Base-Backbone interact. energy: 3.412
local terms energy: -742.281602
where:
bonds (distance) C4'-P energy: -113.251
bonds (distance) P-C4' energy: -141.560
flat angles C4'-P-C4' energy: -158.794
flat angles P-C4'-P energy: -105.731
tors. eta vs tors. theta energy: -222.945
Dist. restrs. and SS energy: 5.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2502.017943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.017943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.468177 (E_RNA)
where:
Base-Base interactions energy: -1770.485
where: short stacking energy: -718.662
Base-Backbone interact. energy: 1.354
local terms energy: -743.337021
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -132.731
flat angles C4'-P-C4' energy: -150.233
flat angles P-C4'-P energy: -106.033
tors. eta vs tors. theta energy: -233.186
Dist. restrs. and SS energy: 10.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2428.741906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.741906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.164705 (E_RNA)
where:
Base-Base interactions energy: -1722.487
where: short stacking energy: -711.013
Base-Backbone interact. energy: -3.626
local terms energy: -711.051621
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -125.034
flat angles C4'-P-C4' energy: -149.089
flat angles P-C4'-P energy: -101.343
tors. eta vs tors. theta energy: -217.005
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: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2341.198008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.198008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.380735 (E_RNA)
where:
Base-Base interactions energy: -1662.671
where: short stacking energy: -671.147
Base-Backbone interact. energy: -0.811
local terms energy: -688.898207
where:
bonds (distance) C4'-P energy: -118.078
bonds (distance) P-C4' energy: -117.270
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -84.562
tors. eta vs tors. theta energy: -212.819
Dist. restrs. and SS energy: 11.183 (S_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: 249
Temperature: 1.250000
Total energy: -2120.036392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.036392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.930039 (E_RNA)
where:
Base-Base interactions energy: -1525.511
where: short stacking energy: -612.611
Base-Backbone interact. energy: -3.963
local terms energy: -618.455638
where:
bonds (distance) C4'-P energy: -114.471
bonds (distance) P-C4' energy: -100.188
flat angles C4'-P-C4' energy: -137.613
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -188.631
Dist. restrs. and SS energy: 27.894 (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: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1979.793960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.793960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.693987 (E_RNA)
where:
Base-Base interactions energy: -1425.789
where: short stacking energy: -588.149
Base-Backbone interact. energy: -1.254
local terms energy: -571.650896
where:
bonds (distance) C4'-P energy: -93.401
bonds (distance) P-C4' energy: -114.596
flat angles C4'-P-C4' energy: -121.030
flat angles P-C4'-P energy: -75.775
tors. eta vs tors. theta energy: -166.849
Dist. restrs. and SS energy: 18.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1888.498489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.498489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.640061 (E_RNA)
where:
Base-Base interactions energy: -1372.191
where: short stacking energy: -541.410
Base-Backbone interact. energy: -0.685
local terms energy: -544.764165
where:
bonds (distance) C4'-P energy: -99.992
bonds (distance) P-C4' energy: -104.816
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -77.435
tors. eta vs tors. theta energy: -147.999
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: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2753.986896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.986896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.038728 (E_RNA)
where:
Base-Base interactions energy: -1938.008
where: short stacking energy: -811.634
Base-Backbone interact. energy: -4.968
local terms energy: -820.062500
where:
bonds (distance) C4'-P energy: -140.674
bonds (distance) P-C4' energy: -140.048
flat angles C4'-P-C4' energy: -170.520
flat angles P-C4'-P energy: -112.495
tors. eta vs tors. theta energy: -256.325
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: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2699.857844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.857844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.396532 (E_RNA)
where:
Base-Base interactions energy: -1907.068
where: short stacking energy: -762.319
Base-Backbone interact. energy: -1.045
local terms energy: -798.283577
where:
bonds (distance) C4'-P energy: -134.634
bonds (distance) P-C4' energy: -149.036
flat angles C4'-P-C4' energy: -154.151
flat angles P-C4'-P energy: -111.388
tors. eta vs tors. theta energy: -249.074
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2647.047127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.047127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.504465 (E_RNA)
where:
Base-Base interactions energy: -1864.500
where: short stacking energy: -779.465
Base-Backbone interact. energy: -0.765
local terms energy: -786.240301
where:
bonds (distance) C4'-P energy: -129.126
bonds (distance) P-C4' energy: -148.331
flat angles C4'-P-C4' energy: -170.625
flat angles P-C4'-P energy: -99.828
tors. eta vs tors. theta energy: -238.330
Dist. restrs. and SS energy: 4.457 (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: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2511.860424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.860424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.200190 (E_RNA)
where:
Base-Base interactions energy: -1769.109
where: short stacking energy: -713.544
Base-Backbone interact. energy: 0.265
local terms energy: -747.356723
where:
bonds (distance) C4'-P energy: -126.849
bonds (distance) P-C4' energy: -135.777
flat angles C4'-P-C4' energy: -154.655
flat angles P-C4'-P energy: -105.725
tors. eta vs tors. theta energy: -224.351
Dist. restrs. and SS energy: 4.340 (S_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: 250
Temperature: 1.100000
Total energy: -2450.582507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.582507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.560381 (E_RNA)
where:
Base-Base interactions energy: -1746.258
where: short stacking energy: -704.044
Base-Backbone interact. energy: -0.712
local terms energy: -716.591104
where:
bonds (distance) C4'-P energy: -135.991
bonds (distance) P-C4' energy: -122.336
flat angles C4'-P-C4' energy: -140.928
flat angles P-C4'-P energy: -95.290
tors. eta vs tors. theta energy: -222.046
Dist. restrs. and SS energy: 12.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2395.794456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.794456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.744002 (E_RNA)
where:
Base-Base interactions energy: -1721.476
where: short stacking energy: -688.778
Base-Backbone interact. energy: 1.056
local terms energy: -684.323127
where:
bonds (distance) C4'-P energy: -115.795
bonds (distance) P-C4' energy: -115.891
flat angles C4'-P-C4' energy: -142.678
flat angles P-C4'-P energy: -95.211
tors. eta vs tors. theta energy: -214.748
Dist. restrs. and SS energy: 8.950 (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: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2363.832796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.832796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.487896 (E_RNA)
where:
Base-Base interactions energy: -1671.575
where: short stacking energy: -672.083
Base-Backbone interact. energy: -3.488
local terms energy: -693.424841
where:
bonds (distance) C4'-P energy: -123.073
bonds (distance) P-C4' energy: -117.228
flat angles C4'-P-C4' energy: -139.544
flat angles P-C4'-P energy: -95.157
tors. eta vs tors. theta energy: -218.422
Dist. restrs. and SS energy: 4.655 (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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2137.181126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.181126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.137293 (E_RNA)
where:
Base-Base interactions energy: -1544.335
where: short stacking energy: -600.505
Base-Backbone interact. energy: -0.437
local terms energy: -605.365425
where:
bonds (distance) C4'-P energy: -85.552
bonds (distance) P-C4' energy: -110.485
flat angles C4'-P-C4' energy: -131.729
flat angles P-C4'-P energy: -85.172
tors. eta vs tors. theta energy: -192.427
Dist. restrs. and SS energy: 12.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -2047.160421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.160421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.377383 (E_RNA)
where:
Base-Base interactions energy: -1440.106
where: short stacking energy: -580.171
Base-Backbone interact. energy: -1.338
local terms energy: -622.933269
where:
bonds (distance) C4'-P energy: -113.447
bonds (distance) P-C4' energy: -121.115
flat angles C4'-P-C4' energy: -135.452
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -175.336
Dist. restrs. and SS energy: 17.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1885.816944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.816944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.360191 (E_RNA)
where:
Base-Base interactions energy: -1365.212
where: short stacking energy: -568.126
Base-Backbone interact. energy: 2.508
local terms energy: -561.655441
where:
bonds (distance) C4'-P energy: -94.279
bonds (distance) P-C4' energy: -98.232
flat angles C4'-P-C4' energy: -123.699
flat angles P-C4'-P energy: -83.409
tors. eta vs tors. theta energy: -162.037
Dist. restrs. and SS energy: 38.543 (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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2751.413896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.413896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.072332 (E_RNA)
where:
Base-Base interactions energy: -1947.380
where: short stacking energy: -800.566
Base-Backbone interact. energy: -1.573
local terms energy: -811.118978
where:
bonds (distance) C4'-P energy: -142.028
bonds (distance) P-C4' energy: -140.860
flat angles C4'-P-C4' energy: -160.135
flat angles P-C4'-P energy: -121.921
tors. eta vs tors. theta energy: -246.174
Dist. restrs. and SS energy: 8.658 (S_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: -2697.054104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.054104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.432693 (E_RNA)
where:
Base-Base interactions energy: -1898.205
where: short stacking energy: -774.304
Base-Backbone interact. energy: -0.483
local terms energy: -803.744665
where:
bonds (distance) C4'-P energy: -137.261
bonds (distance) P-C4' energy: -144.395
flat angles C4'-P-C4' energy: -162.681
flat angles P-C4'-P energy: -111.868
tors. eta vs tors. theta energy: -247.539
Dist. restrs. and SS energy: 5.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2648.033726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.033726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.973951 (E_RNA)
where:
Base-Base interactions energy: -1878.133
where: short stacking energy: -773.522
Base-Backbone interact. energy: -2.075
local terms energy: -775.765797
where:
bonds (distance) C4'-P energy: -135.727
bonds (distance) P-C4' energy: -140.815
flat angles C4'-P-C4' energy: -154.690
flat angles P-C4'-P energy: -105.232
tors. eta vs tors. theta energy: -239.301
Dist. restrs. and SS energy: 7.940 (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: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2528.953698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.953698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.810209 (E_RNA)
where:
Base-Base interactions energy: -1786.769
where: short stacking energy: -708.975
Base-Backbone interact. energy: -2.682
local terms energy: -747.358808
where:
bonds (distance) C4'-P energy: -122.225
bonds (distance) P-C4' energy: -140.487
flat angles C4'-P-C4' energy: -150.450
flat angles P-C4'-P energy: -115.287
tors. eta vs tors. theta energy: -218.910
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: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2482.240782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.240782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.502970 (E_RNA)
where:
Base-Base interactions energy: -1761.540
where: short stacking energy: -716.914
Base-Backbone interact. energy: -3.030
local terms energy: -730.932332
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -133.721
flat angles C4'-P-C4' energy: -145.080
flat angles P-C4'-P energy: -104.709
tors. eta vs tors. theta energy: -221.991
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: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2426.128046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.128046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.652350 (E_RNA)
where:
Base-Base interactions energy: -1731.390
where: short stacking energy: -683.644
Base-Backbone interact. energy: -2.707
local terms energy: -696.555981
where:
bonds (distance) C4'-P energy: -115.928
bonds (distance) P-C4' energy: -115.358
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -108.109
tors. eta vs tors. theta energy: -216.873
Dist. restrs. and SS energy: 4.524 (S_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: 251
Temperature: 1.200000
Total energy: -2346.340787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.340787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.892487 (E_RNA)
where:
Base-Base interactions energy: -1702.214
where: short stacking energy: -680.411
Base-Backbone interact. energy: -1.531
local terms energy: -658.147086
where:
bonds (distance) C4'-P energy: -99.068
bonds (distance) P-C4' energy: -125.477
flat angles C4'-P-C4' energy: -137.128
flat angles P-C4'-P energy: -78.569
tors. eta vs tors. theta energy: -217.905
Dist. restrs. and SS energy: 15.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2178.450439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.450439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.793594 (E_RNA)
where:
Base-Base interactions energy: -1590.933
where: short stacking energy: -642.096
Base-Backbone interact. energy: -1.178
local terms energy: -600.682621
where:
bonds (distance) C4'-P energy: -128.034
bonds (distance) P-C4' energy: -82.652
flat angles C4'-P-C4' energy: -115.638
flat angles P-C4'-P energy: -88.443
tors. eta vs tors. theta energy: -185.916
Dist. restrs. and SS energy: 14.343 (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: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -2050.231002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.231002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.416343 (E_RNA)
where:
Base-Base interactions energy: -1440.128
where: short stacking energy: -577.396
Base-Backbone interact. energy: -2.566
local terms energy: -625.722461
where:
bonds (distance) C4'-P energy: -105.224
bonds (distance) P-C4' energy: -133.359
flat angles C4'-P-C4' energy: -143.275
flat angles P-C4'-P energy: -81.426
tors. eta vs tors. theta energy: -162.439
Dist. restrs. and SS energy: 18.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1886.830374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.830374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.057088 (E_RNA)
where:
Base-Base interactions energy: -1315.282
where: short stacking energy: -527.438
Base-Backbone interact. energy: 1.348
local terms energy: -604.123616
where:
bonds (distance) C4'-P energy: -107.469
bonds (distance) P-C4' energy: -122.552
flat angles C4'-P-C4' energy: -128.828
flat angles P-C4'-P energy: -92.853
tors. eta vs tors. theta energy: -152.421
Dist. restrs. and SS energy: 31.227 (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: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2754.271007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.271007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.161224 (E_RNA)
where:
Base-Base interactions energy: -1927.698
where: short stacking energy: -785.600
Base-Backbone interact. energy: -4.474
local terms energy: -832.988287
where:
bonds (distance) C4'-P energy: -150.995
bonds (distance) P-C4' energy: -142.759
flat angles C4'-P-C4' energy: -167.619
flat angles P-C4'-P energy: -126.161
tors. eta vs tors. theta energy: -245.454
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: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2703.981050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.981050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.750266 (E_RNA)
where:
Base-Base interactions energy: -1917.442
where: short stacking energy: -787.395
Base-Backbone interact. energy: -1.938
local terms energy: -791.369644
where:
bonds (distance) C4'-P energy: -125.952
bonds (distance) P-C4' energy: -145.474
flat angles C4'-P-C4' energy: -168.633
flat angles P-C4'-P energy: -108.979
tors. eta vs tors. theta energy: -242.332
Dist. restrs. and SS energy: 6.769 (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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2640.929962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.929962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.250129 (E_RNA)
where:
Base-Base interactions energy: -1886.020
where: short stacking energy: -785.744
Base-Backbone interact. energy: 4.364
local terms energy: -768.593826
where:
bonds (distance) C4'-P energy: -127.832
bonds (distance) P-C4' energy: -136.478
flat angles C4'-P-C4' energy: -155.240
flat angles P-C4'-P energy: -102.859
tors. eta vs tors. theta energy: -246.186
Dist. restrs. and SS energy: 9.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2523.280083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.280083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.352531 (E_RNA)
where:
Base-Base interactions energy: -1783.560
where: short stacking energy: -721.858
Base-Backbone interact. energy: 2.991
local terms energy: -751.783251
where:
bonds (distance) C4'-P energy: -141.301
bonds (distance) P-C4' energy: -120.576
flat angles C4'-P-C4' energy: -149.497
flat angles P-C4'-P energy: -118.581
tors. eta vs tors. theta energy: -221.828
Dist. restrs. and SS energy: 9.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2461.769540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.769540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.239158 (E_RNA)
where:
Base-Base interactions energy: -1751.933
where: short stacking energy: -725.908
Base-Backbone interact. energy: 2.093
local terms energy: -727.400048
where:
bonds (distance) C4'-P energy: -129.243
bonds (distance) P-C4' energy: -134.073
flat angles C4'-P-C4' energy: -136.264
flat angles P-C4'-P energy: -101.015
tors. eta vs tors. theta energy: -226.806
Dist. restrs. and SS energy: 15.470 (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: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2382.834131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.834131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.252227 (E_RNA)
where:
Base-Base interactions energy: -1713.425
where: short stacking energy: -694.822
Base-Backbone interact. energy: -2.017
local terms energy: -672.810011
where:
bonds (distance) C4'-P energy: -110.281
bonds (distance) P-C4' energy: -116.708
flat angles C4'-P-C4' energy: -137.861
flat angles P-C4'-P energy: -91.763
tors. eta vs tors. theta energy: -216.197
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: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2331.717523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.717523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.120503 (E_RNA)
where:
Base-Base interactions energy: -1627.843
where: short stacking energy: -642.462
Base-Backbone interact. energy: -1.163
local terms energy: -712.114380
where:
bonds (distance) C4'-P energy: -133.295
bonds (distance) P-C4' energy: -131.659
flat angles C4'-P-C4' energy: -137.324
flat angles P-C4'-P energy: -93.537
tors. eta vs tors. theta energy: -216.300
Dist. restrs. and SS energy: 9.403 (S_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: 252
Temperature: 1.250000
Total energy: -2175.993491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.993491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.939903 (E_RNA)
where:
Base-Base interactions energy: -1537.782
where: short stacking energy: -632.283
Base-Backbone interact. energy: -3.408
local terms energy: -658.750454
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -113.184
flat angles C4'-P-C4' energy: -151.027
flat angles P-C4'-P energy: -92.913
tors. eta vs tors. theta energy: -199.073
Dist. restrs. and SS energy: 23.946 (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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -2052.456537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.456537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.934671 (E_RNA)
where:
Base-Base interactions energy: -1457.978
where: short stacking energy: -574.193
Base-Backbone interact. energy: -2.166
local terms energy: -602.790298
where:
bonds (distance) C4'-P energy: -113.023
bonds (distance) P-C4' energy: -107.167
flat angles C4'-P-C4' energy: -139.727
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -169.115
Dist. restrs. and SS energy: 10.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1808.367986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.367986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.245699 (E_RNA)
where:
Base-Base interactions energy: -1300.983
where: short stacking energy: -544.843
Base-Backbone interact. energy: -0.483
local terms energy: -542.779916
where:
bonds (distance) C4'-P energy: -95.005
bonds (distance) P-C4' energy: -80.479
flat angles C4'-P-C4' energy: -126.969
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -162.874
Dist. restrs. and SS energy: 35.878 (S_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: 253
Temperature: 0.900000
Total energy: -2714.707420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.707420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.533799 (E_RNA)
where:
Base-Base interactions energy: -1930.126
where: short stacking energy: -786.063
Base-Backbone interact. energy: -1.901
local terms energy: -793.507196
where:
bonds (distance) C4'-P energy: -135.010
bonds (distance) P-C4' energy: -136.369
flat angles C4'-P-C4' energy: -160.127
flat angles P-C4'-P energy: -129.683
tors. eta vs tors. theta energy: -232.318
Dist. restrs. and SS energy: 10.826 (S_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: -2718.725850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.725850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.316028 (E_RNA)
where:
Base-Base interactions energy: -1932.646
where: short stacking energy: -802.430
Base-Backbone interact. energy: -0.066
local terms energy: -794.604753
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -134.792
flat angles C4'-P-C4' energy: -160.461
flat angles P-C4'-P energy: -111.998
tors. eta vs tors. theta energy: -253.933
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: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2628.430059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.430059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.608859 (E_RNA)
where:
Base-Base interactions energy: -1840.643
where: short stacking energy: -771.556
Base-Backbone interact. energy: -2.563
local terms energy: -793.402821
where:
bonds (distance) C4'-P energy: -139.716
bonds (distance) P-C4' energy: -135.306
flat angles C4'-P-C4' energy: -162.914
flat angles P-C4'-P energy: -115.112
tors. eta vs tors. theta energy: -240.354
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2532.579411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.579411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.802268 (E_RNA)
where:
Base-Base interactions energy: -1807.041
where: short stacking energy: -755.847
Base-Backbone interact. energy: -2.717
local terms energy: -737.044082
where:
bonds (distance) C4'-P energy: -130.826
bonds (distance) P-C4' energy: -124.256
flat angles C4'-P-C4' energy: -161.734
flat angles P-C4'-P energy: -96.669
tors. eta vs tors. theta energy: -223.559
Dist. restrs. and SS energy: 14.223 (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: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2505.441149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.441149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.665733 (E_RNA)
where:
Base-Base interactions energy: -1766.786
where: short stacking energy: -731.586
Base-Backbone interact. energy: -2.984
local terms energy: -745.895939
where:
bonds (distance) C4'-P energy: -123.055
bonds (distance) P-C4' energy: -121.940
flat angles C4'-P-C4' energy: -163.125
flat angles P-C4'-P energy: -111.882
tors. eta vs tors. theta energy: -225.894
Dist. restrs. and SS energy: 10.225 (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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2435.225044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.225044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.051331 (E_RNA)
where:
Base-Base interactions energy: -1718.362
where: short stacking energy: -706.159
Base-Backbone interact. energy: -2.543
local terms energy: -718.145912
where:
bonds (distance) C4'-P energy: -127.868
bonds (distance) P-C4' energy: -113.305
flat angles C4'-P-C4' energy: -146.295
flat angles P-C4'-P energy: -102.143
tors. eta vs tors. theta energy: -228.535
Dist. restrs. and SS energy: 3.826 (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: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2319.187175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.187175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.978837 (E_RNA)
where:
Base-Base interactions energy: -1658.378
where: short stacking energy: -658.373
Base-Backbone interact. energy: -1.743
local terms energy: -666.858436
where:
bonds (distance) C4'-P energy: -122.515
bonds (distance) P-C4' energy: -121.048
flat angles C4'-P-C4' energy: -129.997
flat angles P-C4'-P energy: -83.842
tors. eta vs tors. theta energy: -209.457
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: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2142.109381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.109381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.444268 (E_RNA)
where:
Base-Base interactions energy: -1536.332
where: short stacking energy: -607.834
Base-Backbone interact. energy: 0.642
local terms energy: -623.754301
where:
bonds (distance) C4'-P energy: -113.464
bonds (distance) P-C4' energy: -109.069
flat angles C4'-P-C4' energy: -149.702
flat angles P-C4'-P energy: -76.371
tors. eta vs tors. theta energy: -175.148
Dist. restrs. and SS energy: 17.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -2004.237104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.401895 (E_RNA)
where:
Base-Base interactions energy: -1418.164
where: short stacking energy: -579.390
Base-Backbone interact. energy: 0.082
local terms energy: -615.320676
where:
bonds (distance) C4'-P energy: -115.783
bonds (distance) P-C4' energy: -107.907
flat angles C4'-P-C4' energy: -140.697
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -174.433
Dist. restrs. and SS energy: 29.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1874.182316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.182316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.916682 (E_RNA)
where:
Base-Base interactions energy: -1338.896
where: short stacking energy: -509.664
Base-Backbone interact. energy: -0.419
local terms energy: -562.601943
where:
bonds (distance) C4'-P energy: -92.405
bonds (distance) P-C4' energy: -114.153
flat angles C4'-P-C4' energy: -123.936
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -156.108
Dist. restrs. and SS energy: 27.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2729.404978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.404978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.505644 (E_RNA)
where:
Base-Base interactions energy: -1928.826
where: short stacking energy: -798.007
Base-Backbone interact. energy: 1.032
local terms energy: -812.712145
where:
bonds (distance) C4'-P energy: -133.990
bonds (distance) P-C4' energy: -152.704
flat angles C4'-P-C4' energy: -163.344
flat angles P-C4'-P energy: -121.927
tors. eta vs tors. theta energy: -240.747
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: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2697.911677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.911677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.471294 (E_RNA)
where:
Base-Base interactions energy: -1923.346
where: short stacking energy: -760.525
Base-Backbone interact. energy: -3.757
local terms energy: -778.367687
where:
bonds (distance) C4'-P energy: -136.141
bonds (distance) P-C4' energy: -139.661
flat angles C4'-P-C4' energy: -156.447
flat angles P-C4'-P energy: -114.000
tors. eta vs tors. theta energy: -232.119
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: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2658.270109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.270109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.979747 (E_RNA)
where:
Base-Base interactions energy: -1903.895
where: short stacking energy: -790.132
Base-Backbone interact. energy: 1.366
local terms energy: -764.450905
where:
bonds (distance) C4'-P energy: -126.287
bonds (distance) P-C4' energy: -128.039
flat angles C4'-P-C4' energy: -158.489
flat angles P-C4'-P energy: -109.245
tors. eta vs tors. theta energy: -242.391
Dist. restrs. and SS energy: 8.710 (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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2560.707859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.707859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.386132 (E_RNA)
where:
Base-Base interactions energy: -1837.569
where: short stacking energy: -764.126
Base-Backbone interact. energy: -2.550
local terms energy: -731.266963
where:
bonds (distance) C4'-P energy: -138.266
bonds (distance) P-C4' energy: -118.745
flat angles C4'-P-C4' energy: -152.284
flat angles P-C4'-P energy: -94.199
tors. eta vs tors. theta energy: -227.773
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: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2509.669717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.669717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.729655 (E_RNA)
where:
Base-Base interactions energy: -1782.698
where: short stacking energy: -750.585
Base-Backbone interact. energy: -1.870
local terms energy: -739.161829
where:
bonds (distance) C4'-P energy: -124.052
bonds (distance) P-C4' energy: -125.558
flat angles C4'-P-C4' energy: -161.596
flat angles P-C4'-P energy: -99.003
tors. eta vs tors. theta energy: -228.953
Dist. restrs. and SS energy: 14.060 (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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2387.731993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.731993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.979297 (E_RNA)
where:
Base-Base interactions energy: -1716.580
where: short stacking energy: -705.570
Base-Backbone interact. energy: -0.744
local terms energy: -671.654461
where:
bonds (distance) C4'-P energy: -116.392
bonds (distance) P-C4' energy: -105.208
flat angles C4'-P-C4' energy: -142.511
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -218.151
Dist. restrs. and SS energy: 1.247 (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: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2338.133960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.133960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.817313 (E_RNA)
where:
Base-Base interactions energy: -1665.163
where: short stacking energy: -651.923
Base-Backbone interact. energy: -1.530
local terms energy: -686.124008
where:
bonds (distance) C4'-P energy: -117.389
bonds (distance) P-C4' energy: -125.714
flat angles C4'-P-C4' energy: -145.052
flat angles P-C4'-P energy: -90.798
tors. eta vs tors. theta energy: -207.171
Dist. restrs. and SS energy: 14.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2148.211562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.211562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.229933 (E_RNA)
where:
Base-Base interactions energy: -1540.501
where: short stacking energy: -623.410
Base-Backbone interact. energy: -3.532
local terms energy: -618.197494
where:
bonds (distance) C4'-P energy: -106.810
bonds (distance) P-C4' energy: -104.586
flat angles C4'-P-C4' energy: -141.222
flat angles P-C4'-P energy: -84.628
tors. eta vs tors. theta energy: -180.952
Dist. restrs. and SS energy: 14.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -2027.039979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.039979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.506664 (E_RNA)
where:
Base-Base interactions energy: -1449.666
where: short stacking energy: -569.284
Base-Backbone interact. energy: 0.031
local terms energy: -597.871581
where:
bonds (distance) C4'-P energy: -110.365
bonds (distance) P-C4' energy: -105.396
flat angles C4'-P-C4' energy: -136.950
flat angles P-C4'-P energy: -76.219
tors. eta vs tors. theta energy: -168.942
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: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1887.363522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.363522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.741047 (E_RNA)
where:
Base-Base interactions energy: -1316.300
where: short stacking energy: -531.017
Base-Backbone interact. energy: 1.650
local terms energy: -605.091288
where:
bonds (distance) C4'-P energy: -104.755
bonds (distance) P-C4' energy: -118.213
flat angles C4'-P-C4' energy: -137.066
flat angles P-C4'-P energy: -83.528
tors. eta vs tors. theta energy: -161.530
Dist. restrs. and SS energy: 32.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2760.681711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.681711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.747338 (E_RNA)
where:
Base-Base interactions energy: -1947.258
where: short stacking energy: -819.717
Base-Backbone interact. energy: -2.725
local terms energy: -823.763889
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -154.895
flat angles C4'-P-C4' energy: -160.536
flat angles P-C4'-P energy: -128.472
tors. eta vs tors. theta energy: -245.719
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: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2713.764893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.764893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.853994 (E_RNA)
where:
Base-Base interactions energy: -1926.643
where: short stacking energy: -787.675
Base-Backbone interact. energy: -1.743
local terms energy: -793.468441
where:
bonds (distance) C4'-P energy: -135.651
bonds (distance) P-C4' energy: -139.446
flat angles C4'-P-C4' energy: -165.724
flat angles P-C4'-P energy: -110.891
tors. eta vs tors. theta energy: -241.756
Dist. restrs. and SS energy: 8.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2657.954964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.954964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.626862 (E_RNA)
where:
Base-Base interactions energy: -1891.530
where: short stacking energy: -778.525
Base-Backbone interact. energy: 1.577
local terms energy: -778.673862
where:
bonds (distance) C4'-P energy: -129.912
bonds (distance) P-C4' energy: -129.276
flat angles C4'-P-C4' energy: -162.611
flat angles P-C4'-P energy: -110.328
tors. eta vs tors. theta energy: -246.546
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: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2545.385234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.385234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.341955 (E_RNA)
where:
Base-Base interactions energy: -1812.589
where: short stacking energy: -736.958
Base-Backbone interact. energy: 0.270
local terms energy: -744.022976
where:
bonds (distance) C4'-P energy: -122.304
bonds (distance) P-C4' energy: -130.130
flat angles C4'-P-C4' energy: -153.994
flat angles P-C4'-P energy: -109.039
tors. eta vs tors. theta energy: -228.556
Dist. restrs. and SS energy: 10.957 (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: 255
Temperature: 1.100000
Total energy: -2493.301025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.301025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.457025 (E_RNA)
where:
Base-Base interactions energy: -1770.352
where: short stacking energy: -747.401
Base-Backbone interact. energy: -1.523
local terms energy: -732.581541
where:
bonds (distance) C4'-P energy: -126.186
bonds (distance) P-C4' energy: -118.069
flat angles C4'-P-C4' energy: -149.330
flat angles P-C4'-P energy: -100.261
tors. eta vs tors. theta energy: -238.736
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: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2403.392622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.392622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.481610 (E_RNA)
where:
Base-Base interactions energy: -1705.369
where: short stacking energy: -719.203
Base-Backbone interact. energy: -2.484
local terms energy: -699.628851
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -134.479
flat angles C4'-P-C4' energy: -143.086
flat angles P-C4'-P energy: -106.864
tors. eta vs tors. theta energy: -215.765
Dist. restrs. and SS energy: 4.089 (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: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2347.073417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.073417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.165545 (E_RNA)
where:
Base-Base interactions energy: -1676.886
where: short stacking energy: -672.686
Base-Backbone interact. energy: -2.546
local terms energy: -677.733392
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -109.333
flat angles C4'-P-C4' energy: -153.651
flat angles P-C4'-P energy: -98.800
tors. eta vs tors. theta energy: -208.902
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: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2219.174217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.174217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.197336 (E_RNA)
where:
Base-Base interactions energy: -1565.875
where: short stacking energy: -651.786
Base-Backbone interact. energy: -1.531
local terms energy: -664.790879
where:
bonds (distance) C4'-P energy: -109.965
bonds (distance) P-C4' energy: -118.700
flat angles C4'-P-C4' energy: -137.200
flat angles P-C4'-P energy: -98.727
tors. eta vs tors. theta energy: -200.198
Dist. restrs. and SS energy: 13.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -2012.280309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.280309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.553775 (E_RNA)
where:
Base-Base interactions energy: -1397.332
where: short stacking energy: -555.494
Base-Backbone interact. energy: -2.520
local terms energy: -637.701087
where:
bonds (distance) C4'-P energy: -115.017
bonds (distance) P-C4' energy: -114.809
flat angles C4'-P-C4' energy: -142.612
flat angles P-C4'-P energy: -80.532
tors. eta vs tors. theta energy: -184.731
Dist. restrs. and SS energy: 25.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1914.841516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.841516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.323922 (E_RNA)
where:
Base-Base interactions energy: -1352.485
where: short stacking energy: -556.934
Base-Backbone interact. energy: -2.465
local terms energy: -585.374583
where:
bonds (distance) C4'-P energy: -102.058
bonds (distance) P-C4' energy: -103.637
flat angles C4'-P-C4' energy: -129.706
flat angles P-C4'-P energy: -80.578
tors. eta vs tors. theta energy: -169.395
Dist. restrs. and SS energy: 25.482 (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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2764.817712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.817712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.058421 (E_RNA)
where:
Base-Base interactions energy: -1952.165
where: short stacking energy: -802.605
Base-Backbone interact. energy: 2.916
local terms energy: -823.809228
where:
bonds (distance) C4'-P energy: -143.095
bonds (distance) P-C4' energy: -144.812
flat angles C4'-P-C4' energy: -166.544
flat angles P-C4'-P energy: -124.352
tors. eta vs tors. theta energy: -245.006
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: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2711.550505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.550505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.021063 (E_RNA)
where:
Base-Base interactions energy: -1949.349
where: short stacking energy: -795.726
Base-Backbone interact. energy: -2.783
local terms energy: -764.889521
where:
bonds (distance) C4'-P energy: -137.886
bonds (distance) P-C4' energy: -123.073
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -101.325
tors. eta vs tors. theta energy: -238.383
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2633.145637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.145637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.825041 (E_RNA)
where:
Base-Base interactions energy: -1853.611
where: short stacking energy: -761.895
Base-Backbone interact. energy: 0.193
local terms energy: -788.406501
where:
bonds (distance) C4'-P energy: -125.774
bonds (distance) P-C4' energy: -139.352
flat angles C4'-P-C4' energy: -171.668
flat angles P-C4'-P energy: -115.922
tors. eta vs tors. theta energy: -235.691
Dist. restrs. and SS energy: 8.679 (S_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: 256
Temperature: 1.050000
Total energy: -2542.048946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.048946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.874721 (E_RNA)
where:
Base-Base interactions energy: -1821.117
where: short stacking energy: -755.215
Base-Backbone interact. energy: -1.547
local terms energy: -733.211200
where:
bonds (distance) C4'-P energy: -132.689
bonds (distance) P-C4' energy: -135.747
flat angles C4'-P-C4' energy: -152.309
flat angles P-C4'-P energy: -85.217
tors. eta vs tors. theta energy: -227.250
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: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2490.096504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.096504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.198674 (E_RNA)
where:
Base-Base interactions energy: -1759.039
where: short stacking energy: -731.985
Base-Backbone interact. energy: -1.792
local terms energy: -742.368502
where:
bonds (distance) C4'-P energy: -129.171
bonds (distance) P-C4' energy: -127.660
flat angles C4'-P-C4' energy: -155.549
flat angles P-C4'-P energy: -93.559
tors. eta vs tors. theta energy: -236.430
Dist. restrs. and SS energy: 13.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2492.896522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.896522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.947851 (E_RNA)
where:
Base-Base interactions energy: -1781.904
where: short stacking energy: -720.185
Base-Backbone interact. energy: -0.414
local terms energy: -713.629356
where:
bonds (distance) C4'-P energy: -123.224
bonds (distance) P-C4' energy: -127.477
flat angles C4'-P-C4' energy: -130.997
flat angles P-C4'-P energy: -104.378
tors. eta vs tors. theta energy: -227.552
Dist. restrs. and SS energy: 3.051 (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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2334.324357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.324357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.350168 (E_RNA)
where:
Base-Base interactions energy: -1670.009
where: short stacking energy: -673.130
Base-Backbone interact. energy: -2.848
local terms energy: -670.493469
where:
bonds (distance) C4'-P energy: -110.448
bonds (distance) P-C4' energy: -106.076
flat angles C4'-P-C4' energy: -142.860
flat angles P-C4'-P energy: -104.271
tors. eta vs tors. theta energy: -206.839
Dist. restrs. and SS energy: 9.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2255.672487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.672487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.538233 (E_RNA)
where:
Base-Base interactions energy: -1605.971
where: short stacking energy: -645.828
Base-Backbone interact. energy: -0.444
local terms energy: -659.123755
where:
bonds (distance) C4'-P energy: -115.349
bonds (distance) P-C4' energy: -109.068
flat angles C4'-P-C4' energy: -139.302
flat angles P-C4'-P energy: -89.211
tors. eta vs tors. theta energy: -206.195
Dist. restrs. and SS energy: 9.866 (S_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: 256
Temperature: 1.300000
Total energy: -2047.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.439540 (E_RNA)
where:
Base-Base interactions energy: -1443.439
where: short stacking energy: -573.459
Base-Backbone interact. energy: 1.467
local terms energy: -620.467522
where:
bonds (distance) C4'-P energy: -109.270
bonds (distance) P-C4' energy: -105.590
flat angles C4'-P-C4' energy: -136.602
flat angles P-C4'-P energy: -86.368
tors. eta vs tors. theta energy: -182.637
Dist. restrs. and SS energy: 15.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1901.685069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.685069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.176659 (E_RNA)
where:
Base-Base interactions energy: -1375.319
where: short stacking energy: -538.913
Base-Backbone interact. energy: -2.033
local terms energy: -565.824995
where:
bonds (distance) C4'-P energy: -101.079
bonds (distance) P-C4' energy: -104.386
flat angles C4'-P-C4' energy: -133.243
flat angles P-C4'-P energy: -77.540
tors. eta vs tors. theta energy: -149.577
Dist. restrs. and SS energy: 41.492 (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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2759.310850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.310850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.735233 (E_RNA)
where:
Base-Base interactions energy: -1949.603
where: short stacking energy: -811.755
Base-Backbone interact. energy: -3.251
local terms energy: -815.881201
where:
bonds (distance) C4'-P energy: -147.204
bonds (distance) P-C4' energy: -142.452
flat angles C4'-P-C4' energy: -168.686
flat angles P-C4'-P energy: -115.905
tors. eta vs tors. theta energy: -241.634
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: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2684.491729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.491729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.606228 (E_RNA)
where:
Base-Base interactions energy: -1909.638
where: short stacking energy: -778.718
Base-Backbone interact. energy: -3.016
local terms energy: -777.952399
where:
bonds (distance) C4'-P energy: -130.864
bonds (distance) P-C4' energy: -137.756
flat angles C4'-P-C4' energy: -164.014
flat angles P-C4'-P energy: -112.211
tors. eta vs tors. theta energy: -233.107
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: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2637.674302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.674302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.624509 (E_RNA)
where:
Base-Base interactions energy: -1868.140
where: short stacking energy: -775.918
Base-Backbone interact. energy: -3.200
local terms energy: -774.284195
where:
bonds (distance) C4'-P energy: -126.477
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -160.499
flat angles P-C4'-P energy: -108.193
tors. eta vs tors. theta energy: -240.760
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: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2524.354909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.354909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.023450 (E_RNA)
where:
Base-Base interactions energy: -1790.762
where: short stacking energy: -721.912
Base-Backbone interact. energy: -1.506
local terms energy: -743.755572
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -123.726
flat angles C4'-P-C4' energy: -156.452
flat angles P-C4'-P energy: -98.901
tors. eta vs tors. theta energy: -229.795
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: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2433.450901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.450901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.684486 (E_RNA)
where:
Base-Base interactions energy: -1735.778
where: short stacking energy: -702.259
Base-Backbone interact. energy: -1.460
local terms energy: -709.446880
where:
bonds (distance) C4'-P energy: -109.106
bonds (distance) P-C4' energy: -128.534
flat angles C4'-P-C4' energy: -150.040
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -225.450
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2470.250352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.250352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.301081 (E_RNA)
where:
Base-Base interactions energy: -1763.971
where: short stacking energy: -730.709
Base-Backbone interact. energy: -1.334
local terms energy: -708.996079
where:
bonds (distance) C4'-P energy: -122.144
bonds (distance) P-C4' energy: -130.818
flat angles C4'-P-C4' energy: -138.838
flat angles P-C4'-P energy: -82.243
tors. eta vs tors. theta energy: -234.952
Dist. restrs. and SS energy: 4.051 (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: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2352.147831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.147831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.933800 (E_RNA)
where:
Base-Base interactions energy: -1692.624
where: short stacking energy: -670.912
Base-Backbone interact. energy: 3.240
local terms energy: -670.550745
where:
bonds (distance) C4'-P energy: -112.273
bonds (distance) P-C4' energy: -120.794
flat angles C4'-P-C4' energy: -138.773
flat angles P-C4'-P energy: -98.309
tors. eta vs tors. theta energy: -200.402
Dist. restrs. and SS energy: 7.786 (S_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: 257
Temperature: 1.250000
Total energy: -2148.173757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.173757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.355572 (E_RNA)
where:
Base-Base interactions energy: -1533.239
where: short stacking energy: -609.777
Base-Backbone interact. energy: -3.059
local terms energy: -624.056916
where:
bonds (distance) C4'-P energy: -99.780
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -146.733
flat angles P-C4'-P energy: -75.102
tors. eta vs tors. theta energy: -198.353
Dist. restrs. and SS energy: 12.182 (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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -2098.031233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.031233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.080112 (E_RNA)
where:
Base-Base interactions energy: -1502.535
where: short stacking energy: -583.819
Base-Backbone interact. energy: -1.285
local terms energy: -609.259910
where:
bonds (distance) C4'-P energy: -99.292
bonds (distance) P-C4' energy: -106.889
flat angles C4'-P-C4' energy: -131.822
flat angles P-C4'-P energy: -79.459
tors. eta vs tors. theta energy: -191.799
Dist. restrs. and SS energy: 15.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1890.067516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.037858 (E_RNA)
where:
Base-Base interactions energy: -1348.354
where: short stacking energy: -543.211
Base-Backbone interact. energy: -1.092
local terms energy: -576.591850
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -99.432
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -89.249
tors. eta vs tors. theta energy: -159.363
Dist. restrs. and SS energy: 35.970 (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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2759.705116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.705116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.049256 (E_RNA)
where:
Base-Base interactions energy: -1964.727
where: short stacking energy: -825.694
Base-Backbone interact. energy: 1.783
local terms energy: -806.105343
where:
bonds (distance) C4'-P energy: -143.058
bonds (distance) P-C4' energy: -136.591
flat angles C4'-P-C4' energy: -172.914
flat angles P-C4'-P energy: -113.042
tors. eta vs tors. theta energy: -240.500
Dist. restrs. and SS energy: 9.344 (S_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: -2710.149780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.149780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.568469 (E_RNA)
where:
Base-Base interactions energy: -1929.004
where: short stacking energy: -778.157
Base-Backbone interact. energy: -0.281
local terms energy: -787.283516
where:
bonds (distance) C4'-P energy: -135.499
bonds (distance) P-C4' energy: -140.814
flat angles C4'-P-C4' energy: -159.485
flat angles P-C4'-P energy: -103.840
tors. eta vs tors. theta energy: -247.646
Dist. restrs. and SS energy: 6.419 (S_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: 258
Temperature: 1.000000
Total energy: -2623.354413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.354413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.278766 (E_RNA)
where:
Base-Base interactions energy: -1858.810
where: short stacking energy: -777.973
Base-Backbone interact. energy: -2.571
local terms energy: -768.898285
where:
bonds (distance) C4'-P energy: -113.387
bonds (distance) P-C4' energy: -144.133
flat angles C4'-P-C4' energy: -154.141
flat angles P-C4'-P energy: -109.504
tors. eta vs tors. theta energy: -247.734
Dist. restrs. and SS energy: 6.924 (S_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: 258
Temperature: 1.050000
Total energy: -2570.042965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.042965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.502447 (E_RNA)
where:
Base-Base interactions energy: -1817.400
where: short stacking energy: -749.809
Base-Backbone interact. energy: 0.073
local terms energy: -764.174597
where:
bonds (distance) C4'-P energy: -134.442
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -155.471
flat angles P-C4'-P energy: -112.883
tors. eta vs tors. theta energy: -234.374
Dist. restrs. and SS energy: 11.459 (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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2508.907426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.907426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.151252 (E_RNA)
where:
Base-Base interactions energy: -1783.816
where: short stacking energy: -703.946
Base-Backbone interact. energy: -2.425
local terms energy: -724.910267
where:
bonds (distance) C4'-P energy: -107.333
bonds (distance) P-C4' energy: -135.387
flat angles C4'-P-C4' energy: -154.339
flat angles P-C4'-P energy: -106.199
tors. eta vs tors. theta energy: -221.652
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2448.919509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.919509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.992703 (E_RNA)
where:
Base-Base interactions energy: -1718.282
where: short stacking energy: -709.023
Base-Backbone interact. energy: -1.414
local terms energy: -741.296427
where:
bonds (distance) C4'-P energy: -122.073
bonds (distance) P-C4' energy: -114.029
flat angles C4'-P-C4' energy: -159.488
flat angles P-C4'-P energy: -111.218
tors. eta vs tors. theta energy: -234.489
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: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2361.332019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.332019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.029559 (E_RNA)
where:
Base-Base interactions energy: -1685.914
where: short stacking energy: -677.028
Base-Backbone interact. energy: 0.397
local terms energy: -682.512910
where:
bonds (distance) C4'-P energy: -110.892
bonds (distance) P-C4' energy: -131.360
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -88.589
tors. eta vs tors. theta energy: -209.736
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: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2206.976763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.976763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.630317 (E_RNA)
where:
Base-Base interactions energy: -1549.097
where: short stacking energy: -628.067
Base-Backbone interact. energy: 0.311
local terms energy: -669.843603
where:
bonds (distance) C4'-P energy: -112.910
bonds (distance) P-C4' energy: -132.822
flat angles C4'-P-C4' energy: -137.738
flat angles P-C4'-P energy: -94.201
tors. eta vs tors. theta energy: -192.173
Dist. restrs. and SS energy: 11.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -2058.629948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.629948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.708502 (E_RNA)
where:
Base-Base interactions energy: -1490.775
where: short stacking energy: -615.274
Base-Backbone interact. energy: 2.588
local terms energy: -599.521923
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -104.098
flat angles C4'-P-C4' energy: -136.121
flat angles P-C4'-P energy: -83.041
tors. eta vs tors. theta energy: -173.482
Dist. restrs. and SS energy: 29.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1908.684764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.684764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.691816 (E_RNA)
where:
Base-Base interactions energy: -1370.697
where: short stacking energy: -546.475
Base-Backbone interact. energy: 2.655
local terms energy: -560.649567
where:
bonds (distance) C4'-P energy: -99.728
bonds (distance) P-C4' energy: -109.357
flat angles C4'-P-C4' energy: -112.855
flat angles P-C4'-P energy: -85.587
tors. eta vs tors. theta energy: -153.121
Dist. restrs. and SS energy: 20.007 (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: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2733.592836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.592836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.946611 (E_RNA)
where:
Base-Base interactions energy: -1932.918
where: short stacking energy: -787.945
Base-Backbone interact. energy: -2.309
local terms energy: -811.720146
where:
bonds (distance) C4'-P energy: -140.116
bonds (distance) P-C4' energy: -144.902
flat angles C4'-P-C4' energy: -169.423
flat angles P-C4'-P energy: -113.458
tors. eta vs tors. theta energy: -243.821
Dist. restrs. and SS energy: 13.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2713.509250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.509250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.435952 (E_RNA)
where:
Base-Base interactions energy: -1941.897
where: short stacking energy: -792.651
Base-Backbone interact. energy: 0.417
local terms energy: -778.955651
where:
bonds (distance) C4'-P energy: -134.437
bonds (distance) P-C4' energy: -131.665
flat angles C4'-P-C4' energy: -162.234
flat angles P-C4'-P energy: -107.505
tors. eta vs tors. theta energy: -243.114
Dist. restrs. and SS energy: 6.927 (S_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: 259
Temperature: 1.000000
Total energy: -2600.508630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.508630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.486945 (E_RNA)
where:
Base-Base interactions energy: -1821.635
where: short stacking energy: -733.189
Base-Backbone interact. energy: -2.043
local terms energy: -786.808635
where:
bonds (distance) C4'-P energy: -143.649
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -157.241
flat angles P-C4'-P energy: -115.748
tors. eta vs tors. theta energy: -235.656
Dist. restrs. and SS energy: 9.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2535.971211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.971211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.398348 (E_RNA)
where:
Base-Base interactions energy: -1795.698
where: short stacking energy: -732.046
Base-Backbone interact. energy: -3.448
local terms energy: -740.253112
where:
bonds (distance) C4'-P energy: -120.165
bonds (distance) P-C4' energy: -120.452
flat angles C4'-P-C4' energy: -160.650
flat angles P-C4'-P energy: -110.453
tors. eta vs tors. theta energy: -228.534
Dist. restrs. and SS energy: 3.427 (S_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: 259
Temperature: 1.100000
Total energy: -2482.811552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.811552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.827864 (E_RNA)
where:
Base-Base interactions energy: -1773.561
where: short stacking energy: -709.954
Base-Backbone interact. energy: -2.640
local terms energy: -719.626708
where:
bonds (distance) C4'-P energy: -111.137
bonds (distance) P-C4' energy: -123.672
flat angles C4'-P-C4' energy: -162.733
flat angles P-C4'-P energy: -96.872
tors. eta vs tors. theta energy: -225.213
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2414.289964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.289964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.560318 (E_RNA)
where:
Base-Base interactions energy: -1735.583
where: short stacking energy: -695.212
Base-Backbone interact. energy: 1.361
local terms energy: -687.339296
where:
bonds (distance) C4'-P energy: -118.740
bonds (distance) P-C4' energy: -133.389
flat angles C4'-P-C4' energy: -134.979
flat angles P-C4'-P energy: -97.403
tors. eta vs tors. theta energy: -202.828
Dist. restrs. and SS energy: 7.270 (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: 259
Temperature: 1.200000
Total energy: -2333.115161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.115161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.064543 (E_RNA)
where:
Base-Base interactions energy: -1641.782
where: short stacking energy: -689.331
Base-Backbone interact. energy: -0.245
local terms energy: -702.037585
where:
bonds (distance) C4'-P energy: -112.565
bonds (distance) P-C4' energy: -124.243
flat angles C4'-P-C4' energy: -146.252
flat angles P-C4'-P energy: -103.799
tors. eta vs tors. theta energy: -215.179
Dist. restrs. and SS energy: 10.949 (S_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: 259
Temperature: 1.250000
Total energy: -2225.442039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.442039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.968548 (E_RNA)
where:
Base-Base interactions energy: -1595.386
where: short stacking energy: -654.581
Base-Backbone interact. energy: 7.053
local terms energy: -648.636509
where:
bonds (distance) C4'-P energy: -108.258
bonds (distance) P-C4' energy: -108.333
flat angles C4'-P-C4' energy: -139.947
flat angles P-C4'-P energy: -93.561
tors. eta vs tors. theta energy: -198.538
Dist. restrs. and SS energy: 11.527 (S_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: 259
Temperature: 1.300000
Total energy: -2109.533334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.533334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.039555 (E_RNA)
where:
Base-Base interactions energy: -1503.312
where: short stacking energy: -630.476
Base-Backbone interact. energy: -2.567
local terms energy: -628.160621
where:
bonds (distance) C4'-P energy: -119.709
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -138.704
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -186.797
Dist. restrs. and SS energy: 24.506 (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: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1918.231275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.467049 (E_RNA)
where:
Base-Base interactions energy: -1357.885
where: short stacking energy: -538.664
Base-Backbone interact. energy: -0.754
local terms energy: -591.827709
where:
bonds (distance) C4'-P energy: -97.296
bonds (distance) P-C4' energy: -120.844
flat angles C4'-P-C4' energy: -128.553
flat angles P-C4'-P energy: -84.683
tors. eta vs tors. theta energy: -160.452
Dist. restrs. and SS energy: 32.236 (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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2738.034500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.034500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.715091 (E_RNA)
where:
Base-Base interactions energy: -1947.539
where: short stacking energy: -808.687
Base-Backbone interact. energy: -0.143
local terms energy: -802.032722
where:
bonds (distance) C4'-P energy: -138.055
bonds (distance) P-C4' energy: -138.126
flat angles C4'-P-C4' energy: -160.981
flat angles P-C4'-P energy: -117.246
tors. eta vs tors. theta energy: -247.625
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2694.420859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.420859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.550746 (E_RNA)
where:
Base-Base interactions energy: -1937.813
where: short stacking energy: -785.973
Base-Backbone interact. energy: -0.556
local terms energy: -765.182346
where:
bonds (distance) C4'-P energy: -128.566
bonds (distance) P-C4' energy: -141.280
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -101.298
tors. eta vs tors. theta energy: -232.373
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: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2600.923749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.923749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.655366 (E_RNA)
where:
Base-Base interactions energy: -1842.382
where: short stacking energy: -763.159
Base-Backbone interact. energy: -1.493
local terms energy: -764.781000
where:
bonds (distance) C4'-P energy: -129.090
bonds (distance) P-C4' energy: -139.787
flat angles C4'-P-C4' energy: -160.626
flat angles P-C4'-P energy: -101.842
tors. eta vs tors. theta energy: -233.436
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2541.514342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.514342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.158971 (E_RNA)
where:
Base-Base interactions energy: -1794.843
where: short stacking energy: -717.856
Base-Backbone interact. energy: -3.044
local terms energy: -747.272393
where:
bonds (distance) C4'-P energy: -118.852
bonds (distance) P-C4' energy: -138.604
flat angles C4'-P-C4' energy: -160.025
flat angles P-C4'-P energy: -108.425
tors. eta vs tors. theta energy: -221.366
Dist. restrs. and SS energy: 3.645 (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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2509.133037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.133037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.262126 (E_RNA)
where:
Base-Base interactions energy: -1759.711
where: short stacking energy: -726.733
Base-Backbone interact. energy: -2.938
local terms energy: -759.613144
where:
bonds (distance) C4'-P energy: -142.483
bonds (distance) P-C4' energy: -130.692
flat angles C4'-P-C4' energy: -151.398
flat angles P-C4'-P energy: -103.578
tors. eta vs tors. theta energy: -231.463
Dist. restrs. and SS energy: 13.129 (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: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2392.919526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.919526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.916144 (E_RNA)
where:
Base-Base interactions energy: -1698.621
where: short stacking energy: -693.318
Base-Backbone interact. energy: -0.503
local terms energy: -704.792213
where:
bonds (distance) C4'-P energy: -134.039
bonds (distance) P-C4' energy: -129.891
flat angles C4'-P-C4' energy: -147.441
flat angles P-C4'-P energy: -80.302
tors. eta vs tors. theta energy: -213.119
Dist. restrs. and SS energy: 10.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2297.527807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.527807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.872853 (E_RNA)
where:
Base-Base interactions energy: -1651.147
where: short stacking energy: -666.050
Base-Backbone interact. energy: -1.067
local terms energy: -654.659016
where:
bonds (distance) C4'-P energy: -103.487
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -137.383
flat angles P-C4'-P energy: -93.940
tors. eta vs tors. theta energy: -215.122
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2236.219620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.219620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.271257 (E_RNA)
where:
Base-Base interactions energy: -1606.282
where: short stacking energy: -644.596
Base-Backbone interact. energy: -2.256
local terms energy: -636.733592
where:
bonds (distance) C4'-P energy: -116.964
bonds (distance) P-C4' energy: -96.231
flat angles C4'-P-C4' energy: -120.238
flat angles P-C4'-P energy: -95.921
tors. eta vs tors. theta energy: -207.378
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: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -2109.177730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.177730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.205787 (E_RNA)
where:
Base-Base interactions energy: -1486.187
where: short stacking energy: -589.896
Base-Backbone interact. energy: -2.541
local terms energy: -635.478268
where:
bonds (distance) C4'-P energy: -110.886
bonds (distance) P-C4' energy: -112.162
flat angles C4'-P-C4' energy: -149.826
flat angles P-C4'-P energy: -82.259
tors. eta vs tors. theta energy: -180.346
Dist. restrs. and SS energy: 15.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1900.101736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.101736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.626769 (E_RNA)
where:
Base-Base interactions energy: -1347.139
where: short stacking energy: -539.329
Base-Backbone interact. energy: -0.844
local terms energy: -586.643056
where:
bonds (distance) C4'-P energy: -109.943
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -122.060
flat angles P-C4'-P energy: -78.050
tors. eta vs tors. theta energy: -164.437
Dist. restrs. and SS energy: 34.525 (S_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: 261
Temperature: 0.900000
Total energy: -2769.104044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.104044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.066383 (E_RNA)
where:
Base-Base interactions energy: -1949.805
where: short stacking energy: -811.268
Base-Backbone interact. energy: 0.229
local terms energy: -831.489832
where:
bonds (distance) C4'-P energy: -138.592
bonds (distance) P-C4' energy: -144.525
flat angles C4'-P-C4' energy: -178.840
flat angles P-C4'-P energy: -120.047
tors. eta vs tors. theta energy: -249.486
Dist. restrs. and SS energy: 11.962 (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: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2675.387403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.387403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.261230 (E_RNA)
where:
Base-Base interactions energy: -1903.298
where: short stacking energy: -755.325
Base-Backbone interact. energy: -2.248
local terms energy: -777.715498
where:
bonds (distance) C4'-P energy: -134.204
bonds (distance) P-C4' energy: -140.791
flat angles C4'-P-C4' energy: -142.316
flat angles P-C4'-P energy: -121.466
tors. eta vs tors. theta energy: -238.939
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2591.340077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.340077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.316414 (E_RNA)
where:
Base-Base interactions energy: -1838.682
where: short stacking energy: -764.063
Base-Backbone interact. energy: 2.631
local terms energy: -766.265255
where:
bonds (distance) C4'-P energy: -127.560
bonds (distance) P-C4' energy: -147.538
flat angles C4'-P-C4' energy: -153.758
flat angles P-C4'-P energy: -102.526
tors. eta vs tors. theta energy: -234.884
Dist. restrs. and SS energy: 10.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2531.686982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.686982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.160811 (E_RNA)
where:
Base-Base interactions energy: -1831.008
where: short stacking energy: -760.360
Base-Backbone interact. energy: -2.834
local terms energy: -704.319103
where:
bonds (distance) C4'-P energy: -118.170
bonds (distance) P-C4' energy: -120.258
flat angles C4'-P-C4' energy: -149.498
flat angles P-C4'-P energy: -98.636
tors. eta vs tors. theta energy: -217.758
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: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2508.687785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.687785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.503935 (E_RNA)
where:
Base-Base interactions energy: -1791.210
where: short stacking energy: -742.536
Base-Backbone interact. energy: -1.257
local terms energy: -729.036655
where:
bonds (distance) C4'-P energy: -107.871
bonds (distance) P-C4' energy: -135.982
flat angles C4'-P-C4' energy: -148.300
flat angles P-C4'-P energy: -95.850
tors. eta vs tors. theta energy: -241.033
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: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2415.914106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.914106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.523571 (E_RNA)
where:
Base-Base interactions energy: -1723.212
where: short stacking energy: -689.700
Base-Backbone interact. energy: -1.397
local terms energy: -697.914599
where:
bonds (distance) C4'-P energy: -133.570
bonds (distance) P-C4' energy: -113.518
flat angles C4'-P-C4' energy: -143.170
flat angles P-C4'-P energy: -90.855
tors. eta vs tors. theta energy: -216.801
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: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2334.089692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.089692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.634439 (E_RNA)
where:
Base-Base interactions energy: -1687.805
where: short stacking energy: -681.326
Base-Backbone interact. energy: -1.647
local terms energy: -659.182698
where:
bonds (distance) C4'-P energy: -101.779
bonds (distance) P-C4' energy: -111.248
flat angles C4'-P-C4' energy: -144.730
flat angles P-C4'-P energy: -97.864
tors. eta vs tors. theta energy: -203.562
Dist. restrs. and SS energy: 14.545 (S_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: 261
Temperature: 1.250000
Total energy: -2179.185530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.185530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.425380 (E_RNA)
where:
Base-Base interactions energy: -1544.855
where: short stacking energy: -603.323
Base-Backbone interact. energy: -2.527
local terms energy: -647.042902
where:
bonds (distance) C4'-P energy: -128.852
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -136.563
flat angles P-C4'-P energy: -86.369
tors. eta vs tors. theta energy: -182.524
Dist. restrs. and SS energy: 15.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -2052.911794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.911794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.483054 (E_RNA)
where:
Base-Base interactions energy: -1452.466
where: short stacking energy: -584.446
Base-Backbone interact. energy: -3.678
local terms energy: -615.338344
where:
bonds (distance) C4'-P energy: -108.984
bonds (distance) P-C4' energy: -121.628
flat angles C4'-P-C4' energy: -138.610
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -167.515
Dist. restrs. and SS energy: 18.571 (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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1918.446705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.446705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.310927 (E_RNA)
where:
Base-Base interactions energy: -1330.166
where: short stacking energy: -539.198
Base-Backbone interact. energy: 1.180
local terms energy: -620.325322
where:
bonds (distance) C4'-P energy: -100.965
bonds (distance) P-C4' energy: -136.324
flat angles C4'-P-C4' energy: -128.959
flat angles P-C4'-P energy: -87.721
tors. eta vs tors. theta energy: -166.355
Dist. restrs. and SS energy: 30.864 (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: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2766.295613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.856718 (E_RNA)
where:
Base-Base interactions energy: -1951.181
where: short stacking energy: -811.223
Base-Backbone interact. energy: -1.552
local terms energy: -826.123626
where:
bonds (distance) C4'-P energy: -136.921
bonds (distance) P-C4' energy: -139.068
flat angles C4'-P-C4' energy: -174.584
flat angles P-C4'-P energy: -130.900
tors. eta vs tors. theta energy: -244.651
Dist. restrs. and SS energy: 12.561 (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: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2670.103165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.103165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.778453 (E_RNA)
where:
Base-Base interactions energy: -1897.700
where: short stacking energy: -753.234
Base-Backbone interact. energy: -4.681
local terms energy: -774.397119
where:
bonds (distance) C4'-P energy: -142.176
bonds (distance) P-C4' energy: -129.962
flat angles C4'-P-C4' energy: -159.202
flat angles P-C4'-P energy: -106.442
tors. eta vs tors. theta energy: -236.614
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: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2591.361992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.361992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.985779 (E_RNA)
where:
Base-Base interactions energy: -1835.604
where: short stacking energy: -745.215
Base-Backbone interact. energy: -3.950
local terms energy: -753.432384
where:
bonds (distance) C4'-P energy: -132.029
bonds (distance) P-C4' energy: -129.527
flat angles C4'-P-C4' energy: -165.101
flat angles P-C4'-P energy: -104.281
tors. eta vs tors. theta energy: -222.494
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2566.343407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.343407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.267538 (E_RNA)
where:
Base-Base interactions energy: -1844.830
where: short stacking energy: -773.088
Base-Backbone interact. energy: 4.989
local terms energy: -736.426940
where:
bonds (distance) C4'-P energy: -103.550
bonds (distance) P-C4' energy: -128.320
flat angles C4'-P-C4' energy: -155.974
flat angles P-C4'-P energy: -107.135
tors. eta vs tors. theta energy: -241.447
Dist. restrs. and SS energy: 9.924 (S_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: 262
Temperature: 1.100000
Total energy: -2482.854456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.854456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.284438 (E_RNA)
where:
Base-Base interactions energy: -1755.377
where: short stacking energy: -717.987
Base-Backbone interact. energy: -3.473
local terms energy: -736.433913
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -144.251
flat angles C4'-P-C4' energy: -140.214
flat angles P-C4'-P energy: -103.007
tors. eta vs tors. theta energy: -226.554
Dist. restrs. and SS energy: 12.430 (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: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2410.862872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.862872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.114231 (E_RNA)
where:
Base-Base interactions energy: -1710.810
where: short stacking energy: -695.829
Base-Backbone interact. energy: -0.734
local terms energy: -715.569717
where:
bonds (distance) C4'-P energy: -127.340
bonds (distance) P-C4' energy: -116.742
flat angles C4'-P-C4' energy: -152.228
flat angles P-C4'-P energy: -107.016
tors. eta vs tors. theta energy: -212.243
Dist. restrs. and SS energy: 16.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2341.021598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.021598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.645441 (E_RNA)
where:
Base-Base interactions energy: -1639.000
where: short stacking energy: -675.963
Base-Backbone interact. energy: -5.050
local terms energy: -703.595961
where:
bonds (distance) C4'-P energy: -115.046
bonds (distance) P-C4' energy: -127.682
flat angles C4'-P-C4' energy: -142.766
flat angles P-C4'-P energy: -110.309
tors. eta vs tors. theta energy: -207.793
Dist. restrs. and SS energy: 6.624 (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: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2199.331965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.331965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.299462 (E_RNA)
where:
Base-Base interactions energy: -1575.652
where: short stacking energy: -624.768
Base-Backbone interact. energy: -2.073
local terms energy: -634.573912
where:
bonds (distance) C4'-P energy: -117.098
bonds (distance) P-C4' energy: -121.376
flat angles C4'-P-C4' energy: -122.674
flat angles P-C4'-P energy: -83.533
tors. eta vs tors. theta energy: -189.893
Dist. restrs. and SS energy: 12.967 (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: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -2082.463872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.463872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.692159 (E_RNA)
where:
Base-Base interactions energy: -1490.889
where: short stacking energy: -598.038
Base-Backbone interact. energy: 6.546
local terms energy: -610.349410
where:
bonds (distance) C4'-P energy: -94.791
bonds (distance) P-C4' energy: -116.161
flat angles C4'-P-C4' energy: -143.104
flat angles P-C4'-P energy: -99.505
tors. eta vs tors. theta energy: -156.789
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: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1867.737166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.737166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.472040 (E_RNA)
where:
Base-Base interactions energy: -1300.899
where: short stacking energy: -513.370
Base-Backbone interact. energy: -2.786
local terms energy: -596.787165
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -124.330
flat angles C4'-P-C4' energy: -115.166
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -162.155
Dist. restrs. and SS energy: 32.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2766.003990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.003990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.356786 (E_RNA)
where:
Base-Base interactions energy: -1961.426
where: short stacking energy: -814.231
Base-Backbone interact. energy: -3.342
local terms energy: -813.589161
where:
bonds (distance) C4'-P energy: -129.019
bonds (distance) P-C4' energy: -137.719
flat angles C4'-P-C4' energy: -175.482
flat angles P-C4'-P energy: -122.256
tors. eta vs tors. theta energy: -249.113
Dist. restrs. and SS energy: 12.353 (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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2677.865614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.865614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.912454 (E_RNA)
where:
Base-Base interactions energy: -1894.072
where: short stacking energy: -793.456
Base-Backbone interact. energy: -4.259
local terms energy: -784.580949
where:
bonds (distance) C4'-P energy: -125.588
bonds (distance) P-C4' energy: -136.752
flat angles C4'-P-C4' energy: -160.617
flat angles P-C4'-P energy: -116.504
tors. eta vs tors. theta energy: -245.119
Dist. restrs. and SS energy: 5.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2592.711533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.711533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.626018 (E_RNA)
where:
Base-Base interactions energy: -1835.957
where: short stacking energy: -738.042
Base-Backbone interact. energy: -2.033
local terms energy: -756.636013
where:
bonds (distance) C4'-P energy: -127.690
bonds (distance) P-C4' energy: -134.808
flat angles C4'-P-C4' energy: -159.052
flat angles P-C4'-P energy: -110.452
tors. eta vs tors. theta energy: -224.635
Dist. restrs. and SS energy: 1.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2584.255621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.255621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.878296 (E_RNA)
where:
Base-Base interactions energy: -1828.229
where: short stacking energy: -747.690
Base-Backbone interact. energy: -3.310
local terms energy: -760.339067
where:
bonds (distance) C4'-P energy: -130.930
bonds (distance) P-C4' energy: -137.719
flat angles C4'-P-C4' energy: -162.698
flat angles P-C4'-P energy: -97.071
tors. eta vs tors. theta energy: -231.921
Dist. restrs. and SS energy: 7.623 (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: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2517.106687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.106687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.036809 (E_RNA)
where:
Base-Base interactions energy: -1765.466
where: short stacking energy: -742.787
Base-Backbone interact. energy: 0.578
local terms energy: -765.149119
where:
bonds (distance) C4'-P energy: -129.250
bonds (distance) P-C4' energy: -135.163
flat angles C4'-P-C4' energy: -158.294
flat angles P-C4'-P energy: -107.779
tors. eta vs tors. theta energy: -234.664
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: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2440.898587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.898587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.560632 (E_RNA)
where:
Base-Base interactions energy: -1731.369
where: short stacking energy: -700.837
Base-Backbone interact. energy: -1.019
local terms energy: -719.172026
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -129.512
flat angles C4'-P-C4' energy: -147.490
flat angles P-C4'-P energy: -103.306
tors. eta vs tors. theta energy: -217.423
Dist. restrs. and SS energy: 10.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2342.890032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.890032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.287780 (E_RNA)
where:
Base-Base interactions energy: -1658.730
where: short stacking energy: -658.385
Base-Backbone interact. energy: -0.954
local terms energy: -690.604247
where:
bonds (distance) C4'-P energy: -110.155
bonds (distance) P-C4' energy: -136.780
flat angles C4'-P-C4' energy: -148.637
flat angles P-C4'-P energy: -89.355
tors. eta vs tors. theta energy: -205.677
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: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2193.268387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.268387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.686113 (E_RNA)
where:
Base-Base interactions energy: -1572.911
where: short stacking energy: -629.729
Base-Backbone interact. energy: -1.506
local terms energy: -634.268891
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -116.182
flat angles C4'-P-C4' energy: -129.271
flat angles P-C4'-P energy: -74.629
tors. eta vs tors. theta energy: -199.744
Dist. restrs. and SS energy: 15.418 (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: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -2128.378519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.378519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.566161 (E_RNA)
where:
Base-Base interactions energy: -1521.300
where: short stacking energy: -614.654
Base-Backbone interact. energy: 2.810
local terms energy: -622.076175
where:
bonds (distance) C4'-P energy: -116.358
bonds (distance) P-C4' energy: -104.712
flat angles C4'-P-C4' energy: -133.948
flat angles P-C4'-P energy: -80.415
tors. eta vs tors. theta energy: -186.644
Dist. restrs. and SS energy: 12.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1876.251123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.251123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.825474 (E_RNA)
where:
Base-Base interactions energy: -1320.548
where: short stacking energy: -539.905
Base-Backbone interact. energy: 0.693
local terms energy: -579.970436
where:
bonds (distance) C4'-P energy: -118.304
bonds (distance) P-C4' energy: -113.380
flat angles C4'-P-C4' energy: -110.142
flat angles P-C4'-P energy: -91.322
tors. eta vs tors. theta energy: -146.822
Dist. restrs. and SS energy: 23.574 (S_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: 264
Temperature: 0.900000
Total energy: -2756.818593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.818593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.021223 (E_RNA)
where:
Base-Base interactions energy: -1948.602
where: short stacking energy: -796.593
Base-Backbone interact. energy: -2.397
local terms energy: -817.022410
where:
bonds (distance) C4'-P energy: -143.856
bonds (distance) P-C4' energy: -149.566
flat angles C4'-P-C4' energy: -170.277
flat angles P-C4'-P energy: -110.432
tors. eta vs tors. theta energy: -242.892
Dist. restrs. and SS energy: 11.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2703.622023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.622023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.824529 (E_RNA)
where:
Base-Base interactions energy: -1907.554
where: short stacking energy: -768.075
Base-Backbone interact. energy: -4.278
local terms energy: -799.992914
where:
bonds (distance) C4'-P energy: -146.030
bonds (distance) P-C4' energy: -139.124
flat angles C4'-P-C4' energy: -168.254
flat angles P-C4'-P energy: -107.971
tors. eta vs tors. theta energy: -238.614
Dist. restrs. and SS energy: 8.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2607.632941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.632941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.449035 (E_RNA)
where:
Base-Base interactions energy: -1816.705
where: short stacking energy: -721.629
Base-Backbone interact. energy: -2.800
local terms energy: -790.943731
where:
bonds (distance) C4'-P energy: -139.310
bonds (distance) P-C4' energy: -151.288
flat angles C4'-P-C4' energy: -160.008
flat angles P-C4'-P energy: -112.687
tors. eta vs tors. theta energy: -227.651
Dist. restrs. and SS energy: 2.816 (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: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2532.257260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.257260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.120377 (E_RNA)
where:
Base-Base interactions energy: -1801.537
where: short stacking energy: -728.858
Base-Backbone interact. energy: -1.878
local terms energy: -738.705350
where:
bonds (distance) C4'-P energy: -118.807
bonds (distance) P-C4' energy: -121.929
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -110.967
tors. eta vs tors. theta energy: -235.215
Dist. restrs. and SS energy: 9.863 (S_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: 264
Temperature: 1.100000
Total energy: -2553.681836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.681836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.827222 (E_RNA)
where:
Base-Base interactions energy: -1795.756
where: short stacking energy: -731.886
Base-Backbone interact. energy: 0.412
local terms energy: -769.482977
where:
bonds (distance) C4'-P energy: -142.183
bonds (distance) P-C4' energy: -141.517
flat angles C4'-P-C4' energy: -159.836
flat angles P-C4'-P energy: -94.438
tors. eta vs tors. theta energy: -231.509
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2397.597636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.597636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.071313 (E_RNA)
where:
Base-Base interactions energy: -1708.591
where: short stacking energy: -683.639
Base-Backbone interact. energy: 2.346
local terms energy: -700.826693
where:
bonds (distance) C4'-P energy: -125.577
bonds (distance) P-C4' energy: -117.447
flat angles C4'-P-C4' energy: -140.609
flat angles P-C4'-P energy: -106.151
tors. eta vs tors. theta energy: -211.043
Dist. restrs. and SS energy: 9.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2329.209259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.209259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.678273 (E_RNA)
where:
Base-Base interactions energy: -1667.039
where: short stacking energy: -657.759
Base-Backbone interact. energy: -1.008
local terms energy: -666.630566
where:
bonds (distance) C4'-P energy: -109.893
bonds (distance) P-C4' energy: -125.910
flat angles C4'-P-C4' energy: -138.964
flat angles P-C4'-P energy: -87.101
tors. eta vs tors. theta energy: -204.762
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: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2162.393594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.393594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.279629 (E_RNA)
where:
Base-Base interactions energy: -1539.384
where: short stacking energy: -603.531
Base-Backbone interact. energy: -1.083
local terms energy: -637.812844
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -136.075
flat angles C4'-P-C4' energy: -128.715
flat angles P-C4'-P energy: -84.798
tors. eta vs tors. theta energy: -186.584
Dist. restrs. and SS energy: 15.886 (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: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -2105.310222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.310222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.581193 (E_RNA)
where:
Base-Base interactions energy: -1510.662
where: short stacking energy: -608.810
Base-Backbone interact. energy: -0.055
local terms energy: -604.864212
where:
bonds (distance) C4'-P energy: -84.276
bonds (distance) P-C4' energy: -130.560
flat angles C4'-P-C4' energy: -123.915
flat angles P-C4'-P energy: -79.696
tors. eta vs tors. theta energy: -186.417
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: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1897.956048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.956048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.824010 (E_RNA)
where:
Base-Base interactions energy: -1363.878
where: short stacking energy: -562.915
Base-Backbone interact. energy: -1.196
local terms energy: -561.749567
where:
bonds (distance) C4'-P energy: -93.024
bonds (distance) P-C4' energy: -115.485
flat angles C4'-P-C4' energy: -124.034
flat angles P-C4'-P energy: -80.199
tors. eta vs tors. theta energy: -149.007
Dist. restrs. and SS energy: 28.868 (S_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: 265
Temperature: 0.900000
Total energy: -2759.037599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.975279 (E_RNA)
where:
Base-Base interactions energy: -1961.375
where: short stacking energy: -809.416
Base-Backbone interact. energy: -5.571
local terms energy: -803.029732
where:
bonds (distance) C4'-P energy: -132.083
bonds (distance) P-C4' energy: -146.199
flat angles C4'-P-C4' energy: -160.247
flat angles P-C4'-P energy: -116.933
tors. eta vs tors. theta energy: -247.568
Dist. restrs. and SS energy: 10.938 (S_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: 265
Temperature: 0.950000
Total energy: -2688.895704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.895704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.604352 (E_RNA)
where:
Base-Base interactions energy: -1903.749
where: short stacking energy: -775.067
Base-Backbone interact. energy: -1.822
local terms energy: -792.033516
where:
bonds (distance) C4'-P energy: -151.215
bonds (distance) P-C4' energy: -132.863
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -111.680
tors. eta vs tors. theta energy: -233.120
Dist. restrs. and SS energy: 8.709 (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: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2631.647067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.647067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.797020 (E_RNA)
where:
Base-Base interactions energy: -1850.209
where: short stacking energy: -749.098
Base-Backbone interact. energy: -1.249
local terms energy: -781.339139
where:
bonds (distance) C4'-P energy: -139.264
bonds (distance) P-C4' energy: -140.342
flat angles C4'-P-C4' energy: -153.341
flat angles P-C4'-P energy: -111.083
tors. eta vs tors. theta energy: -237.310
Dist. restrs. and SS energy: 1.150 (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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2562.015349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.015349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.861357 (E_RNA)
where:
Base-Base interactions energy: -1812.183
where: short stacking energy: -741.939
Base-Backbone interact. energy: -3.078
local terms energy: -756.600619
where:
bonds (distance) C4'-P energy: -125.791
bonds (distance) P-C4' energy: -139.274
flat angles C4'-P-C4' energy: -159.393
flat angles P-C4'-P energy: -94.989
tors. eta vs tors. theta energy: -237.154
Dist. restrs. and SS energy: 9.846 (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: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2489.911257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.911257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.915495 (E_RNA)
where:
Base-Base interactions energy: -1737.992
where: short stacking energy: -731.953
Base-Backbone interact. energy: -0.355
local terms energy: -763.567840
where:
bonds (distance) C4'-P energy: -124.238
bonds (distance) P-C4' energy: -132.930
flat angles C4'-P-C4' energy: -163.732
flat angles P-C4'-P energy: -110.233
tors. eta vs tors. theta energy: -232.436
Dist. restrs. and SS energy: 12.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2406.142286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.142286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.416231 (E_RNA)
where:
Base-Base interactions energy: -1727.213
where: short stacking energy: -676.332
Base-Backbone interact. energy: 1.688
local terms energy: -686.891172
where:
bonds (distance) C4'-P energy: -128.161
bonds (distance) P-C4' energy: -109.158
flat angles C4'-P-C4' energy: -142.659
flat angles P-C4'-P energy: -91.966
tors. eta vs tors. theta energy: -214.948
Dist. restrs. and SS energy: 6.274 (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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2339.877137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.487879 (E_RNA)
where:
Base-Base interactions energy: -1667.020
where: short stacking energy: -671.256
Base-Backbone interact. energy: -0.146
local terms energy: -678.321717
where:
bonds (distance) C4'-P energy: -106.262
bonds (distance) P-C4' energy: -112.421
flat angles C4'-P-C4' energy: -147.760
flat angles P-C4'-P energy: -103.593
tors. eta vs tors. theta energy: -208.286
Dist. restrs. and SS energy: 5.611 (S_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: 265
Temperature: 1.250000
Total energy: -2222.739181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.739181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.020037 (E_RNA)
where:
Base-Base interactions energy: -1584.459
where: short stacking energy: -631.521
Base-Backbone interact. energy: -0.482
local terms energy: -652.078883
where:
bonds (distance) C4'-P energy: -122.688
bonds (distance) P-C4' energy: -114.244
flat angles C4'-P-C4' energy: -149.242
flat angles P-C4'-P energy: -83.325
tors. eta vs tors. theta energy: -182.580
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2136.710026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.710026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.292779 (E_RNA)
where:
Base-Base interactions energy: -1539.638
where: short stacking energy: -621.003
Base-Backbone interact. energy: -1.674
local terms energy: -612.980747
where:
bonds (distance) C4'-P energy: -114.985
bonds (distance) P-C4' energy: -106.490
flat angles C4'-P-C4' energy: -126.522
flat angles P-C4'-P energy: -75.284
tors. eta vs tors. theta energy: -189.699
Dist. restrs. and SS energy: 17.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1930.251686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.251686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.081050 (E_RNA)
where:
Base-Base interactions energy: -1341.183
where: short stacking energy: -538.666
Base-Backbone interact. energy: 7.495
local terms energy: -614.393102
where:
bonds (distance) C4'-P energy: -101.034
bonds (distance) P-C4' energy: -117.341
flat angles C4'-P-C4' energy: -141.544
flat angles P-C4'-P energy: -87.352
tors. eta vs tors. theta energy: -167.121
Dist. restrs. and SS energy: 17.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2749.525713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.525713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.312941 (E_RNA)
where:
Base-Base interactions energy: -1949.752
where: short stacking energy: -801.433
Base-Backbone interact. energy: -2.232
local terms energy: -810.328925
where:
bonds (distance) C4'-P energy: -133.242
bonds (distance) P-C4' energy: -142.551
flat angles C4'-P-C4' energy: -167.001
flat angles P-C4'-P energy: -123.036
tors. eta vs tors. theta energy: -244.500
Dist. restrs. and SS energy: 12.787 (S_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: 266
Temperature: 0.950000
Total energy: -2707.946298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.946298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.243956 (E_RNA)
where:
Base-Base interactions energy: -1931.412
where: short stacking energy: -782.151
Base-Backbone interact. energy: -4.522
local terms energy: -777.309670
where:
bonds (distance) C4'-P energy: -124.456
bonds (distance) P-C4' energy: -141.093
flat angles C4'-P-C4' energy: -166.826
flat angles P-C4'-P energy: -99.294
tors. eta vs tors. theta energy: -245.642
Dist. restrs. and SS energy: 5.298 (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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2610.780182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.780182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.001470 (E_RNA)
where:
Base-Base interactions energy: -1848.700
where: short stacking energy: -748.575
Base-Backbone interact. energy: -1.015
local terms energy: -769.286286
where:
bonds (distance) C4'-P energy: -128.426
bonds (distance) P-C4' energy: -123.911
flat angles C4'-P-C4' energy: -163.722
flat angles P-C4'-P energy: -107.164
tors. eta vs tors. theta energy: -246.064
Dist. restrs. and SS energy: 8.221 (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: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2566.000981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.000981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.218492 (E_RNA)
where:
Base-Base interactions energy: -1787.623
where: short stacking energy: -741.000
Base-Backbone interact. energy: -1.692
local terms energy: -778.903298
where:
bonds (distance) C4'-P energy: -124.663
bonds (distance) P-C4' energy: -149.239
flat angles C4'-P-C4' energy: -158.282
flat angles P-C4'-P energy: -117.171
tors. eta vs tors. theta energy: -229.548
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2456.570072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.570072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.011224 (E_RNA)
where:
Base-Base interactions energy: -1757.773
where: short stacking energy: -697.393
Base-Backbone interact. energy: -3.794
local terms energy: -704.444142
where:
bonds (distance) C4'-P energy: -111.374
bonds (distance) P-C4' energy: -118.269
flat angles C4'-P-C4' energy: -155.252
flat angles P-C4'-P energy: -101.660
tors. eta vs tors. theta energy: -217.889
Dist. restrs. and SS energy: 9.441 (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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2453.357790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.357790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.647612 (E_RNA)
where:
Base-Base interactions energy: -1773.218
where: short stacking energy: -714.925
Base-Backbone interact. energy: 0.035
local terms energy: -692.464237
where:
bonds (distance) C4'-P energy: -111.418
bonds (distance) P-C4' energy: -113.821
flat angles C4'-P-C4' energy: -134.326
flat angles P-C4'-P energy: -99.726
tors. eta vs tors. theta energy: -233.174
Dist. restrs. and SS energy: 12.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2330.100197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.100197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.717399 (E_RNA)
where:
Base-Base interactions energy: -1675.354
where: short stacking energy: -676.693
Base-Backbone interact. energy: 2.588
local terms energy: -665.951518
where:
bonds (distance) C4'-P energy: -105.245
bonds (distance) P-C4' energy: -122.381
flat angles C4'-P-C4' energy: -138.934
flat angles P-C4'-P energy: -89.994
tors. eta vs tors. theta energy: -209.397
Dist. restrs. and SS energy: 8.617 (S_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: 266
Temperature: 1.250000
Total energy: -2232.363463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.363463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.087678 (E_RNA)
where:
Base-Base interactions energy: -1600.684
where: short stacking energy: -656.781
Base-Backbone interact. energy: -0.098
local terms energy: -648.305623
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -116.833
flat angles C4'-P-C4' energy: -140.798
flat angles P-C4'-P energy: -73.248
tors. eta vs tors. theta energy: -203.207
Dist. restrs. and SS energy: 16.724 (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: 266
Temperature: 1.300000
Total energy: -2094.957497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.957497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.652910 (E_RNA)
where:
Base-Base interactions energy: -1508.285
where: short stacking energy: -591.291
Base-Backbone interact. energy: 0.984
local terms energy: -601.352295
where:
bonds (distance) C4'-P energy: -92.308
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -137.730
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -169.374
Dist. restrs. and SS energy: 13.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1987.800499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.800499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.665997 (E_RNA)
where:
Base-Base interactions energy: -1419.819
where: short stacking energy: -552.806
Base-Backbone interact. energy: -2.746
local terms energy: -575.100883
where:
bonds (distance) C4'-P energy: -101.891
bonds (distance) P-C4' energy: -110.840
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -69.426
tors. eta vs tors. theta energy: -168.091
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: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2746.420094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.420094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.086722 (E_RNA)
where:
Base-Base interactions energy: -1968.670
where: short stacking energy: -804.068
Base-Backbone interact. energy: -3.573
local terms energy: -784.843657
where:
bonds (distance) C4'-P energy: -129.300
bonds (distance) P-C4' energy: -128.278
flat angles C4'-P-C4' energy: -166.293
flat angles P-C4'-P energy: -114.600
tors. eta vs tors. theta energy: -246.373
Dist. restrs. and SS energy: 10.667 (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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2699.619456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.619456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.900016 (E_RNA)
where:
Base-Base interactions energy: -1899.729
where: short stacking energy: -777.170
Base-Backbone interact. energy: -1.455
local terms energy: -805.716640
where:
bonds (distance) C4'-P energy: -142.570
bonds (distance) P-C4' energy: -156.373
flat angles C4'-P-C4' energy: -165.700
flat angles P-C4'-P energy: -100.395
tors. eta vs tors. theta energy: -240.679
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: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2614.654203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.654203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.736679 (E_RNA)
where:
Base-Base interactions energy: -1856.219
where: short stacking energy: -766.154
Base-Backbone interact. energy: -0.365
local terms energy: -766.153455
where:
bonds (distance) C4'-P energy: -130.572
bonds (distance) P-C4' energy: -122.944
flat angles C4'-P-C4' energy: -152.055
flat angles P-C4'-P energy: -126.264
tors. eta vs tors. theta energy: -234.319
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: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2571.001330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.001330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.312129 (E_RNA)
where:
Base-Base interactions energy: -1820.303
where: short stacking energy: -736.791
Base-Backbone interact. energy: -0.990
local terms energy: -754.019614
where:
bonds (distance) C4'-P energy: -115.578
bonds (distance) P-C4' energy: -141.397
flat angles C4'-P-C4' energy: -153.665
flat angles P-C4'-P energy: -111.744
tors. eta vs tors. theta energy: -231.635
Dist. restrs. and SS energy: 4.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2430.562840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.562840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.059470 (E_RNA)
where:
Base-Base interactions energy: -1739.945
where: short stacking energy: -703.936
Base-Backbone interact. energy: -2.341
local terms energy: -696.773508
where:
bonds (distance) C4'-P energy: -108.068
bonds (distance) P-C4' energy: -134.337
flat angles C4'-P-C4' energy: -153.280
flat angles P-C4'-P energy: -89.469
tors. eta vs tors. theta energy: -211.619
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2405.809972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.809972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.780170 (E_RNA)
where:
Base-Base interactions energy: -1697.758
where: short stacking energy: -689.620
Base-Backbone interact. energy: -1.517
local terms energy: -716.505806
where:
bonds (distance) C4'-P energy: -131.018
bonds (distance) P-C4' energy: -117.735
flat angles C4'-P-C4' energy: -136.899
flat angles P-C4'-P energy: -112.209
tors. eta vs tors. theta energy: -218.644
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: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2399.374859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.374859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.506024 (E_RNA)
where:
Base-Base interactions energy: -1691.335
where: short stacking energy: -697.900
Base-Backbone interact. energy: -2.793
local terms energy: -717.378268
where:
bonds (distance) C4'-P energy: -138.398
bonds (distance) P-C4' energy: -115.071
flat angles C4'-P-C4' energy: -145.622
flat angles P-C4'-P energy: -103.822
tors. eta vs tors. theta energy: -214.465
Dist. restrs. and SS energy: 12.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2239.125915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.125915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.271607 (E_RNA)
where:
Base-Base interactions energy: -1605.638
where: short stacking energy: -641.831
Base-Backbone interact. energy: -1.313
local terms energy: -647.320466
where:
bonds (distance) C4'-P energy: -103.527
bonds (distance) P-C4' energy: -112.430
flat angles C4'-P-C4' energy: -143.748
flat angles P-C4'-P energy: -86.535
tors. eta vs tors. theta energy: -201.081
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: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -2111.706383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.706383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.384610 (E_RNA)
where:
Base-Base interactions energy: -1504.620
where: short stacking energy: -573.756
Base-Backbone interact. energy: 1.730
local terms energy: -620.494770
where:
bonds (distance) C4'-P energy: -98.280
bonds (distance) P-C4' energy: -119.477
flat angles C4'-P-C4' energy: -141.651
flat angles P-C4'-P energy: -89.839
tors. eta vs tors. theta energy: -171.247
Dist. restrs. and SS energy: 11.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1919.713279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.713279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.047830 (E_RNA)
where:
Base-Base interactions energy: -1382.250
where: short stacking energy: -577.794
Base-Backbone interact. energy: -0.030
local terms energy: -572.768343
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -102.161
flat angles C4'-P-C4' energy: -128.999
flat angles P-C4'-P energy: -91.881
tors. eta vs tors. theta energy: -158.554
Dist. restrs. and SS energy: 35.335 (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: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2741.293405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.293405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.753665 (E_RNA)
where:
Base-Base interactions energy: -1940.042
where: short stacking energy: -792.514
Base-Backbone interact. energy: -1.866
local terms energy: -810.845682
where:
bonds (distance) C4'-P energy: -137.077
bonds (distance) P-C4' energy: -151.191
flat angles C4'-P-C4' energy: -176.827
flat angles P-C4'-P energy: -107.908
tors. eta vs tors. theta energy: -237.843
Dist. restrs. and SS energy: 11.460 (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: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2701.809465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.809465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.519059 (E_RNA)
where:
Base-Base interactions energy: -1903.202
where: short stacking energy: -775.069
Base-Backbone interact. energy: -0.493
local terms energy: -803.823320
where:
bonds (distance) C4'-P energy: -140.029
bonds (distance) P-C4' energy: -140.133
flat angles C4'-P-C4' energy: -158.595
flat angles P-C4'-P energy: -122.129
tors. eta vs tors. theta energy: -242.937
Dist. restrs. and SS energy: 5.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2652.534826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.534826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.425412 (E_RNA)
where:
Base-Base interactions energy: -1864.482
where: short stacking energy: -771.421
Base-Backbone interact. energy: -4.080
local terms energy: -790.864136
where:
bonds (distance) C4'-P energy: -137.429
bonds (distance) P-C4' energy: -138.715
flat angles C4'-P-C4' energy: -157.606
flat angles P-C4'-P energy: -114.110
tors. eta vs tors. theta energy: -243.005
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2581.362991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.362991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.258980 (E_RNA)
where:
Base-Base interactions energy: -1850.046
where: short stacking energy: -753.753
Base-Backbone interact. energy: -1.730
local terms energy: -733.483028
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -125.372
flat angles C4'-P-C4' energy: -139.924
flat angles P-C4'-P energy: -110.536
tors. eta vs tors. theta energy: -231.941
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2422.018095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.018095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.747092 (E_RNA)
where:
Base-Base interactions energy: -1711.690
where: short stacking energy: -714.901
Base-Backbone interact. energy: -0.029
local terms energy: -720.027849
where:
bonds (distance) C4'-P energy: -135.642
bonds (distance) P-C4' energy: -121.665
flat angles C4'-P-C4' energy: -132.623
flat angles P-C4'-P energy: -105.497
tors. eta vs tors. theta energy: -224.600
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: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2432.583227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.583227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.760121 (E_RNA)
where:
Base-Base interactions energy: -1736.190
where: short stacking energy: -712.928
Base-Backbone interact. energy: -3.220
local terms energy: -700.350354
where:
bonds (distance) C4'-P energy: -115.575
bonds (distance) P-C4' energy: -113.870
flat angles C4'-P-C4' energy: -156.524
flat angles P-C4'-P energy: -100.285
tors. eta vs tors. theta energy: -214.097
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: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2307.317631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.317631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.584583 (E_RNA)
where:
Base-Base interactions energy: -1650.695
where: short stacking energy: -641.538
Base-Backbone interact. energy: -2.219
local terms energy: -666.670361
where:
bonds (distance) C4'-P energy: -117.975
bonds (distance) P-C4' energy: -112.280
flat angles C4'-P-C4' energy: -155.262
flat angles P-C4'-P energy: -76.251
tors. eta vs tors. theta energy: -204.903
Dist. restrs. and SS energy: 12.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2165.027304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.027304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.341847 (E_RNA)
where:
Base-Base interactions energy: -1532.164
where: short stacking energy: -612.013
Base-Backbone interact. energy: 2.647
local terms energy: -642.825674
where:
bonds (distance) C4'-P energy: -110.441
bonds (distance) P-C4' energy: -106.799
flat angles C4'-P-C4' energy: -139.515
flat angles P-C4'-P energy: -98.375
tors. eta vs tors. theta energy: -187.696
Dist. restrs. and SS energy: 7.315 (S_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: 268
Temperature: 1.300000
Total energy: -2141.016642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.016642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.421088 (E_RNA)
where:
Base-Base interactions energy: -1512.314
where: short stacking energy: -614.028
Base-Backbone interact. energy: -3.367
local terms energy: -646.740340
where:
bonds (distance) C4'-P energy: -103.391
bonds (distance) P-C4' energy: -126.183
flat angles C4'-P-C4' energy: -145.894
flat angles P-C4'-P energy: -88.360
tors. eta vs tors. theta energy: -182.912
Dist. restrs. and SS energy: 21.404 (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: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1913.583344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.583344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.560733 (E_RNA)
where:
Base-Base interactions energy: -1364.847
where: short stacking energy: -526.780
Base-Backbone interact. energy: -1.241
local terms energy: -560.472516
where:
bonds (distance) C4'-P energy: -96.013
bonds (distance) P-C4' energy: -119.928
flat angles C4'-P-C4' energy: -115.609
flat angles P-C4'-P energy: -77.893
tors. eta vs tors. theta energy: -151.029
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: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2765.958252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.958252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.719492 (E_RNA)
where:
Base-Base interactions energy: -1954.503
where: short stacking energy: -804.584
Base-Backbone interact. energy: -2.604
local terms energy: -817.612291
where:
bonds (distance) C4'-P energy: -140.075
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -168.838
flat angles P-C4'-P energy: -124.394
tors. eta vs tors. theta energy: -242.376
Dist. restrs. and SS energy: 8.761 (S_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: 269
Temperature: 0.950000
Total energy: -2689.734956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.734956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.313287 (E_RNA)
where:
Base-Base interactions energy: -1929.151
where: short stacking energy: -784.778
Base-Backbone interact. energy: -0.700
local terms energy: -768.461959
where:
bonds (distance) C4'-P energy: -120.974
bonds (distance) P-C4' energy: -118.961
flat angles C4'-P-C4' energy: -161.806
flat angles P-C4'-P energy: -119.295
tors. eta vs tors. theta energy: -247.426
Dist. restrs. and SS energy: 8.578 (S_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: 269
Temperature: 1.000000
Total energy: -2643.541805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.541805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.587264 (E_RNA)
where:
Base-Base interactions energy: -1878.894
where: short stacking energy: -753.221
Base-Backbone interact. energy: 0.622
local terms energy: -774.315418
where:
bonds (distance) C4'-P energy: -121.643
bonds (distance) P-C4' energy: -138.113
flat angles C4'-P-C4' energy: -165.965
flat angles P-C4'-P energy: -114.054
tors. eta vs tors. theta energy: -234.540
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: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2557.535101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.535101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.232726 (E_RNA)
where:
Base-Base interactions energy: -1793.203
where: short stacking energy: -742.954
Base-Backbone interact. energy: -3.751
local terms energy: -765.278498
where:
bonds (distance) C4'-P energy: -119.099
bonds (distance) P-C4' energy: -147.043
flat angles C4'-P-C4' energy: -157.134
flat angles P-C4'-P energy: -105.404
tors. eta vs tors. theta energy: -236.598
Dist. restrs. and SS energy: 4.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2455.368042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.368042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.006385 (E_RNA)
where:
Base-Base interactions energy: -1747.592
where: short stacking energy: -723.517
Base-Backbone interact. energy: 2.428
local terms energy: -726.842298
where:
bonds (distance) C4'-P energy: -125.841
bonds (distance) P-C4' energy: -142.125
flat angles C4'-P-C4' energy: -149.631
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -223.056
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: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2455.728168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.728168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.218679 (E_RNA)
where:
Base-Base interactions energy: -1727.986
where: short stacking energy: -702.371
Base-Backbone interact. energy: -0.060
local terms energy: -735.172248
where:
bonds (distance) C4'-P energy: -126.561
bonds (distance) P-C4' energy: -129.473
flat angles C4'-P-C4' energy: -149.348
flat angles P-C4'-P energy: -104.104
tors. eta vs tors. theta energy: -225.686
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: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2336.664658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.664658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.499162 (E_RNA)
where:
Base-Base interactions energy: -1675.244
where: short stacking energy: -697.101
Base-Backbone interact. energy: 11.056
local terms energy: -684.311497
where:
bonds (distance) C4'-P energy: -116.696
bonds (distance) P-C4' energy: -124.650
flat angles C4'-P-C4' energy: -142.956
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -205.129
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: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2227.677134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.677134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.773847 (E_RNA)
where:
Base-Base interactions energy: -1587.676
where: short stacking energy: -614.090
Base-Backbone interact. energy: -1.896
local terms energy: -651.202002
where:
bonds (distance) C4'-P energy: -107.491
bonds (distance) P-C4' energy: -108.161
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: -201.234
Dist. restrs. and SS energy: 13.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -2158.427033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.427033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.455468 (E_RNA)
where:
Base-Base interactions energy: -1571.504
where: short stacking energy: -631.258
Base-Backbone interact. energy: 3.170
local terms energy: -608.121258
where:
bonds (distance) C4'-P energy: -105.325
bonds (distance) P-C4' energy: -106.645
flat angles C4'-P-C4' energy: -124.522
flat angles P-C4'-P energy: -87.608
tors. eta vs tors. theta energy: -184.022
Dist. restrs. and SS energy: 18.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1961.002303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.002303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.257454 (E_RNA)
where:
Base-Base interactions energy: -1389.644
where: short stacking energy: -577.847
Base-Backbone interact. energy: -2.860
local terms energy: -591.753345
where:
bonds (distance) C4'-P energy: -106.229
bonds (distance) P-C4' energy: -121.247
flat angles C4'-P-C4' energy: -127.582
flat angles P-C4'-P energy: -70.364
tors. eta vs tors. theta energy: -166.331
Dist. restrs. and SS energy: 23.255 (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: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2763.493099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.493099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.839372 (E_RNA)
where:
Base-Base interactions energy: -1976.092
where: short stacking energy: -790.268
Base-Backbone interact. energy: 1.894
local terms energy: -801.641587
where:
bonds (distance) C4'-P energy: -145.695
bonds (distance) P-C4' energy: -135.942
flat angles C4'-P-C4' energy: -165.470
flat angles P-C4'-P energy: -120.459
tors. eta vs tors. theta energy: -234.076
Dist. restrs. and SS energy: 12.346 (S_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: 270
Temperature: 0.950000
Total energy: -2677.001526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.001526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.312323 (E_RNA)
where:
Base-Base interactions energy: -1908.404
where: short stacking energy: -782.969
Base-Backbone interact. energy: -1.758
local terms energy: -774.149661
where:
bonds (distance) C4'-P energy: -131.741
bonds (distance) P-C4' energy: -134.479
flat angles C4'-P-C4' energy: -151.906
flat angles P-C4'-P energy: -113.958
tors. eta vs tors. theta energy: -242.066
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2634.290156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.290156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.248641 (E_RNA)
where:
Base-Base interactions energy: -1851.712
where: short stacking energy: -766.553
Base-Backbone interact. energy: -0.755
local terms energy: -790.782218
where:
bonds (distance) C4'-P energy: -136.972
bonds (distance) P-C4' energy: -140.590
flat angles C4'-P-C4' energy: -163.023
flat angles P-C4'-P energy: -110.838
tors. eta vs tors. theta energy: -239.358
Dist. restrs. and SS energy: 8.958 (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: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2538.883336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.883336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.937383 (E_RNA)
where:
Base-Base interactions energy: -1781.060
where: short stacking energy: -732.799
Base-Backbone interact. energy: -1.748
local terms energy: -764.129982
where:
bonds (distance) C4'-P energy: -145.747
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -156.441
flat angles P-C4'-P energy: -108.945
tors. eta vs tors. theta energy: -226.972
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: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2482.807501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.807501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.232850 (E_RNA)
where:
Base-Base interactions energy: -1780.156
where: short stacking energy: -723.660
Base-Backbone interact. energy: 1.559
local terms energy: -711.636259
where:
bonds (distance) C4'-P energy: -105.968
bonds (distance) P-C4' energy: -121.725
flat angles C4'-P-C4' energy: -158.065
flat angles P-C4'-P energy: -101.494
tors. eta vs tors. theta energy: -224.383
Dist. restrs. and SS energy: 7.425 (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: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2441.311915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.311915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.190912 (E_RNA)
where:
Base-Base interactions energy: -1768.043
where: short stacking energy: -717.456
Base-Backbone interact. energy: -1.028
local terms energy: -676.119901
where:
bonds (distance) C4'-P energy: -120.451
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -139.916
flat angles P-C4'-P energy: -96.757
tors. eta vs tors. theta energy: -222.741
Dist. restrs. and SS energy: 3.879 (S_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: -2315.589595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.589595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.553564 (E_RNA)
where:
Base-Base interactions energy: -1636.995
where: short stacking energy: -659.992
Base-Backbone interact. energy: -2.349
local terms energy: -689.210001
where:
bonds (distance) C4'-P energy: -112.555
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -153.166
flat angles P-C4'-P energy: -102.419
tors. eta vs tors. theta energy: -208.220
Dist. restrs. and SS energy: 12.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2246.975972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.975972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.273926 (E_RNA)
where:
Base-Base interactions energy: -1627.164
where: short stacking energy: -647.776
Base-Backbone interact. energy: -1.131
local terms energy: -626.979120
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -98.343
flat angles C4'-P-C4' energy: -144.824
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -201.308
Dist. restrs. and SS energy: 8.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -2079.837885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.837885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.085457 (E_RNA)
where:
Base-Base interactions energy: -1504.598
where: short stacking energy: -597.705
Base-Backbone interact. energy: -0.113
local terms energy: -594.373844
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -100.212
flat angles C4'-P-C4' energy: -126.952
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -171.749
Dist. restrs. and SS energy: 19.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1990.082674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.082674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.395299 (E_RNA)
where:
Base-Base interactions energy: -1444.821
where: short stacking energy: -593.791
Base-Backbone interact. energy: -1.165
local terms energy: -572.408741
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -90.338
flat angles C4'-P-C4' energy: -107.189
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -182.406
Dist. restrs. and SS energy: 28.313 (S_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: 271
Temperature: 0.900000
Total energy: -2771.064180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.064180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.116129 (E_RNA)
where:
Base-Base interactions energy: -1956.334
where: short stacking energy: -784.423
Base-Backbone interact. energy: 2.345
local terms energy: -826.127148
where:
bonds (distance) C4'-P energy: -136.343
bonds (distance) P-C4' energy: -154.043
flat angles C4'-P-C4' energy: -175.376
flat angles P-C4'-P energy: -126.829
tors. eta vs tors. theta energy: -233.536
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2705.749387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.749387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.210920 (E_RNA)
where:
Base-Base interactions energy: -1918.980
where: short stacking energy: -766.058
Base-Backbone interact. energy: -4.977
local terms energy: -789.253900
where:
bonds (distance) C4'-P energy: -126.846
bonds (distance) P-C4' energy: -137.424
flat angles C4'-P-C4' energy: -169.360
flat angles P-C4'-P energy: -106.713
tors. eta vs tors. theta energy: -248.911
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2635.049235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.049235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.060403 (E_RNA)
where:
Base-Base interactions energy: -1870.641
where: short stacking energy: -764.083
Base-Backbone interact. energy: 0.347
local terms energy: -772.766387
where:
bonds (distance) C4'-P energy: -142.957
bonds (distance) P-C4' energy: -129.737
flat angles C4'-P-C4' energy: -156.729
flat angles P-C4'-P energy: -108.104
tors. eta vs tors. theta energy: -235.239
Dist. restrs. and SS energy: 8.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2552.458262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.458262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.467690 (E_RNA)
where:
Base-Base interactions energy: -1802.949
where: short stacking energy: -743.375
Base-Backbone interact. energy: -1.720
local terms energy: -760.799152
where:
bonds (distance) C4'-P energy: -120.236
bonds (distance) P-C4' energy: -128.228
flat angles C4'-P-C4' energy: -172.091
flat angles P-C4'-P energy: -108.275
tors. eta vs tors. theta energy: -231.969
Dist. restrs. and SS energy: 13.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2465.455748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.455748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.270949 (E_RNA)
where:
Base-Base interactions energy: -1782.654
where: short stacking energy: -707.715
Base-Backbone interact. energy: 1.190
local terms energy: -693.807666
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -147.909
flat angles P-C4'-P energy: -78.451
tors. eta vs tors. theta energy: -216.237
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: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2440.919267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.919267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.048003 (E_RNA)
where:
Base-Base interactions energy: -1705.480
where: short stacking energy: -689.047
Base-Backbone interact. energy: -1.809
local terms energy: -737.759829
where:
bonds (distance) C4'-P energy: -132.794
bonds (distance) P-C4' energy: -139.997
flat angles C4'-P-C4' energy: -161.811
flat angles P-C4'-P energy: -87.170
tors. eta vs tors. theta energy: -215.987
Dist. restrs. and SS energy: 4.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2356.685968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.685968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.914878 (E_RNA)
where:
Base-Base interactions energy: -1633.301
where: short stacking energy: -666.977
Base-Backbone interact. energy: 2.925
local terms energy: -737.539110
where:
bonds (distance) C4'-P energy: -140.673
bonds (distance) P-C4' energy: -124.348
flat angles C4'-P-C4' energy: -150.459
flat angles P-C4'-P energy: -102.248
tors. eta vs tors. theta energy: -219.810
Dist. restrs. and SS energy: 11.229 (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: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2168.694751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.842947 (E_RNA)
where:
Base-Base interactions energy: -1567.507
where: short stacking energy: -613.952
Base-Backbone interact. energy: -1.292
local terms energy: -617.043802
where:
bonds (distance) C4'-P energy: -105.188
bonds (distance) P-C4' energy: -109.601
flat angles C4'-P-C4' energy: -127.186
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -189.019
Dist. restrs. and SS energy: 17.148 (S_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: 271
Temperature: 1.300000
Total energy: -2077.505637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.505637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.632532 (E_RNA)
where:
Base-Base interactions energy: -1483.453
where: short stacking energy: -584.041
Base-Backbone interact. energy: -3.264
local terms energy: -609.915425
where:
bonds (distance) C4'-P energy: -111.015
bonds (distance) P-C4' energy: -118.583
flat angles C4'-P-C4' energy: -119.217
flat angles P-C4'-P energy: -80.483
tors. eta vs tors. theta energy: -180.618
Dist. restrs. and SS energy: 19.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1960.349213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.349213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.895778 (E_RNA)
where:
Base-Base interactions energy: -1393.426
where: short stacking energy: -550.714
Base-Backbone interact. energy: 1.148
local terms energy: -589.617165
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -120.034
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -84.885
tors. eta vs tors. theta energy: -160.098
Dist. restrs. and SS energy: 21.547 (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: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2758.959105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.959105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.137909 (E_RNA)
where:
Base-Base interactions energy: -1977.039
where: short stacking energy: -790.869
Base-Backbone interact. energy: -2.962
local terms energy: -786.136390
where:
bonds (distance) C4'-P energy: -132.326
bonds (distance) P-C4' energy: -143.615
flat angles C4'-P-C4' energy: -160.453
flat angles P-C4'-P energy: -110.810
tors. eta vs tors. theta energy: -238.933
Dist. restrs. and SS energy: 7.179 (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: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2700.510442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.510442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.903334 (E_RNA)
where:
Base-Base interactions energy: -1921.105
where: short stacking energy: -780.043
Base-Backbone interact. energy: -5.254
local terms energy: -780.544305
where:
bonds (distance) C4'-P energy: -128.027
bonds (distance) P-C4' energy: -138.272
flat angles C4'-P-C4' energy: -166.935
flat angles P-C4'-P energy: -102.150
tors. eta vs tors. theta energy: -245.161
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2626.668865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.668865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.014062 (E_RNA)
where:
Base-Base interactions energy: -1871.479
where: short stacking energy: -786.109
Base-Backbone interact. energy: -0.984
local terms energy: -764.551624
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -121.751
flat angles C4'-P-C4' energy: -160.571
flat angles P-C4'-P energy: -112.351
tors. eta vs tors. theta energy: -241.599
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: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2573.045989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.045989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.857951 (E_RNA)
where:
Base-Base interactions energy: -1834.967
where: short stacking energy: -761.260
Base-Backbone interact. energy: 0.396
local terms energy: -747.286879
where:
bonds (distance) C4'-P energy: -118.839
bonds (distance) P-C4' energy: -138.883
flat angles C4'-P-C4' energy: -166.307
flat angles P-C4'-P energy: -107.244
tors. eta vs tors. theta energy: -216.014
Dist. restrs. and SS energy: 8.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2490.011982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.011982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.958253 (E_RNA)
where:
Base-Base interactions energy: -1745.699
where: short stacking energy: -724.119
Base-Backbone interact. energy: -2.385
local terms energy: -748.874341
where:
bonds (distance) C4'-P energy: -130.249
bonds (distance) P-C4' energy: -118.591
flat angles C4'-P-C4' energy: -165.237
flat angles P-C4'-P energy: -105.690
tors. eta vs tors. theta energy: -229.107
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: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2435.032906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.032906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.136097 (E_RNA)
where:
Base-Base interactions energy: -1770.313
where: short stacking energy: -725.055
Base-Backbone interact. energy: -2.342
local terms energy: -666.480880
where:
bonds (distance) C4'-P energy: -109.312
bonds (distance) P-C4' energy: -111.043
flat angles C4'-P-C4' energy: -135.005
flat angles P-C4'-P energy: -101.884
tors. eta vs tors. theta energy: -209.237
Dist. restrs. and SS energy: 4.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2308.290743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.290743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.158136 (E_RNA)
where:
Base-Base interactions energy: -1633.777
where: short stacking energy: -665.127
Base-Backbone interact. energy: 0.187
local terms energy: -687.568345
where:
bonds (distance) C4'-P energy: -127.178
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -137.783
flat angles P-C4'-P energy: -106.032
tors. eta vs tors. theta energy: -199.996
Dist. restrs. and SS energy: 12.867 (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: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2191.347073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.347073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.575146 (E_RNA)
where:
Base-Base interactions energy: -1565.485
where: short stacking energy: -612.638
Base-Backbone interact. energy: -1.600
local terms energy: -635.490347
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -103.456
flat angles C4'-P-C4' energy: -134.898
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -188.777
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: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -2091.104545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.104545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.241876 (E_RNA)
where:
Base-Base interactions energy: -1504.965
where: short stacking energy: -626.745
Base-Backbone interact. energy: 5.872
local terms energy: -611.148663
where:
bonds (distance) C4'-P energy: -98.211
bonds (distance) P-C4' energy: -110.754
flat angles C4'-P-C4' energy: -139.495
flat angles P-C4'-P energy: -77.274
tors. eta vs tors. theta energy: -185.414
Dist. restrs. and SS energy: 19.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1941.558878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.558878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.724289 (E_RNA)
where:
Base-Base interactions energy: -1364.041
where: short stacking energy: -563.795
Base-Backbone interact. energy: 0.329
local terms energy: -600.012452
where:
bonds (distance) C4'-P energy: -113.658
bonds (distance) P-C4' energy: -134.329
flat angles C4'-P-C4' energy: -127.091
flat angles P-C4'-P energy: -67.503
tors. eta vs tors. theta energy: -157.431
Dist. restrs. and SS energy: 22.165 (S_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: 273
Temperature: 0.900000
Total energy: -2742.549471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.549471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.418768 (E_RNA)
where:
Base-Base interactions energy: -1952.811
where: short stacking energy: -770.405
Base-Backbone interact. energy: -3.638
local terms energy: -794.969501
where:
bonds (distance) C4'-P energy: -132.279
bonds (distance) P-C4' energy: -145.501
flat angles C4'-P-C4' energy: -169.360
flat angles P-C4'-P energy: -114.956
tors. eta vs tors. theta energy: -232.873
Dist. restrs. and SS energy: 8.869 (S_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: 273
Temperature: 0.950000
Total energy: -2730.792873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.792873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.324028 (E_RNA)
where:
Base-Base interactions energy: -1926.645
where: short stacking energy: -774.791
Base-Backbone interact. energy: -4.989
local terms energy: -803.689885
where:
bonds (distance) C4'-P energy: -132.893
bonds (distance) P-C4' energy: -135.253
flat angles C4'-P-C4' energy: -170.109
flat angles P-C4'-P energy: -120.466
tors. eta vs tors. theta energy: -244.970
Dist. restrs. and SS energy: 4.531 (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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2608.903617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.903617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.208737 (E_RNA)
where:
Base-Base interactions energy: -1852.943
where: short stacking energy: -742.576
Base-Backbone interact. energy: -2.607
local terms energy: -761.657826
where:
bonds (distance) C4'-P energy: -129.056
bonds (distance) P-C4' energy: -135.103
flat angles C4'-P-C4' energy: -144.514
flat angles P-C4'-P energy: -116.437
tors. eta vs tors. theta energy: -236.549
Dist. restrs. and SS energy: 8.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2558.545305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.545305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.514326 (E_RNA)
where:
Base-Base interactions energy: -1806.981
where: short stacking energy: -738.244
Base-Backbone interact. energy: -2.048
local terms energy: -757.486286
where:
bonds (distance) C4'-P energy: -127.278
bonds (distance) P-C4' energy: -132.695
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -105.132
tors. eta vs tors. theta energy: -232.046
Dist. restrs. and SS energy: 7.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2487.734594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.734594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.449443 (E_RNA)
where:
Base-Base interactions energy: -1761.688
where: short stacking energy: -715.702
Base-Backbone interact. energy: -1.563
local terms energy: -732.198222
where:
bonds (distance) C4'-P energy: -138.193
bonds (distance) P-C4' energy: -122.314
flat angles C4'-P-C4' energy: -147.585
flat angles P-C4'-P energy: -100.003
tors. eta vs tors. theta energy: -224.104
Dist. restrs. and SS energy: 7.715 (S_DIST_RNA)
chem. 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: -2401.353167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.353167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.380115 (E_RNA)
where:
Base-Base interactions energy: -1725.348
where: short stacking energy: -699.391
Base-Backbone interact. energy: 0.014
local terms energy: -680.045997
where:
bonds (distance) C4'-P energy: -116.735
bonds (distance) P-C4' energy: -98.521
flat angles C4'-P-C4' energy: -152.552
flat angles P-C4'-P energy: -103.364
tors. eta vs tors. theta energy: -208.873
Dist. restrs. and SS energy: 4.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2327.751324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.751324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.265701 (E_RNA)
where:
Base-Base interactions energy: -1606.463
where: short stacking energy: -640.677
Base-Backbone interact. energy: -1.281
local terms energy: -731.522230
where:
bonds (distance) C4'-P energy: -129.768
bonds (distance) P-C4' energy: -134.275
flat angles C4'-P-C4' energy: -154.006
flat angles P-C4'-P energy: -97.364
tors. eta vs tors. theta energy: -216.109
Dist. restrs. and SS energy: 11.514 (S_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: 273
Temperature: 1.250000
Total energy: -2171.036169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.036169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.523223 (E_RNA)
where:
Base-Base interactions energy: -1554.184
where: short stacking energy: -645.151
Base-Backbone interact. energy: -1.349
local terms energy: -630.990429
where:
bonds (distance) C4'-P energy: -101.203
bonds (distance) P-C4' energy: -113.599
flat angles C4'-P-C4' energy: -133.758
flat angles P-C4'-P energy: -94.204
tors. eta vs tors. theta energy: -188.227
Dist. restrs. and SS energy: 15.487 (S_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: 273
Temperature: 1.300000
Total energy: -2082.049635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.049635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.330405 (E_RNA)
where:
Base-Base interactions energy: -1480.141
where: short stacking energy: -590.785
Base-Backbone interact. energy: -0.878
local terms energy: -617.311722
where:
bonds (distance) C4'-P energy: -112.576
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -125.436
flat angles P-C4'-P energy: -87.530
tors. eta vs tors. theta energy: -183.153
Dist. restrs. and SS energy: 16.281 (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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1975.699065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.699065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.978317 (E_RNA)
where:
Base-Base interactions energy: -1422.072
where: short stacking energy: -563.863
Base-Backbone interact. energy: -1.990
local terms energy: -572.916630
where:
bonds (distance) C4'-P energy: -89.956
bonds (distance) P-C4' energy: -111.405
flat angles C4'-P-C4' energy: -126.347
flat angles P-C4'-P energy: -85.829
tors. eta vs tors. theta energy: -159.380
Dist. restrs. and SS energy: 21.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2738.899155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.899155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.645123 (E_RNA)
where:
Base-Base interactions energy: -1921.734
where: short stacking energy: -775.005
Base-Backbone interact. energy: -5.022
local terms energy: -816.888895
where:
bonds (distance) C4'-P energy: -142.954
bonds (distance) P-C4' energy: -148.996
flat angles C4'-P-C4' energy: -168.453
flat angles P-C4'-P energy: -119.482
tors. eta vs tors. theta energy: -237.004
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: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2711.576504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.576504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.996055 (E_RNA)
where:
Base-Base interactions energy: -1942.828
where: short stacking energy: -794.584
Base-Backbone interact. energy: -2.535
local terms energy: -776.632725
where:
bonds (distance) C4'-P energy: -115.158
bonds (distance) P-C4' energy: -129.460
flat angles C4'-P-C4' energy: -163.130
flat angles P-C4'-P energy: -119.611
tors. eta vs tors. theta energy: -249.274
Dist. restrs. and SS energy: 10.420 (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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2626.091110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.091110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.637897 (E_RNA)
where:
Base-Base interactions energy: -1861.467
where: short stacking energy: -767.196
Base-Backbone interact. energy: -2.159
local terms energy: -771.011873
where:
bonds (distance) C4'-P energy: -146.487
bonds (distance) P-C4' energy: -118.154
flat angles C4'-P-C4' energy: -161.358
flat angles P-C4'-P energy: -111.620
tors. eta vs tors. theta energy: -233.393
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2594.035123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.035123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.613877 (E_RNA)
where:
Base-Base interactions energy: -1847.278
where: short stacking energy: -755.803
Base-Backbone interact. energy: 2.215
local terms energy: -755.551004
where:
bonds (distance) C4'-P energy: -129.055
bonds (distance) P-C4' energy: -114.343
flat angles C4'-P-C4' energy: -157.239
flat angles P-C4'-P energy: -118.678
tors. eta vs tors. theta energy: -236.235
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: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2481.037301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.037301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.805993 (E_RNA)
where:
Base-Base interactions energy: -1756.047
where: short stacking energy: -693.567
Base-Backbone interact. energy: -1.285
local terms energy: -730.473697
where:
bonds (distance) C4'-P energy: -139.214
bonds (distance) P-C4' energy: -141.330
flat angles C4'-P-C4' energy: -142.745
flat angles P-C4'-P energy: -90.800
tors. eta vs tors. theta energy: -216.386
Dist. restrs. and SS energy: 6.769 (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: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2435.036884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.036884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.556816 (E_RNA)
where:
Base-Base interactions energy: -1717.298
where: short stacking energy: -695.412
Base-Backbone interact. energy: -1.859
local terms energy: -719.399943
where:
bonds (distance) C4'-P energy: -117.108
bonds (distance) P-C4' energy: -140.906
flat angles C4'-P-C4' energy: -141.705
flat angles P-C4'-P energy: -108.313
tors. eta vs tors. theta energy: -211.369
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: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2355.819031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.819031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.217797 (E_RNA)
where:
Base-Base interactions energy: -1669.862
where: short stacking energy: -664.494
Base-Backbone interact. energy: -1.497
local terms energy: -694.858669
where:
bonds (distance) C4'-P energy: -129.228
bonds (distance) P-C4' energy: -116.465
flat angles C4'-P-C4' energy: -136.022
flat angles P-C4'-P energy: -101.991
tors. eta vs tors. theta energy: -211.152
Dist. restrs. and SS energy: 10.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2191.905579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.905579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.957540 (E_RNA)
where:
Base-Base interactions energy: -1542.331
where: short stacking energy: -617.520
Base-Backbone interact. energy: -0.427
local terms energy: -662.198968
where:
bonds (distance) C4'-P energy: -110.370
bonds (distance) P-C4' energy: -101.717
flat angles C4'-P-C4' energy: -159.731
flat angles P-C4'-P energy: -91.176
tors. eta vs tors. theta energy: -199.206
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -2096.665640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.665640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.141470 (E_RNA)
where:
Base-Base interactions energy: -1495.849
where: short stacking energy: -560.867
Base-Backbone interact. energy: -0.974
local terms energy: -615.318892
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -126.859
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -83.512
tors. eta vs tors. theta energy: -170.215
Dist. restrs. and SS energy: 15.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1989.398650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.398650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.868050 (E_RNA)
where:
Base-Base interactions energy: -1431.346
where: short stacking energy: -579.188
Base-Backbone interact. energy: -1.262
local terms energy: -575.260007
where:
bonds (distance) C4'-P energy: -104.405
bonds (distance) P-C4' energy: -88.501
flat angles C4'-P-C4' energy: -126.071
flat angles P-C4'-P energy: -86.699
tors. eta vs tors. theta energy: -169.585
Dist. restrs. and SS energy: 18.469 (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: 275
Temperature: 0.900000
Total energy: -2782.841647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.841647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.495016 (E_RNA)
where:
Base-Base interactions energy: -1989.665
where: short stacking energy: -824.069
Base-Backbone interact. energy: -0.777
local terms energy: -796.052541
where:
bonds (distance) C4'-P energy: -126.761
bonds (distance) P-C4' energy: -141.543
flat angles C4'-P-C4' energy: -170.184
flat angles P-C4'-P energy: -107.809
tors. eta vs tors. theta energy: -249.756
Dist. restrs. and SS energy: 3.653 (S_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: 275
Temperature: 0.950000
Total energy: -2710.494481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.494481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.521417 (E_RNA)
where:
Base-Base interactions energy: -1926.166
where: short stacking energy: -786.371
Base-Backbone interact. energy: -3.494
local terms energy: -789.861764
where:
bonds (distance) C4'-P energy: -146.121
bonds (distance) P-C4' energy: -134.946
flat angles C4'-P-C4' energy: -152.243
flat angles P-C4'-P energy: -116.466
tors. eta vs tors. theta energy: -240.086
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2648.076413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.076413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.589806 (E_RNA)
where:
Base-Base interactions energy: -1864.063
where: short stacking energy: -754.357
Base-Backbone interact. energy: -1.557
local terms energy: -789.969729
where:
bonds (distance) C4'-P energy: -144.745
bonds (distance) P-C4' energy: -147.543
flat angles C4'-P-C4' energy: -153.093
flat angles P-C4'-P energy: -114.672
tors. eta vs tors. theta energy: -229.917
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: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2574.859717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.859717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.343768 (E_RNA)
where:
Base-Base interactions energy: -1847.219
where: short stacking energy: -755.316
Base-Backbone interact. energy: -2.132
local terms energy: -732.993160
where:
bonds (distance) C4'-P energy: -104.500
bonds (distance) P-C4' energy: -124.649
flat angles C4'-P-C4' energy: -151.983
flat angles P-C4'-P energy: -118.010
tors. eta vs tors. theta energy: -233.851
Dist. restrs. and SS energy: 7.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2481.629891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.629891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.506892 (E_RNA)
where:
Base-Base interactions energy: -1756.873
where: short stacking energy: -702.149
Base-Backbone interact. energy: 0.561
local terms energy: -731.195042
where:
bonds (distance) C4'-P energy: -130.880
bonds (distance) P-C4' energy: -117.463
flat angles C4'-P-C4' energy: -158.959
flat angles P-C4'-P energy: -114.971
tors. eta vs tors. theta energy: -208.922
Dist. restrs. and SS energy: 5.877 (S_DIST_RNA)
chem. 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: -2413.266214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.266214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.240863 (E_RNA)
where:
Base-Base interactions energy: -1725.411
where: short stacking energy: -682.333
Base-Backbone interact. energy: 1.622
local terms energy: -693.452071
where:
bonds (distance) C4'-P energy: -115.341
bonds (distance) P-C4' energy: -116.562
flat angles C4'-P-C4' energy: -147.866
flat angles P-C4'-P energy: -108.002
tors. eta vs tors. theta energy: -205.682
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2306.591027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.591027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.007159 (E_RNA)
where:
Base-Base interactions energy: -1659.295
where: short stacking energy: -653.679
Base-Backbone interact. energy: -2.445
local terms energy: -660.267018
where:
bonds (distance) C4'-P energy: -110.882
bonds (distance) P-C4' energy: -125.427
flat angles C4'-P-C4' energy: -137.922
flat angles P-C4'-P energy: -94.411
tors. eta vs tors. theta energy: -191.625
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: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2187.079311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.079311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.090869 (E_RNA)
where:
Base-Base interactions energy: -1549.973
where: short stacking energy: -637.681
Base-Backbone interact. energy: -1.264
local terms energy: -650.853753
where:
bonds (distance) C4'-P energy: -110.828
bonds (distance) P-C4' energy: -119.353
flat angles C4'-P-C4' energy: -144.305
flat angles P-C4'-P energy: -91.558
tors. eta vs tors. theta energy: -184.810
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: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -2089.443373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.443373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.662555 (E_RNA)
where:
Base-Base interactions energy: -1499.069
where: short stacking energy: -601.014
Base-Backbone interact. energy: -1.470
local terms energy: -599.122729
where:
bonds (distance) C4'-P energy: -124.546
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -120.742
flat angles P-C4'-P energy: -87.289
tors. eta vs tors. theta energy: -176.221
Dist. restrs. and SS energy: 10.219 (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: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1975.548557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.548557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.640294 (E_RNA)
where:
Base-Base interactions energy: -1398.220
where: short stacking energy: -561.807
Base-Backbone interact. energy: 3.403
local terms energy: -593.823789
where:
bonds (distance) C4'-P energy: -114.408
bonds (distance) P-C4' energy: -107.063
flat angles C4'-P-C4' energy: -124.996
flat angles P-C4'-P energy: -81.714
tors. eta vs tors. theta energy: -165.642
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: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2745.183874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.183874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.722010 (E_RNA)
where:
Base-Base interactions energy: -1933.144
where: short stacking energy: -803.067
Base-Backbone interact. energy: -0.954
local terms energy: -822.624012
where:
bonds (distance) C4'-P energy: -141.372
bonds (distance) P-C4' energy: -148.607
flat angles C4'-P-C4' energy: -169.725
flat angles P-C4'-P energy: -115.289
tors. eta vs tors. theta energy: -247.630
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2733.166098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.166098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.650649 (E_RNA)
where:
Base-Base interactions energy: -1934.568
where: short stacking energy: -782.238
Base-Backbone interact. energy: -2.745
local terms energy: -801.337786
where:
bonds (distance) C4'-P energy: -136.357
bonds (distance) P-C4' energy: -132.118
flat angles C4'-P-C4' energy: -165.479
flat angles P-C4'-P energy: -126.687
tors. eta vs tors. theta energy: -240.696
Dist. restrs. and SS energy: 5.485 (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: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2638.116766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.116766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.045902 (E_RNA)
where:
Base-Base interactions energy: -1869.841
where: short stacking energy: -768.055
Base-Backbone interact. energy: -1.902
local terms energy: -773.303455
where:
bonds (distance) C4'-P energy: -126.740
bonds (distance) P-C4' energy: -128.966
flat angles C4'-P-C4' energy: -168.466
flat angles P-C4'-P energy: -104.053
tors. eta vs tors. theta energy: -245.078
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: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2564.670304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.670304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.087744 (E_RNA)
where:
Base-Base interactions energy: -1808.866
where: short stacking energy: -740.039
Base-Backbone interact. energy: -2.031
local terms energy: -762.190872
where:
bonds (distance) C4'-P energy: -145.056
bonds (distance) P-C4' energy: -119.036
flat angles C4'-P-C4' energy: -160.159
flat angles P-C4'-P energy: -98.974
tors. eta vs tors. theta energy: -238.966
Dist. restrs. and SS energy: 8.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2460.268345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.268345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.602562 (E_RNA)
where:
Base-Base interactions energy: -1747.880
where: short stacking energy: -718.664
Base-Backbone interact. energy: -3.239
local terms energy: -717.483170
where:
bonds (distance) C4'-P energy: -114.130
bonds (distance) P-C4' energy: -134.575
flat angles C4'-P-C4' energy: -148.027
flat angles P-C4'-P energy: -100.503
tors. eta vs tors. theta energy: -220.249
Dist. restrs. and SS energy: 8.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2377.218537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.218537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.980849 (E_RNA)
where:
Base-Base interactions energy: -1664.778
where: short stacking energy: -676.472
Base-Backbone interact. energy: 1.707
local terms energy: -716.910519
where:
bonds (distance) C4'-P energy: -117.713
bonds (distance) P-C4' energy: -132.593
flat angles C4'-P-C4' energy: -153.569
flat angles P-C4'-P energy: -108.413
tors. eta vs tors. theta energy: -204.622
Dist. restrs. and SS energy: 2.762 (S_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: -2290.459480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.459480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.532575 (E_RNA)
where:
Base-Base interactions energy: -1616.621
where: short stacking energy: -661.745
Base-Backbone interact. energy: -1.442
local terms energy: -680.470196
where:
bonds (distance) C4'-P energy: -114.854
bonds (distance) P-C4' energy: -132.794
flat angles C4'-P-C4' energy: -145.022
flat angles P-C4'-P energy: -90.267
tors. eta vs tors. theta energy: -197.533
Dist. restrs. and SS energy: 8.073 (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: 276
Temperature: 1.250000
Total energy: -2174.454200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.454200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.125222 (E_RNA)
where:
Base-Base interactions energy: -1569.162
where: short stacking energy: -645.865
Base-Backbone interact. energy: -3.584
local terms energy: -615.378699
where:
bonds (distance) C4'-P energy: -109.504
bonds (distance) P-C4' energy: -94.640
flat angles C4'-P-C4' energy: -132.185
flat angles P-C4'-P energy: -94.310
tors. eta vs tors. theta energy: -184.740
Dist. restrs. and SS energy: 13.671 (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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -2109.571475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.571475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.471170 (E_RNA)
where:
Base-Base interactions energy: -1506.739
where: short stacking energy: -600.153
Base-Backbone interact. energy: -1.127
local terms energy: -619.604820
where:
bonds (distance) C4'-P energy: -115.711
bonds (distance) P-C4' energy: -113.374
flat angles C4'-P-C4' energy: -134.329
flat angles P-C4'-P energy: -90.733
tors. eta vs tors. theta energy: -165.458
Dist. restrs. and SS energy: 17.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1927.170548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.170548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.505834 (E_RNA)
where:
Base-Base interactions energy: -1381.060
where: short stacking energy: -538.855
Base-Backbone interact. energy: 1.801
local terms energy: -567.246995
where:
bonds (distance) C4'-P energy: -100.926
bonds (distance) P-C4' energy: -108.971
flat angles C4'-P-C4' energy: -115.521
flat angles P-C4'-P energy: -83.350
tors. eta vs tors. theta energy: -158.479
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: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2779.642468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.642468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.546593 (E_RNA)
where:
Base-Base interactions energy: -1953.541
where: short stacking energy: -805.917
Base-Backbone interact. energy: -2.255
local terms energy: -833.751167
where:
bonds (distance) C4'-P energy: -155.357
bonds (distance) P-C4' energy: -131.939
flat angles C4'-P-C4' energy: -173.054
flat angles P-C4'-P energy: -125.881
tors. eta vs tors. theta energy: -247.519
Dist. restrs. and SS energy: 9.904 (S_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: 277
Temperature: 0.950000
Total energy: -2723.111543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.111543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.796111 (E_RNA)
where:
Base-Base interactions energy: -1927.738
where: short stacking energy: -780.798
Base-Backbone interact. energy: -3.213
local terms energy: -795.845271
where:
bonds (distance) C4'-P energy: -138.436
bonds (distance) P-C4' energy: -140.312
flat angles C4'-P-C4' energy: -161.516
flat angles P-C4'-P energy: -105.693
tors. eta vs tors. theta energy: -249.888
Dist. restrs. and SS energy: 3.685 (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: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2617.754730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.754730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.555428 (E_RNA)
where:
Base-Base interactions energy: -1858.647
where: short stacking energy: -769.456
Base-Backbone interact. energy: 4.865
local terms energy: -770.772660
where:
bonds (distance) C4'-P energy: -131.721
bonds (distance) P-C4' energy: -129.036
flat angles C4'-P-C4' energy: -156.451
flat angles P-C4'-P energy: -108.896
tors. eta vs tors. theta energy: -244.667
Dist. restrs. and SS energy: 6.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2576.531248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.531248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.221458 (E_RNA)
where:
Base-Base interactions energy: -1825.575
where: short stacking energy: -736.516
Base-Backbone interact. energy: -1.454
local terms energy: -758.192873
where:
bonds (distance) C4'-P energy: -136.937
bonds (distance) P-C4' energy: -133.825
flat angles C4'-P-C4' energy: -148.318
flat angles P-C4'-P energy: -113.718
tors. eta vs tors. theta energy: -225.393
Dist. restrs. and SS energy: 8.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2475.902247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.902247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.677499 (E_RNA)
where:
Base-Base interactions energy: -1748.185
where: short stacking energy: -717.873
Base-Backbone interact. energy: -2.925
local terms energy: -731.568102
where:
bonds (distance) C4'-P energy: -121.690
bonds (distance) P-C4' energy: -132.386
flat angles C4'-P-C4' energy: -151.933
flat angles P-C4'-P energy: -94.499
tors. eta vs tors. theta energy: -231.060
Dist. restrs. and SS energy: 6.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2387.577915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.577915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.629716 (E_RNA)
where:
Base-Base interactions energy: -1704.129
where: short stacking energy: -692.727
Base-Backbone interact. energy: 1.782
local terms energy: -690.281920
where:
bonds (distance) C4'-P energy: -126.684
bonds (distance) P-C4' energy: -114.435
flat angles C4'-P-C4' energy: -142.653
flat angles P-C4'-P energy: -97.325
tors. eta vs tors. theta energy: -209.185
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: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2357.912251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.912251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.585796 (E_RNA)
where:
Base-Base interactions energy: -1667.966
where: short stacking energy: -663.819
Base-Backbone interact. energy: -1.126
local terms energy: -698.494293
where:
bonds (distance) C4'-P energy: -116.802
bonds (distance) P-C4' energy: -117.648
flat angles C4'-P-C4' energy: -157.824
flat angles P-C4'-P energy: -94.502
tors. eta vs tors. theta energy: -211.719
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: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2183.318985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.318985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.246556 (E_RNA)
where:
Base-Base interactions energy: -1554.180
where: short stacking energy: -624.828
Base-Backbone interact. energy: -1.164
local terms energy: -640.902649
where:
bonds (distance) C4'-P energy: -115.721
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -145.939
flat angles P-C4'-P energy: -79.709
tors. eta vs tors. theta energy: -189.068
Dist. restrs. and SS energy: 12.928 (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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -2082.900929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.900929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.650805 (E_RNA)
where:
Base-Base interactions energy: -1477.954
where: short stacking energy: -583.435
Base-Backbone interact. energy: -2.513
local terms energy: -618.184458
where:
bonds (distance) C4'-P energy: -102.726
bonds (distance) P-C4' energy: -111.017
flat angles C4'-P-C4' energy: -136.152
flat angles P-C4'-P energy: -93.852
tors. eta vs tors. theta energy: -174.437
Dist. restrs. and SS energy: 15.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1885.904785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.904785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.736482 (E_RNA)
where:
Base-Base interactions energy: -1356.523
where: short stacking energy: -550.779
Base-Backbone interact. energy: -1.071
local terms energy: -557.142989
where:
bonds (distance) C4'-P energy: -121.382
bonds (distance) P-C4' energy: -119.083
flat angles C4'-P-C4' energy: -110.812
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -157.062
Dist. restrs. and SS energy: 28.832 (S_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: 278
Temperature: 0.900000
Total energy: -2766.297335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.297335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.453446 (E_RNA)
where:
Base-Base interactions energy: -1946.712
where: short stacking energy: -792.963
Base-Backbone interact. energy: -1.784
local terms energy: -826.957433
where:
bonds (distance) C4'-P energy: -140.862
bonds (distance) P-C4' energy: -146.761
flat angles C4'-P-C4' energy: -171.177
flat angles P-C4'-P energy: -126.764
tors. eta vs tors. theta energy: -241.393
Dist. restrs. and SS energy: 9.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2704.756796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.756796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.197229 (E_RNA)
where:
Base-Base interactions energy: -1905.834
where: short stacking energy: -787.487
Base-Backbone interact. energy: -1.589
local terms energy: -799.774347
where:
bonds (distance) C4'-P energy: -134.637
bonds (distance) P-C4' energy: -140.368
flat angles C4'-P-C4' energy: -178.297
flat angles P-C4'-P energy: -107.054
tors. eta vs tors. theta energy: -239.419
Dist. restrs. and SS energy: 2.440 (S_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: 278
Temperature: 1.000000
Total energy: -2584.978139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.978139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.309211 (E_RNA)
where:
Base-Base interactions energy: -1820.590
where: short stacking energy: -762.479
Base-Backbone interact. energy: -1.447
local terms energy: -771.272534
where:
bonds (distance) C4'-P energy: -127.087
bonds (distance) P-C4' energy: -126.736
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -112.607
tors. eta vs tors. theta energy: -240.103
Dist. restrs. and SS energy: 8.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2600.367886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.367886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.849917 (E_RNA)
where:
Base-Base interactions energy: -1843.188
where: short stacking energy: -759.500
Base-Backbone interact. energy: -1.134
local terms energy: -767.527660
where:
bonds (distance) C4'-P energy: -122.305
bonds (distance) P-C4' energy: -145.147
flat angles C4'-P-C4' energy: -165.052
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -239.612
Dist. restrs. and SS energy: 11.482 (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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2469.967387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.967387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.859847 (E_RNA)
where:
Base-Base interactions energy: -1719.596
where: short stacking energy: -673.858
Base-Backbone interact. energy: -1.836
local terms energy: -752.427071
where:
bonds (distance) C4'-P energy: -136.068
bonds (distance) P-C4' energy: -127.148
flat angles C4'-P-C4' energy: -152.038
flat angles P-C4'-P energy: -113.857
tors. eta vs tors. theta energy: -223.316
Dist. restrs. and SS energy: 3.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2370.308599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.308599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.663317 (E_RNA)
where:
Base-Base interactions energy: -1698.350
where: short stacking energy: -677.092
Base-Backbone interact. energy: -1.328
local terms energy: -674.985997
where:
bonds (distance) C4'-P energy: -119.095
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -141.211
flat angles P-C4'-P energy: -90.866
tors. eta vs tors. theta energy: -200.596
Dist. restrs. and SS energy: 4.355 (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: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2328.024955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.024955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.102399 (E_RNA)
where:
Base-Base interactions energy: -1652.547
where: short stacking energy: -683.330
Base-Backbone interact. energy: -2.678
local terms energy: -689.878147
where:
bonds (distance) C4'-P energy: -110.798
bonds (distance) P-C4' energy: -119.504
flat angles C4'-P-C4' energy: -150.415
flat angles P-C4'-P energy: -85.498
tors. eta vs tors. theta energy: -223.662
Dist. restrs. and SS energy: 17.077 (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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -2212.035890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.035890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.117931 (E_RNA)
where:
Base-Base interactions energy: -1577.792
where: short stacking energy: -643.928
Base-Backbone interact. energy: -2.775
local terms energy: -638.551039
where:
bonds (distance) C4'-P energy: -108.000
bonds (distance) P-C4' energy: -116.427
flat angles C4'-P-C4' energy: -127.472
flat angles P-C4'-P energy: -84.743
tors. eta vs tors. theta energy: -201.909
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: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -2093.560496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.560496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.369834 (E_RNA)
where:
Base-Base interactions energy: -1504.145
where: short stacking energy: -596.833
Base-Backbone interact. energy: -4.082
local terms energy: -593.142288
where:
bonds (distance) C4'-P energy: -116.658
bonds (distance) P-C4' energy: -101.624
flat angles C4'-P-C4' energy: -115.751
flat angles P-C4'-P energy: -92.933
tors. eta vs tors. theta energy: -166.175
Dist. restrs. and SS energy: 7.809 (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: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1876.122398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.122398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.549489 (E_RNA)
where:
Base-Base interactions energy: -1361.985
where: short stacking energy: -541.923
Base-Backbone interact. energy: 2.703
local terms energy: -547.266919
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -94.977
flat angles C4'-P-C4' energy: -123.923
flat angles P-C4'-P energy: -71.786
tors. eta vs tors. theta energy: -143.728
Dist. restrs. and SS energy: 30.427 (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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2751.904162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.904162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.868380 (E_RNA)
where:
Base-Base interactions energy: -1945.809
where: short stacking energy: -795.336
Base-Backbone interact. energy: -0.736
local terms energy: -816.323241
where:
bonds (distance) C4'-P energy: -145.589
bonds (distance) P-C4' energy: -142.684
flat angles C4'-P-C4' energy: -171.998
flat angles P-C4'-P energy: -119.271
tors. eta vs tors. theta energy: -236.781
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: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2701.201434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.201434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.419967 (E_RNA)
where:
Base-Base interactions energy: -1943.112
where: short stacking energy: -800.319
Base-Backbone interact. energy: 2.719
local terms energy: -764.026863
where:
bonds (distance) C4'-P energy: -143.254
bonds (distance) P-C4' energy: -125.151
flat angles C4'-P-C4' energy: -145.829
flat angles P-C4'-P energy: -103.332
tors. eta vs tors. theta energy: -246.461
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2625.206968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.206968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.313508 (E_RNA)
where:
Base-Base interactions energy: -1861.030
where: short stacking energy: -772.497
Base-Backbone interact. energy: 0.223
local terms energy: -771.506487
where:
bonds (distance) C4'-P energy: -129.878
bonds (distance) P-C4' energy: -136.202
flat angles C4'-P-C4' energy: -159.529
flat angles P-C4'-P energy: -110.115
tors. eta vs tors. theta energy: -235.782
Dist. restrs. and SS energy: 7.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2562.336287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.336287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.979936 (E_RNA)
where:
Base-Base interactions energy: -1807.792
where: short stacking energy: -739.779
Base-Backbone interact. energy: -1.578
local terms energy: -760.609325
where:
bonds (distance) C4'-P energy: -110.327
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -162.902
flat angles P-C4'-P energy: -127.977
tors. eta vs tors. theta energy: -232.238
Dist. restrs. and SS energy: 7.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2475.922690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.922690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.624230 (E_RNA)
where:
Base-Base interactions energy: -1757.854
where: short stacking energy: -672.479
Base-Backbone interact. energy: -0.384
local terms energy: -726.386230
where:
bonds (distance) C4'-P energy: -132.091
bonds (distance) P-C4' energy: -122.578
flat angles C4'-P-C4' energy: -148.745
flat angles P-C4'-P energy: -104.011
tors. eta vs tors. theta energy: -218.962
Dist. restrs. and SS energy: 8.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2392.332506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.332506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.038540 (E_RNA)
where:
Base-Base interactions energy: -1686.432
where: short stacking energy: -680.716
Base-Backbone interact. energy: -2.547
local terms energy: -712.060271
where:
bonds (distance) C4'-P energy: -144.570
bonds (distance) P-C4' energy: -101.866
flat angles C4'-P-C4' energy: -142.819
flat angles P-C4'-P energy: -106.362
tors. eta vs tors. theta energy: -216.443
Dist. restrs. and SS energy: 8.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2323.915474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.915474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.358194 (E_RNA)
where:
Base-Base interactions energy: -1643.136
where: short stacking energy: -646.426
Base-Backbone interact. energy: 0.727
local terms energy: -683.948443
where:
bonds (distance) C4'-P energy: -130.224
bonds (distance) P-C4' energy: -125.882
flat angles C4'-P-C4' energy: -141.346
flat angles P-C4'-P energy: -86.409
tors. eta vs tors. theta energy: -200.087
Dist. restrs. and SS energy: 2.443 (S_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: 279
Temperature: 1.250000
Total energy: -2186.205780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.205780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.621781 (E_RNA)
where:
Base-Base interactions energy: -1534.334
where: short stacking energy: -607.225
Base-Backbone interact. energy: -0.107
local terms energy: -669.180251
where:
bonds (distance) C4'-P energy: -140.915
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -155.446
flat angles P-C4'-P energy: -85.145
tors. eta vs tors. theta energy: -191.395
Dist. restrs. and SS energy: 17.416 (S_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: 279
Temperature: 1.300000
Total energy: -2097.917155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.917155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.165602 (E_RNA)
where:
Base-Base interactions energy: -1544.881
where: short stacking energy: -616.896
Base-Backbone interact. energy: 2.867
local terms energy: -571.151451
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -108.866
flat angles C4'-P-C4' energy: -130.996
flat angles P-C4'-P energy: -81.822
tors. eta vs tors. theta energy: -179.037
Dist. restrs. and SS energy: 15.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1908.612197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.612197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.189295 (E_RNA)
where:
Base-Base interactions energy: -1365.373
where: short stacking energy: -530.042
Base-Backbone interact. energy: 0.859
local terms energy: -572.675229
where:
bonds (distance) C4'-P energy: -135.080
bonds (distance) P-C4' energy: -104.975
flat angles C4'-P-C4' energy: -115.304
flat angles P-C4'-P energy: -80.726
tors. eta vs tors. theta energy: -136.590
Dist. restrs. and SS energy: 28.577 (S_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: 280
Temperature: 0.900000
Total energy: -2771.028310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.028310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.644215 (E_RNA)
where:
Base-Base interactions energy: -1961.463
where: short stacking energy: -791.529
Base-Backbone interact. energy: -2.754
local terms energy: -808.426942
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -141.691
flat angles C4'-P-C4' energy: -171.616
flat angles P-C4'-P energy: -122.832
tors. eta vs tors. theta energy: -245.933
Dist. restrs. and SS energy: 1.616 (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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2726.325168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.325168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.588759 (E_RNA)
where:
Base-Base interactions energy: -1941.257
where: short stacking energy: -794.246
Base-Backbone interact. energy: -2.766
local terms energy: -793.565387
where:
bonds (distance) C4'-P energy: -135.442
bonds (distance) P-C4' energy: -145.535
flat angles C4'-P-C4' energy: -159.014
flat angles P-C4'-P energy: -119.197
tors. eta vs tors. theta energy: -234.377
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2609.189226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.189226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.784475 (E_RNA)
where:
Base-Base interactions energy: -1842.575
where: short stacking energy: -769.643
Base-Backbone interact. energy: -2.060
local terms energy: -771.149533
where:
bonds (distance) C4'-P energy: -133.998
bonds (distance) P-C4' energy: -135.139
flat angles C4'-P-C4' energy: -162.242
flat angles P-C4'-P energy: -111.908
tors. eta vs tors. theta energy: -227.862
Dist. restrs. and SS energy: 6.595 (S_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: 280
Temperature: 1.050000
Total energy: -2601.158468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.158468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.986600 (E_RNA)
where:
Base-Base interactions energy: -1850.397
where: short stacking energy: -774.265
Base-Backbone interact. energy: -2.034
local terms energy: -755.555739
where:
bonds (distance) C4'-P energy: -127.373
bonds (distance) P-C4' energy: -141.789
flat angles C4'-P-C4' energy: -147.678
flat angles P-C4'-P energy: -105.875
tors. eta vs tors. theta energy: -232.841
Dist. restrs. and SS energy: 6.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2472.786540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.786540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.103553 (E_RNA)
where:
Base-Base interactions energy: -1747.138
where: short stacking energy: -692.891
Base-Backbone interact. energy: -2.079
local terms energy: -731.885903
where:
bonds (distance) C4'-P energy: -127.918
bonds (distance) P-C4' energy: -127.055
flat angles C4'-P-C4' energy: -146.688
flat angles P-C4'-P energy: -107.283
tors. eta vs tors. theta energy: -222.942
Dist. restrs. and SS energy: 8.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2360.000304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.000304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.453499 (E_RNA)
where:
Base-Base interactions energy: -1676.069
where: short stacking energy: -676.857
Base-Backbone interact. energy: -0.557
local terms energy: -687.826707
where:
bonds (distance) C4'-P energy: -135.519
bonds (distance) P-C4' energy: -133.306
flat angles C4'-P-C4' energy: -129.993
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -212.567
Dist. restrs. and SS energy: 4.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2391.721174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.721174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.644761 (E_RNA)
where:
Base-Base interactions energy: -1684.898
where: short stacking energy: -678.436
Base-Backbone interact. energy: -0.419
local terms energy: -710.327252
where:
bonds (distance) C4'-P energy: -133.712
bonds (distance) P-C4' energy: -123.955
flat angles C4'-P-C4' energy: -153.178
flat angles P-C4'-P energy: -91.569
tors. eta vs tors. theta energy: -207.914
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: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2205.518113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.518113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.658395 (E_RNA)
where:
Base-Base interactions energy: -1589.941
where: short stacking energy: -659.279
Base-Backbone interact. energy: -0.767
local terms energy: -619.950343
where:
bonds (distance) C4'-P energy: -110.873
bonds (distance) P-C4' energy: -97.992
flat angles C4'-P-C4' energy: -128.447
flat angles P-C4'-P energy: -83.862
tors. eta vs tors. theta energy: -198.777
Dist. restrs. and SS energy: 5.140 (S_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: 280
Temperature: 1.300000
Total energy: -2078.772722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.772722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.666894 (E_RNA)
where:
Base-Base interactions energy: -1497.110
where: short stacking energy: -601.920
Base-Backbone interact. energy: 1.885
local terms energy: -598.441522
where:
bonds (distance) C4'-P energy: -103.600
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -127.505
flat angles P-C4'-P energy: -80.789
tors. eta vs tors. theta energy: -191.424
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: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1897.388770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.388770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.393519 (E_RNA)
where:
Base-Base interactions energy: -1338.949
where: short stacking energy: -565.181
Base-Backbone interact. energy: 1.612
local terms energy: -578.056086
where:
bonds (distance) C4'-P energy: -103.870
bonds (distance) P-C4' energy: -101.836
flat angles C4'-P-C4' energy: -137.664
flat angles P-C4'-P energy: -71.818
tors. eta vs tors. theta energy: -162.868
Dist. restrs. and SS energy: 18.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2736.102709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.102709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.636146 (E_RNA)
where:
Base-Base interactions energy: -1936.172
where: short stacking energy: -786.476
Base-Backbone interact. energy: -1.242
local terms energy: -800.221482
where:
bonds (distance) C4'-P energy: -132.570
bonds (distance) P-C4' energy: -142.239
flat angles C4'-P-C4' energy: -174.050
flat angles P-C4'-P energy: -108.343
tors. eta vs tors. theta energy: -243.020
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2675.804124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.804124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.507710 (E_RNA)
where:
Base-Base interactions energy: -1896.802
where: short stacking energy: -776.099
Base-Backbone interact. energy: -0.815
local terms energy: -785.890625
where:
bonds (distance) C4'-P energy: -141.731
bonds (distance) P-C4' energy: -134.409
flat angles C4'-P-C4' energy: -167.601
flat angles P-C4'-P energy: -106.921
tors. eta vs tors. theta energy: -235.228
Dist. restrs. and SS energy: 7.704 (S_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: 281
Temperature: 1.000000
Total energy: -2633.572125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.572125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.054353 (E_RNA)
where:
Base-Base interactions energy: -1902.720
where: short stacking energy: -780.410
Base-Backbone interact. energy: -0.375
local terms energy: -739.959937
where:
bonds (distance) C4'-P energy: -105.687
bonds (distance) P-C4' energy: -124.666
flat angles C4'-P-C4' energy: -160.701
flat angles P-C4'-P energy: -105.755
tors. eta vs tors. theta energy: -243.151
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: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2563.863326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.863326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.289438 (E_RNA)
where:
Base-Base interactions energy: -1803.538
where: short stacking energy: -746.297
Base-Backbone interact. energy: -3.281
local terms energy: -765.469611
where:
bonds (distance) C4'-P energy: -127.792
bonds (distance) P-C4' energy: -124.363
flat angles C4'-P-C4' energy: -158.840
flat angles P-C4'-P energy: -118.281
tors. eta vs tors. theta energy: -236.194
Dist. restrs. and SS energy: 8.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2459.606234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.606234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.251072 (E_RNA)
where:
Base-Base interactions energy: -1762.434
where: short stacking energy: -722.797
Base-Backbone interact. energy: -3.563
local terms energy: -699.254212
where:
bonds (distance) C4'-P energy: -113.001
bonds (distance) P-C4' energy: -114.822
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -95.256
tors. eta vs tors. theta energy: -215.589
Dist. restrs. and SS energy: 5.645 (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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2424.825224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.825224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.933896 (E_RNA)
where:
Base-Base interactions energy: -1712.717
where: short stacking energy: -681.718
Base-Backbone interact. energy: -1.559
local terms energy: -713.657882
where:
bonds (distance) C4'-P energy: -126.753
bonds (distance) P-C4' energy: -129.804
flat angles C4'-P-C4' energy: -145.095
flat angles P-C4'-P energy: -103.596
tors. eta vs tors. theta energy: -208.409
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: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2299.952430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.952430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.764906 (E_RNA)
where:
Base-Base interactions energy: -1666.288
where: short stacking energy: -664.324
Base-Backbone interact. energy: -0.170
local terms energy: -645.307227
where:
bonds (distance) C4'-P energy: -109.624
bonds (distance) P-C4' energy: -91.362
flat angles C4'-P-C4' energy: -149.774
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -213.073
Dist. restrs. and SS energy: 11.812 (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: 281
Temperature: 1.250000
Total energy: -2221.372976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.372976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.181126 (E_RNA)
where:
Base-Base interactions energy: -1578.268
where: short stacking energy: -622.781
Base-Backbone interact. energy: -1.107
local terms energy: -653.806316
where:
bonds (distance) C4'-P energy: -122.787
bonds (distance) P-C4' energy: -123.308
flat angles C4'-P-C4' energy: -128.789
flat angles P-C4'-P energy: -88.508
tors. eta vs tors. theta energy: -190.413
Dist. restrs. and SS energy: 11.808 (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: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -2067.893334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.893334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.251249 (E_RNA)
where:
Base-Base interactions energy: -1475.395
where: short stacking energy: -586.817
Base-Backbone interact. energy: -0.353
local terms energy: -602.503198
where:
bonds (distance) C4'-P energy: -92.689
bonds (distance) P-C4' energy: -115.722
flat angles C4'-P-C4' energy: -134.995
flat angles P-C4'-P energy: -92.482
tors. eta vs tors. theta energy: -166.614
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: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1883.742185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.742185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.826143 (E_RNA)
where:
Base-Base interactions energy: -1320.707
where: short stacking energy: -542.590
Base-Backbone interact. energy: -2.091
local terms energy: -588.028320
where:
bonds (distance) C4'-P energy: -121.840
bonds (distance) P-C4' energy: -99.717
flat angles C4'-P-C4' energy: -129.838
flat angles P-C4'-P energy: -67.539
tors. eta vs tors. theta energy: -169.094
Dist. restrs. and SS energy: 27.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2777.654976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.654976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.686497 (E_RNA)
where:
Base-Base interactions energy: -1955.408
where: short stacking energy: -801.574
Base-Backbone interact. energy: -2.517
local terms energy: -822.761866
where:
bonds (distance) C4'-P energy: -143.365
bonds (distance) P-C4' energy: -146.213
flat angles C4'-P-C4' energy: -168.001
flat angles P-C4'-P energy: -114.394
tors. eta vs tors. theta energy: -250.788
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: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2668.530738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.530738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.921591 (E_RNA)
where:
Base-Base interactions energy: -1879.308
where: short stacking energy: -776.434
Base-Backbone interact. energy: -1.511
local terms energy: -797.102934
where:
bonds (distance) C4'-P energy: -133.919
bonds (distance) P-C4' energy: -142.656
flat angles C4'-P-C4' energy: -160.816
flat angles P-C4'-P energy: -120.093
tors. eta vs tors. theta energy: -239.620
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: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2648.962488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.962488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.238239 (E_RNA)
where:
Base-Base interactions energy: -1858.680
where: short stacking energy: -775.175
Base-Backbone interact. energy: 0.634
local terms energy: -799.192366
where:
bonds (distance) C4'-P energy: -140.391
bonds (distance) P-C4' energy: -134.031
flat angles C4'-P-C4' energy: -164.487
flat angles P-C4'-P energy: -121.891
tors. eta vs tors. theta energy: -238.393
Dist. restrs. and SS energy: 8.276 (S_DIST_RNA)
chem. 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: -2582.723628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.723628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.962682 (E_RNA)
where:
Base-Base interactions energy: -1865.757
where: short stacking energy: -772.115
Base-Backbone interact. energy: -3.376
local terms energy: -721.828848
where:
bonds (distance) C4'-P energy: -122.617
bonds (distance) P-C4' energy: -99.333
flat angles C4'-P-C4' energy: -163.691
flat angles P-C4'-P energy: -93.879
tors. eta vs tors. theta energy: -242.309
Dist. restrs. and SS energy: 8.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2465.112508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.112508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.969611 (E_RNA)
where:
Base-Base interactions energy: -1764.851
where: short stacking energy: -719.576
Base-Backbone interact. energy: -1.493
local terms energy: -703.626494
where:
bonds (distance) C4'-P energy: -114.043
bonds (distance) P-C4' energy: -119.615
flat angles C4'-P-C4' energy: -151.340
flat angles P-C4'-P energy: -102.281
tors. eta vs tors. theta energy: -216.347
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: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2456.374577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.374577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.580252 (E_RNA)
where:
Base-Base interactions energy: -1753.022
where: short stacking energy: -691.019
Base-Backbone interact. energy: -1.912
local terms energy: -708.646352
where:
bonds (distance) C4'-P energy: -102.151
bonds (distance) P-C4' energy: -122.803
flat angles C4'-P-C4' energy: -156.001
flat angles P-C4'-P energy: -104.128
tors. eta vs tors. theta energy: -223.565
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: 282
Temperature: 1.200000
Total energy: -2305.600477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.600477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.326225 (E_RNA)
where:
Base-Base interactions energy: -1620.826
where: short stacking energy: -636.816
Base-Backbone interact. energy: -3.442
local terms energy: -691.058856
where:
bonds (distance) C4'-P energy: -124.555
bonds (distance) P-C4' energy: -126.998
flat angles C4'-P-C4' energy: -142.244
flat angles P-C4'-P energy: -87.157
tors. eta vs tors. theta energy: -210.106
Dist. restrs. and SS energy: 9.726 (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: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2106.718830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.718830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.137544 (E_RNA)
where:
Base-Base interactions energy: -1503.021
where: short stacking energy: -599.318
Base-Backbone interact. energy: 6.220
local terms energy: -624.336182
where:
bonds (distance) C4'-P energy: -103.925
bonds (distance) P-C4' energy: -113.878
flat angles C4'-P-C4' energy: -136.164
flat angles P-C4'-P energy: -71.420
tors. eta vs tors. theta energy: -198.948
Dist. restrs. and SS energy: 14.419 (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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -2063.504075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.504075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.075089 (E_RNA)
where:
Base-Base interactions energy: -1476.466
where: short stacking energy: -595.728
Base-Backbone interact. energy: -0.000
local terms energy: -602.609395
where:
bonds (distance) C4'-P energy: -112.139
bonds (distance) P-C4' energy: -102.129
flat angles C4'-P-C4' energy: -135.166
flat angles P-C4'-P energy: -80.743
tors. eta vs tors. theta energy: -172.433
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: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1918.049555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.049555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.725601 (E_RNA)
where:
Base-Base interactions energy: -1354.944
where: short stacking energy: -534.365
Base-Backbone interact. energy: 0.398
local terms energy: -584.179523
where:
bonds (distance) C4'-P energy: -112.383
bonds (distance) P-C4' energy: -91.377
flat angles C4'-P-C4' energy: -129.925
flat angles P-C4'-P energy: -81.451
tors. eta vs tors. theta energy: -169.044
Dist. restrs. and SS energy: 20.676 (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: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2743.981667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.981667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.845384 (E_RNA)
where:
Base-Base interactions energy: -1941.974
where: short stacking energy: -804.660
Base-Backbone interact. energy: -1.025
local terms energy: -803.846805
where:
bonds (distance) C4'-P energy: -138.549
bonds (distance) P-C4' energy: -135.163
flat angles C4'-P-C4' energy: -173.210
flat angles P-C4'-P energy: -111.937
tors. eta vs tors. theta energy: -244.989
Dist. restrs. and SS energy: 2.864 (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: 283
Temperature: 0.950000
Total energy: -2672.083112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.083112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.802763 (E_RNA)
where:
Base-Base interactions energy: -1910.329
where: short stacking energy: -776.027
Base-Backbone interact. energy: -0.453
local terms energy: -767.020273
where:
bonds (distance) C4'-P energy: -120.317
bonds (distance) P-C4' energy: -148.952
flat angles C4'-P-C4' energy: -153.730
flat angles P-C4'-P energy: -100.097
tors. eta vs tors. theta energy: -243.925
Dist. restrs. and SS energy: 5.720 (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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2616.226629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.591382 (E_RNA)
where:
Base-Base interactions energy: -1838.354
where: short stacking energy: -739.956
Base-Backbone interact. energy: -2.587
local terms energy: -782.650372
where:
bonds (distance) C4'-P energy: -138.800
bonds (distance) P-C4' energy: -136.318
flat angles C4'-P-C4' energy: -160.250
flat angles P-C4'-P energy: -116.852
tors. eta vs tors. theta energy: -230.430
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: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2582.520843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.520843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.790175 (E_RNA)
where:
Base-Base interactions energy: -1851.103
where: short stacking energy: -754.175
Base-Backbone interact. energy: -2.163
local terms energy: -739.524081
where:
bonds (distance) C4'-P energy: -125.942
bonds (distance) P-C4' energy: -125.021
flat angles C4'-P-C4' energy: -152.116
flat angles P-C4'-P energy: -101.622
tors. eta vs tors. theta energy: -234.822
Dist. restrs. and SS energy: 10.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2469.714368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.714368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.734028 (E_RNA)
where:
Base-Base interactions energy: -1749.614
where: short stacking energy: -716.189
Base-Backbone interact. energy: -2.156
local terms energy: -725.963874
where:
bonds (distance) C4'-P energy: -121.937
bonds (distance) P-C4' energy: -126.838
flat angles C4'-P-C4' energy: -152.314
flat angles P-C4'-P energy: -99.166
tors. eta vs tors. theta energy: -225.708
Dist. restrs. and SS energy: 8.020 (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: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2430.390222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.390222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.688365 (E_RNA)
where:
Base-Base interactions energy: -1721.227
where: short stacking energy: -682.544
Base-Backbone interact. energy: 2.217
local terms energy: -714.677938
where:
bonds (distance) C4'-P energy: -117.817
bonds (distance) P-C4' energy: -120.355
flat angles C4'-P-C4' energy: -157.612
flat angles P-C4'-P energy: -101.834
tors. eta vs tors. theta energy: -217.061
Dist. restrs. and SS energy: 3.298 (S_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: 283
Temperature: 1.200000
Total energy: -2264.881741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.881741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.444530 (E_RNA)
where:
Base-Base interactions energy: -1627.024
where: short stacking energy: -654.810
Base-Backbone interact. energy: -0.257
local terms energy: -656.164294
where:
bonds (distance) C4'-P energy: -98.665
bonds (distance) P-C4' energy: -111.964
flat angles C4'-P-C4' energy: -153.634
flat angles P-C4'-P energy: -85.810
tors. eta vs tors. theta energy: -206.091
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: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2160.398312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.398312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.049667 (E_RNA)
where:
Base-Base interactions energy: -1534.644
where: short stacking energy: -606.219
Base-Backbone interact. energy: -0.594
local terms energy: -637.811842
where:
bonds (distance) C4'-P energy: -95.807
bonds (distance) P-C4' energy: -109.155
flat angles C4'-P-C4' energy: -152.307
flat angles P-C4'-P energy: -95.424
tors. eta vs tors. theta energy: -185.119
Dist. restrs. and SS energy: 12.651 (S_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: 283
Temperature: 1.300000
Total energy: -2074.528395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.528395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.553846 (E_RNA)
where:
Base-Base interactions energy: -1481.451
where: short stacking energy: -588.945
Base-Backbone interact. energy: 1.401
local terms energy: -612.503468
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -106.860
flat angles C4'-P-C4' energy: -149.936
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -184.087
Dist. restrs. and SS energy: 18.025 (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: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1916.748628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.748628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.927911 (E_RNA)
where:
Base-Base interactions energy: -1374.352
where: short stacking energy: -551.266
Base-Backbone interact. energy: -1.042
local terms energy: -573.533637
where:
bonds (distance) C4'-P energy: -115.193
bonds (distance) P-C4' energy: -113.848
flat angles C4'-P-C4' energy: -121.119
flat angles P-C4'-P energy: -70.105
tors. eta vs tors. theta energy: -153.268
Dist. restrs. and SS energy: 32.179 (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: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2785.800105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.800105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.773847 (E_RNA)
where:
Base-Base interactions energy: -1964.461
where: short stacking energy: -839.712
Base-Backbone interact. energy: -0.832
local terms energy: -822.480301
where:
bonds (distance) C4'-P energy: -127.442
bonds (distance) P-C4' energy: -142.319
flat angles C4'-P-C4' energy: -172.997
flat angles P-C4'-P energy: -125.856
tors. eta vs tors. theta energy: -253.866
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: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2663.129877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.129877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.907827 (E_RNA)
where:
Base-Base interactions energy: -1883.837
where: short stacking energy: -790.438
Base-Backbone interact. energy: -1.112
local terms energy: -787.958697
where:
bonds (distance) C4'-P energy: -132.784
bonds (distance) P-C4' energy: -143.398
flat angles C4'-P-C4' energy: -158.749
flat angles P-C4'-P energy: -109.794
tors. eta vs tors. theta energy: -243.234
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2639.185604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.185604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.694102 (E_RNA)
where:
Base-Base interactions energy: -1847.281
where: short stacking energy: -742.677
Base-Backbone interact. energy: 0.779
local terms energy: -798.192092
where:
bonds (distance) C4'-P energy: -135.504
bonds (distance) P-C4' energy: -144.296
flat angles C4'-P-C4' energy: -166.730
flat angles P-C4'-P energy: -117.071
tors. eta vs tors. theta energy: -234.591
Dist. restrs. and SS energy: 5.508 (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: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2589.658895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.658895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.074967 (E_RNA)
where:
Base-Base interactions energy: -1836.420
where: short stacking energy: -750.143
Base-Backbone interact. energy: -2.052
local terms energy: -764.602742
where:
bonds (distance) C4'-P energy: -125.122
bonds (distance) P-C4' energy: -136.669
flat angles C4'-P-C4' energy: -158.578
flat angles P-C4'-P energy: -107.053
tors. eta vs tors. theta energy: -237.181
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: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2483.011470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.011470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.477468 (E_RNA)
where:
Base-Base interactions energy: -1774.771
where: short stacking energy: -704.270
Base-Backbone interact. energy: 1.113
local terms energy: -713.820127
where:
bonds (distance) C4'-P energy: -130.035
bonds (distance) P-C4' energy: -116.094
flat angles C4'-P-C4' energy: -154.612
flat angles P-C4'-P energy: -108.802
tors. eta vs tors. theta energy: -204.276
Dist. restrs. and SS energy: 4.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2478.470274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.470274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.843617 (E_RNA)
where:
Base-Base interactions energy: -1808.955
where: short stacking energy: -720.378
Base-Backbone interact. energy: -2.159
local terms energy: -670.729978
where:
bonds (distance) C4'-P energy: -93.291
bonds (distance) P-C4' energy: -102.754
flat angles C4'-P-C4' energy: -155.545
flat angles P-C4'-P energy: -93.824
tors. eta vs tors. theta energy: -225.316
Dist. restrs. and SS energy: 3.373 (S_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: 284
Temperature: 1.200000
Total energy: -2315.606304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.835945 (E_RNA)
where:
Base-Base interactions energy: -1672.725
where: short stacking energy: -676.807
Base-Backbone interact. energy: -2.615
local terms energy: -650.495592
where:
bonds (distance) C4'-P energy: -107.354
bonds (distance) P-C4' energy: -110.741
flat angles C4'-P-C4' energy: -135.250
flat angles P-C4'-P energy: -79.884
tors. eta vs tors. theta energy: -217.267
Dist. restrs. and SS energy: 10.230 (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: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2178.446759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.446759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.436179 (E_RNA)
where:
Base-Base interactions energy: -1544.296
where: short stacking energy: -614.041
Base-Backbone interact. energy: -0.434
local terms energy: -646.706317
where:
bonds (distance) C4'-P energy: -106.562
bonds (distance) P-C4' energy: -128.751
flat angles C4'-P-C4' energy: -145.274
flat angles P-C4'-P energy: -91.069
tors. eta vs tors. theta energy: -175.051
Dist. restrs. and SS energy: 12.989 (S_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: 284
Temperature: 1.300000
Total energy: -2073.585825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.585825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.046532 (E_RNA)
where:
Base-Base interactions energy: -1487.936
where: short stacking energy: -585.096
Base-Backbone interact. energy: -2.936
local terms energy: -592.175100
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -113.277
flat angles C4'-P-C4' energy: -112.679
flat angles P-C4'-P energy: -78.050
tors. eta vs tors. theta energy: -178.614
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: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1922.469096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.469096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.744336 (E_RNA)
where:
Base-Base interactions energy: -1371.421
where: short stacking energy: -544.412
Base-Backbone interact. energy: 0.061
local terms energy: -573.384035
where:
bonds (distance) C4'-P energy: -107.351
bonds (distance) P-C4' energy: -108.105
flat angles C4'-P-C4' energy: -126.936
flat angles P-C4'-P energy: -68.347
tors. eta vs tors. theta energy: -162.646
Dist. restrs. and SS energy: 22.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2743.972267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.912357 (E_RNA)
where:
Base-Base interactions energy: -1925.652
where: short stacking energy: -784.878
Base-Backbone interact. energy: -1.698
local terms energy: -819.562383
where:
bonds (distance) C4'-P energy: -153.093
bonds (distance) P-C4' energy: -151.962
flat angles C4'-P-C4' energy: -163.846
flat angles P-C4'-P energy: -110.691
tors. eta vs tors. theta energy: -239.970
Dist. restrs. and SS energy: 2.940 (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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2681.913863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.913863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.363629 (E_RNA)
where:
Base-Base interactions energy: -1901.520
where: short stacking energy: -767.016
Base-Backbone interact. energy: -2.677
local terms energy: -785.166664
where:
bonds (distance) C4'-P energy: -132.449
bonds (distance) P-C4' energy: -131.639
flat angles C4'-P-C4' energy: -170.466
flat angles P-C4'-P energy: -111.861
tors. eta vs tors. theta energy: -238.751
Dist. restrs. and SS energy: 7.450 (S_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: 285
Temperature: 1.000000
Total energy: -2633.374590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.374590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.326457 (E_RNA)
where:
Base-Base interactions energy: -1865.224
where: short stacking energy: -766.371
Base-Backbone interact. energy: -2.948
local terms energy: -774.154554
where:
bonds (distance) C4'-P energy: -129.960
bonds (distance) P-C4' energy: -134.769
flat angles C4'-P-C4' energy: -166.151
flat angles P-C4'-P energy: -97.518
tors. eta vs tors. theta energy: -245.756
Dist. restrs. and SS energy: 8.952 (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: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2594.744791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.744791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.413468 (E_RNA)
where:
Base-Base interactions energy: -1856.471
where: short stacking energy: -770.106
Base-Backbone interact. energy: -1.616
local terms energy: -749.326269
where:
bonds (distance) C4'-P energy: -124.603
bonds (distance) P-C4' energy: -120.763
flat angles C4'-P-C4' energy: -166.109
flat angles P-C4'-P energy: -100.083
tors. eta vs tors. theta energy: -237.770
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2453.310324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.310324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.840769 (E_RNA)
where:
Base-Base interactions energy: -1758.159
where: short stacking energy: -711.144
Base-Backbone interact. energy: 1.004
local terms energy: -701.685913
where:
bonds (distance) C4'-P energy: -114.446
bonds (distance) P-C4' energy: -118.620
flat angles C4'-P-C4' energy: -157.277
flat angles P-C4'-P energy: -97.763
tors. eta vs tors. theta energy: -213.580
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: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2423.617494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.050185 (E_RNA)
where:
Base-Base interactions energy: -1725.579
where: short stacking energy: -699.846
Base-Backbone interact. energy: 0.842
local terms energy: -703.313688
where:
bonds (distance) C4'-P energy: -96.364
bonds (distance) P-C4' energy: -130.908
flat angles C4'-P-C4' energy: -154.385
flat angles P-C4'-P energy: -104.539
tors. eta vs tors. theta energy: -217.117
Dist. restrs. and SS energy: 4.433 (S_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: -2307.322103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.322103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.001099 (E_RNA)
where:
Base-Base interactions energy: -1614.566
where: short stacking energy: -661.626
Base-Backbone interact. energy: -2.812
local terms energy: -700.622719
where:
bonds (distance) C4'-P energy: -116.790
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -142.890
flat angles P-C4'-P energy: -110.461
tors. eta vs tors. theta energy: -218.322
Dist. restrs. and SS energy: 10.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2192.232643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.232643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.991550 (E_RNA)
where:
Base-Base interactions energy: -1574.509
where: short stacking energy: -634.958
Base-Backbone interact. energy: -2.262
local terms energy: -628.220765
where:
bonds (distance) C4'-P energy: -99.959
bonds (distance) P-C4' energy: -120.760
flat angles C4'-P-C4' energy: -134.999
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -189.539
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: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -2129.014766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.014766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.778714 (E_RNA)
where:
Base-Base interactions energy: -1515.792
where: short stacking energy: -631.008
Base-Backbone interact. energy: -0.794
local terms energy: -625.193631
where:
bonds (distance) C4'-P energy: -97.001
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -141.965
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -189.587
Dist. restrs. and SS energy: 12.764 (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: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1908.148401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.148401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.256970 (E_RNA)
where:
Base-Base interactions energy: -1354.668
where: short stacking energy: -560.589
Base-Backbone interact. energy: -1.325
local terms energy: -581.263808
where:
bonds (distance) C4'-P energy: -107.497
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -129.364
flat angles P-C4'-P energy: -74.323
tors. eta vs tors. theta energy: -164.620
Dist. restrs. and SS energy: 29.109 (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: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2745.897973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.897973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.683871 (E_RNA)
where:
Base-Base interactions energy: -1951.232
where: short stacking energy: -796.528
Base-Backbone interact. energy: -1.070
local terms energy: -798.381144
where:
bonds (distance) C4'-P energy: -134.810
bonds (distance) P-C4' energy: -145.647
flat angles C4'-P-C4' energy: -155.756
flat angles P-C4'-P energy: -112.863
tors. eta vs tors. theta energy: -249.305
Dist. restrs. and SS energy: 4.786 (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: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2679.697346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.697346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.395820 (E_RNA)
where:
Base-Base interactions energy: -1906.697
where: short stacking energy: -759.018
Base-Backbone interact. energy: -1.848
local terms energy: -776.850502
where:
bonds (distance) C4'-P energy: -151.365
bonds (distance) P-C4' energy: -130.645
flat angles C4'-P-C4' energy: -161.298
flat angles P-C4'-P energy: -104.328
tors. eta vs tors. theta energy: -229.214
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: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2627.998975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.998975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.858960 (E_RNA)
where:
Base-Base interactions energy: -1860.183
where: short stacking energy: -764.903
Base-Backbone interact. energy: -2.164
local terms energy: -773.511611
where:
bonds (distance) C4'-P energy: -150.055
bonds (distance) P-C4' energy: -124.216
flat angles C4'-P-C4' energy: -159.837
flat angles P-C4'-P energy: -104.823
tors. eta vs tors. theta energy: -234.581
Dist. restrs. and SS energy: 7.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2631.932450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.555577 (E_RNA)
where:
Base-Base interactions energy: -1879.651
where: short stacking energy: -762.833
Base-Backbone interact. energy: 0.024
local terms energy: -765.928596
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -123.742
flat angles C4'-P-C4' energy: -164.037
flat angles P-C4'-P energy: -110.623
tors. eta vs tors. theta energy: -241.387
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: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2420.846685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.846685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.217856 (E_RNA)
where:
Base-Base interactions energy: -1711.982
where: short stacking energy: -685.931
Base-Backbone interact. energy: -1.928
local terms energy: -710.307913
where:
bonds (distance) C4'-P energy: -118.783
bonds (distance) P-C4' energy: -120.731
flat angles C4'-P-C4' energy: -159.250
flat angles P-C4'-P energy: -106.432
tors. eta vs tors. theta energy: -205.112
Dist. restrs. and SS energy: 3.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2453.090257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.090257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.365321 (E_RNA)
where:
Base-Base interactions energy: -1727.931
where: short stacking energy: -720.850
Base-Backbone interact. energy: -1.357
local terms energy: -731.078077
where:
bonds (distance) C4'-P energy: -128.068
bonds (distance) P-C4' energy: -119.445
flat angles C4'-P-C4' energy: -148.079
flat angles P-C4'-P energy: -112.718
tors. eta vs tors. theta energy: -222.768
Dist. restrs. and SS energy: 7.275 (S_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: 286
Temperature: 1.200000
Total energy: -2330.856680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.856680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.948336 (E_RNA)
where:
Base-Base interactions energy: -1682.896
where: short stacking energy: -699.117
Base-Backbone interact. energy: -2.659
local terms energy: -654.393683
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -101.622
flat angles C4'-P-C4' energy: -151.668
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -214.799
Dist. restrs. and SS energy: 9.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2179.359075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.359075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.812279 (E_RNA)
where:
Base-Base interactions energy: -1571.094
where: short stacking energy: -629.613
Base-Backbone interact. energy: -0.920
local terms energy: -618.797678
where:
bonds (distance) C4'-P energy: -107.688
bonds (distance) P-C4' energy: -96.943
flat angles C4'-P-C4' energy: -135.852
flat angles P-C4'-P energy: -89.594
tors. eta vs tors. theta energy: -188.722
Dist. restrs. and SS energy: 11.453 (S_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: 286
Temperature: 1.300000
Total energy: -2103.247140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.247140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.666285 (E_RNA)
where:
Base-Base interactions energy: -1517.237
where: short stacking energy: -618.666
Base-Backbone interact. energy: -1.532
local terms energy: -604.896673
where:
bonds (distance) C4'-P energy: -87.928
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -133.531
flat angles P-C4'-P energy: -87.663
tors. eta vs tors. theta energy: -183.867
Dist. restrs. and SS energy: 20.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1928.424602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.424602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.161991 (E_RNA)
where:
Base-Base interactions energy: -1364.247
where: short stacking energy: -556.544
Base-Backbone interact. energy: -0.968
local terms energy: -585.947415
where:
bonds (distance) C4'-P energy: -121.436
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -125.263
flat angles P-C4'-P energy: -77.336
tors. eta vs tors. theta energy: -157.966
Dist. restrs. and SS energy: 22.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2735.164606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.164606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.211563 (E_RNA)
where:
Base-Base interactions energy: -1932.137
where: short stacking energy: -794.553
Base-Backbone interact. energy: -0.938
local terms energy: -806.136321
where:
bonds (distance) C4'-P energy: -133.708
bonds (distance) P-C4' energy: -149.246
flat angles C4'-P-C4' energy: -164.432
flat angles P-C4'-P energy: -115.249
tors. eta vs tors. theta energy: -243.500
Dist. restrs. and SS energy: 4.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2667.522673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.522673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.710881 (E_RNA)
where:
Base-Base interactions energy: -1876.662
where: short stacking energy: -765.046
Base-Backbone interact. energy: -2.469
local terms energy: -793.580590
where:
bonds (distance) C4'-P energy: -135.647
bonds (distance) P-C4' energy: -141.786
flat angles C4'-P-C4' energy: -170.774
flat angles P-C4'-P energy: -112.332
tors. eta vs tors. theta energy: -233.041
Dist. restrs. and SS energy: 5.188 (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: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2632.052853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.052853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.037810 (E_RNA)
where:
Base-Base interactions energy: -1828.553
where: short stacking energy: -740.507
Base-Backbone interact. energy: -2.506
local terms energy: -804.978972
where:
bonds (distance) C4'-P energy: -142.799
bonds (distance) P-C4' energy: -150.415
flat angles C4'-P-C4' energy: -155.539
flat angles P-C4'-P energy: -117.482
tors. eta vs tors. theta energy: -238.743
Dist. restrs. and SS energy: 3.985 (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: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2617.965855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.965855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.552999 (E_RNA)
where:
Base-Base interactions energy: -1860.607
where: short stacking energy: -767.762
Base-Backbone interact. energy: -2.675
local terms energy: -766.270936
where:
bonds (distance) C4'-P energy: -128.518
bonds (distance) P-C4' energy: -135.882
flat angles C4'-P-C4' energy: -153.073
flat angles P-C4'-P energy: -113.970
tors. eta vs tors. theta energy: -234.827
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: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2424.593184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.593184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.716116 (E_RNA)
where:
Base-Base interactions energy: -1701.524
where: short stacking energy: -671.469
Base-Backbone interact. energy: -4.325
local terms energy: -725.867249
where:
bonds (distance) C4'-P energy: -127.056
bonds (distance) P-C4' energy: -131.680
flat angles C4'-P-C4' energy: -156.434
flat angles P-C4'-P energy: -103.077
tors. eta vs tors. theta energy: -207.620
Dist. restrs. and SS energy: 7.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2493.769626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.769626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.246204 (E_RNA)
where:
Base-Base interactions energy: -1754.998
where: short stacking energy: -717.629
Base-Backbone interact. energy: -2.586
local terms energy: -741.662146
where:
bonds (distance) C4'-P energy: -134.394
bonds (distance) P-C4' energy: -122.811
flat angles C4'-P-C4' energy: -147.993
flat angles P-C4'-P energy: -108.713
tors. eta vs tors. theta energy: -227.751
Dist. restrs. and SS energy: 5.477 (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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2299.085063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.085063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.233818 (E_RNA)
where:
Base-Base interactions energy: -1602.213
where: short stacking energy: -662.443
Base-Backbone interact. energy: -3.086
local terms energy: -707.934173
where:
bonds (distance) C4'-P energy: -124.157
bonds (distance) P-C4' energy: -125.570
flat angles C4'-P-C4' energy: -155.101
flat angles P-C4'-P energy: -98.653
tors. eta vs tors. theta energy: -204.453
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: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -2166.646349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.646349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.121916 (E_RNA)
where:
Base-Base interactions energy: -1557.900
where: short stacking energy: -624.746
Base-Backbone interact. energy: -1.018
local terms energy: -630.203877
where:
bonds (distance) C4'-P energy: -114.718
bonds (distance) P-C4' energy: -127.035
flat angles C4'-P-C4' energy: -126.667
flat angles P-C4'-P energy: -67.473
tors. eta vs tors. theta energy: -194.311
Dist. restrs. and SS energy: 22.476 (S_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: 287
Temperature: 1.300000
Total energy: -2095.650727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.650727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.319505 (E_RNA)
where:
Base-Base interactions energy: -1514.005
where: short stacking energy: -605.649
Base-Backbone interact. energy: 0.084
local terms energy: -598.398134
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -96.349
flat angles C4'-P-C4' energy: -134.004
flat angles P-C4'-P energy: -85.380
tors. eta vs tors. theta energy: -185.209
Dist. restrs. and SS energy: 16.669 (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: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1939.040889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.040889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.668306 (E_RNA)
where:
Base-Base interactions energy: -1385.404
where: short stacking energy: -543.714
Base-Backbone interact. energy: -2.112
local terms energy: -579.151957
where:
bonds (distance) C4'-P energy: -108.572
bonds (distance) P-C4' energy: -110.267
flat angles C4'-P-C4' energy: -129.628
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -154.060
Dist. restrs. and SS energy: 27.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2722.195421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.195421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.364664 (E_RNA)
where:
Base-Base interactions energy: -1917.837
where: short stacking energy: -784.743
Base-Backbone interact. energy: -1.450
local terms energy: -811.076992
where:
bonds (distance) C4'-P energy: -137.646
bonds (distance) P-C4' energy: -139.442
flat angles C4'-P-C4' energy: -169.713
flat angles P-C4'-P energy: -123.186
tors. eta vs tors. theta energy: -241.089
Dist. restrs. and SS energy: 8.169 (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: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2696.907324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.907324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.987679 (E_RNA)
where:
Base-Base interactions energy: -1918.216
where: short stacking energy: -777.421
Base-Backbone interact. energy: -0.425
local terms energy: -781.347199
where:
bonds (distance) C4'-P energy: -126.912
bonds (distance) P-C4' energy: -147.016
flat angles C4'-P-C4' energy: -151.870
flat angles P-C4'-P energy: -109.769
tors. eta vs tors. theta energy: -245.780
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2594.685251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.685251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.199615 (E_RNA)
where:
Base-Base interactions energy: -1826.053
where: short stacking energy: -729.766
Base-Backbone interact. energy: 0.259
local terms energy: -772.405959
where:
bonds (distance) C4'-P energy: -128.676
bonds (distance) P-C4' energy: -131.460
flat angles C4'-P-C4' energy: -157.139
flat angles P-C4'-P energy: -118.916
tors. eta vs tors. theta energy: -236.214
Dist. restrs. and SS energy: 3.514 (S_DIST_RNA)
chem. 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: -2637.874101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.874101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.783378 (E_RNA)
where:
Base-Base interactions energy: -1903.468
where: short stacking energy: -758.326
Base-Backbone interact. energy: -2.647
local terms energy: -744.668146
where:
bonds (distance) C4'-P energy: -133.164
bonds (distance) P-C4' energy: -114.751
flat angles C4'-P-C4' energy: -153.121
flat angles P-C4'-P energy: -110.636
tors. eta vs tors. theta energy: -232.996
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: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2458.999904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.999904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.735931 (E_RNA)
where:
Base-Base interactions energy: -1761.062
where: short stacking energy: -694.099
Base-Backbone interact. energy: 3.846
local terms energy: -710.519343
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -118.781
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -210.443
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: 6, replica: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2469.669040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.669040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.543984 (E_RNA)
where:
Base-Base interactions energy: -1764.547
where: short stacking energy: -720.313
Base-Backbone interact. energy: 0.774
local terms energy: -710.771723
where:
bonds (distance) C4'-P energy: -100.861
bonds (distance) P-C4' energy: -137.649
flat angles C4'-P-C4' energy: -149.153
flat angles P-C4'-P energy: -90.727
tors. eta vs tors. theta energy: -232.381
Dist. restrs. and SS energy: 4.875 (S_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: 288
Temperature: 1.200000
Total energy: -2328.291172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.291172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.586646 (E_RNA)
where:
Base-Base interactions energy: -1657.470
where: short stacking energy: -666.939
Base-Backbone interact. energy: -2.536
local terms energy: -678.581389
where:
bonds (distance) C4'-P energy: -115.924
bonds (distance) P-C4' energy: -120.293
flat angles C4'-P-C4' energy: -143.669
flat angles P-C4'-P energy: -93.765
tors. eta vs tors. theta energy: -204.930
Dist. restrs. and SS energy: 10.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2164.242366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.242366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.560401 (E_RNA)
where:
Base-Base interactions energy: -1532.768
where: short stacking energy: -631.716
Base-Backbone interact. energy: -1.764
local terms energy: -641.028102
where:
bonds (distance) C4'-P energy: -113.277
bonds (distance) P-C4' energy: -126.280
flat angles C4'-P-C4' energy: -127.653
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -189.598
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: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1979.126682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.126682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.198292 (E_RNA)
where:
Base-Base interactions energy: -1414.730
where: short stacking energy: -544.366
Base-Backbone interact. energy: -0.773
local terms energy: -583.695118
where:
bonds (distance) C4'-P energy: -97.830
bonds (distance) P-C4' energy: -119.992
flat angles C4'-P-C4' energy: -130.535
flat angles P-C4'-P energy: -72.521
tors. eta vs tors. theta energy: -162.818
Dist. restrs. and SS energy: 20.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -2026.212222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.579461 (E_RNA)
where:
Base-Base interactions energy: -1459.027
where: short stacking energy: -558.420
Base-Backbone interact. energy: -3.117
local terms energy: -582.434892
where:
bonds (distance) C4'-P energy: -89.013
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -142.698
flat angles P-C4'-P energy: -77.522
tors. eta vs tors. theta energy: -168.934
Dist. restrs. and SS energy: 18.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2699.768777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.544111 (E_RNA)
where:
Base-Base interactions energy: -1918.207
where: short stacking energy: -775.137
Base-Backbone interact. energy: 0.271
local terms energy: -790.607898
where:
bonds (distance) C4'-P energy: -139.331
bonds (distance) P-C4' energy: -149.749
flat angles C4'-P-C4' energy: -154.963
flat angles P-C4'-P energy: -108.836
tors. eta vs tors. theta energy: -237.729
Dist. restrs. and SS energy: 8.775 (S_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: 289
Temperature: 0.950000
Total energy: -2694.232666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.232666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.983755 (E_RNA)
where:
Base-Base interactions energy: -1903.601
where: short stacking energy: -803.826
Base-Backbone interact. energy: -4.712
local terms energy: -789.670128
where:
bonds (distance) C4'-P energy: -141.399
bonds (distance) P-C4' energy: -131.942
flat angles C4'-P-C4' energy: -158.541
flat angles P-C4'-P energy: -114.185
tors. eta vs tors. theta energy: -243.603
Dist. restrs. and SS energy: 3.751 (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: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2617.186386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.186386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.158915 (E_RNA)
where:
Base-Base interactions energy: -1873.272
where: short stacking energy: -765.691
Base-Backbone interact. energy: -2.950
local terms energy: -745.937084
where:
bonds (distance) C4'-P energy: -128.195
bonds (distance) P-C4' energy: -133.579
flat angles C4'-P-C4' energy: -143.853
flat angles P-C4'-P energy: -102.356
tors. eta vs tors. theta energy: -237.955
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: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2622.976646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.976646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.832431 (E_RNA)
where:
Base-Base interactions energy: -1847.595
where: short stacking energy: -743.641
Base-Backbone interact. energy: -1.714
local terms energy: -782.522976
where:
bonds (distance) C4'-P energy: -133.894
bonds (distance) P-C4' energy: -135.520
flat angles C4'-P-C4' energy: -160.676
flat angles P-C4'-P energy: -114.342
tors. eta vs tors. theta energy: -238.091
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: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2436.000814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.000814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.504232 (E_RNA)
where:
Base-Base interactions energy: -1722.905
where: short stacking energy: -687.816
Base-Backbone interact. energy: -1.723
local terms energy: -715.875895
where:
bonds (distance) C4'-P energy: -118.631
bonds (distance) P-C4' energy: -138.233
flat angles C4'-P-C4' energy: -139.940
flat angles P-C4'-P energy: -103.893
tors. eta vs tors. theta energy: -215.178
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: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2491.133835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.133835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.400196 (E_RNA)
where:
Base-Base interactions energy: -1771.778
where: short stacking energy: -717.437
Base-Backbone interact. energy: -3.226
local terms energy: -725.396172
where:
bonds (distance) C4'-P energy: -129.355
bonds (distance) P-C4' energy: -111.280
flat angles C4'-P-C4' energy: -156.889
flat angles P-C4'-P energy: -108.607
tors. eta vs tors. theta energy: -219.265
Dist. restrs. and SS energy: 9.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2342.549762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.549762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.540564 (E_RNA)
where:
Base-Base interactions energy: -1674.749
where: short stacking energy: -688.001
Base-Backbone interact. energy: 0.569
local terms energy: -683.361273
where:
bonds (distance) C4'-P energy: -110.587
bonds (distance) P-C4' energy: -126.190
flat angles C4'-P-C4' energy: -145.232
flat angles P-C4'-P energy: -97.655
tors. eta vs tors. theta energy: -203.697
Dist. restrs. and SS energy: 14.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2137.103422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.103422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.213212 (E_RNA)
where:
Base-Base interactions energy: -1490.737
where: short stacking energy: -591.903
Base-Backbone interact. energy: -0.146
local terms energy: -659.330831
where:
bonds (distance) C4'-P energy: -117.530
bonds (distance) P-C4' energy: -142.641
flat angles C4'-P-C4' energy: -129.553
flat angles P-C4'-P energy: -92.759
tors. eta vs tors. theta energy: -176.849
Dist. restrs. and SS energy: 13.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1976.900837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.900837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.042940 (E_RNA)
where:
Base-Base interactions energy: -1411.736
where: short stacking energy: -563.241
Base-Backbone interact. energy: -2.146
local terms energy: -584.161301
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -106.271
flat angles C4'-P-C4' energy: -131.613
flat angles P-C4'-P energy: -76.854
tors. eta vs tors. theta energy: -178.222
Dist. restrs. and SS energy: 21.142 (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: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -2027.275581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.275581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.222452 (E_RNA)
where:
Base-Base interactions energy: -1457.473
where: short stacking energy: -581.123
Base-Backbone interact. energy: -1.709
local terms energy: -576.040602
where:
bonds (distance) C4'-P energy: -102.718
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -133.367
flat angles P-C4'-P energy: -87.836
tors. eta vs tors. theta energy: -174.281
Dist. restrs. and SS energy: 7.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2721.480386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.480386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.363903 (E_RNA)
where:
Base-Base interactions energy: -1931.082
where: short stacking energy: -797.069
Base-Backbone interact. energy: 3.956
local terms energy: -800.238439
where:
bonds (distance) C4'-P energy: -136.698
bonds (distance) P-C4' energy: -129.114
flat angles C4'-P-C4' energy: -164.606
flat angles P-C4'-P energy: -118.963
tors. eta vs tors. theta energy: -250.857
Dist. restrs. and SS energy: 5.884 (S_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: 290
Temperature: 0.950000
Total energy: -2672.682179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.682179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.948467 (E_RNA)
where:
Base-Base interactions energy: -1885.663
where: short stacking energy: -783.219
Base-Backbone interact. energy: -2.169
local terms energy: -788.116203
where:
bonds (distance) C4'-P energy: -140.962
bonds (distance) P-C4' energy: -131.968
flat angles C4'-P-C4' energy: -157.923
flat angles P-C4'-P energy: -111.599
tors. eta vs tors. theta energy: -245.665
Dist. restrs. and SS energy: 3.266 (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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2661.739641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.739641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.160990 (E_RNA)
where:
Base-Base interactions energy: -1895.321
where: short stacking energy: -772.782
Base-Backbone interact. energy: 0.101
local terms energy: -775.941645
where:
bonds (distance) C4'-P energy: -127.136
bonds (distance) P-C4' energy: -131.631
flat angles C4'-P-C4' energy: -160.769
flat angles P-C4'-P energy: -114.397
tors. eta vs tors. theta energy: -242.008
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: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2582.118742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.118742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.049399 (E_RNA)
where:
Base-Base interactions energy: -1832.398
where: short stacking energy: -748.956
Base-Backbone interact. energy: -0.803
local terms energy: -752.849138
where:
bonds (distance) C4'-P energy: -135.343
bonds (distance) P-C4' energy: -129.625
flat angles C4'-P-C4' energy: -148.800
flat angles P-C4'-P energy: -102.283
tors. eta vs tors. theta energy: -236.798
Dist. restrs. and SS energy: 3.931 (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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2485.866077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.866077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.452143 (E_RNA)
where:
Base-Base interactions energy: -1771.994
where: short stacking energy: -706.824
Base-Backbone interact. energy: -3.631
local terms energy: -712.827093
where:
bonds (distance) C4'-P energy: -121.481
bonds (distance) P-C4' energy: -112.086
flat angles C4'-P-C4' energy: -158.703
flat angles P-C4'-P energy: -104.277
tors. eta vs tors. theta energy: -216.280
Dist. restrs. and SS energy: 2.586 (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: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2403.637528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.115977 (E_RNA)
where:
Base-Base interactions energy: -1734.688
where: short stacking energy: -680.673
Base-Backbone interact. energy: -0.125
local terms energy: -674.302821
where:
bonds (distance) C4'-P energy: -131.496
bonds (distance) P-C4' energy: -102.574
flat angles C4'-P-C4' energy: -141.616
flat angles P-C4'-P energy: -95.607
tors. eta vs tors. theta energy: -203.009
Dist. restrs. and SS energy: 5.478 (S_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: 290
Temperature: 1.200000
Total energy: -2251.088213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.088213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.078691 (E_RNA)
where:
Base-Base interactions energy: -1585.062
where: short stacking energy: -612.911
Base-Backbone interact. energy: 0.607
local terms energy: -677.623058
where:
bonds (distance) C4'-P energy: -115.148
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -140.362
flat angles P-C4'-P energy: -106.318
tors. eta vs tors. theta energy: -186.685
Dist. restrs. and SS energy: 10.990 (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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2243.544461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.544461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.517135 (E_RNA)
where:
Base-Base interactions energy: -1611.026
where: short stacking energy: -669.666
Base-Backbone interact. energy: -2.823
local terms energy: -637.668037
where:
bonds (distance) C4'-P energy: -85.133
bonds (distance) P-C4' energy: -110.174
flat angles C4'-P-C4' energy: -150.468
flat angles P-C4'-P energy: -93.211
tors. eta vs tors. theta energy: -198.680
Dist. restrs. and SS energy: 7.973 (S_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: 290
Temperature: 1.300000
Total energy: -2083.150549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.150549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.670457 (E_RNA)
where:
Base-Base interactions energy: -1508.087
where: short stacking energy: -607.035
Base-Backbone interact. energy: 2.560
local terms energy: -598.142909
where:
bonds (distance) C4'-P energy: -104.051
bonds (distance) P-C4' energy: -100.786
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -102.502
tors. eta vs tors. theta energy: -168.193
Dist. restrs. and SS energy: 20.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1951.082418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.082418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.507966 (E_RNA)
where:
Base-Base interactions energy: -1395.468
where: short stacking energy: -562.543
Base-Backbone interact. energy: -4.438
local terms energy: -576.602493
where:
bonds (distance) C4'-P energy: -91.384
bonds (distance) P-C4' energy: -107.839
flat angles C4'-P-C4' energy: -139.414
flat angles P-C4'-P energy: -69.803
tors. eta vs tors. theta energy: -168.162
Dist. restrs. and SS energy: 25.426 (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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2712.720442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.720442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.017420 (E_RNA)
where:
Base-Base interactions energy: -1909.084
where: short stacking energy: -788.264
Base-Backbone interact. energy: -2.510
local terms energy: -809.422898
where:
bonds (distance) C4'-P energy: -146.899
bonds (distance) P-C4' energy: -129.114
flat angles C4'-P-C4' energy: -163.322
flat angles P-C4'-P energy: -127.007
tors. eta vs tors. theta energy: -243.081
Dist. restrs. and SS energy: 8.297 (S_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: 291
Temperature: 0.950000
Total energy: -2686.812767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.812767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.468753 (E_RNA)
where:
Base-Base interactions energy: -1878.264
where: short stacking energy: -773.528
Base-Backbone interact. energy: -2.623
local terms energy: -811.581670
where:
bonds (distance) C4'-P energy: -137.616
bonds (distance) P-C4' energy: -139.053
flat angles C4'-P-C4' energy: -170.683
flat angles P-C4'-P energy: -119.286
tors. eta vs tors. theta energy: -244.943
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2686.681143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.681143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.003969 (E_RNA)
where:
Base-Base interactions energy: -1916.459
where: short stacking energy: -787.217
Base-Backbone interact. energy: 0.525
local terms energy: -780.069395
where:
bonds (distance) C4'-P energy: -134.566
bonds (distance) P-C4' energy: -129.175
flat angles C4'-P-C4' energy: -155.043
flat angles P-C4'-P energy: -118.254
tors. eta vs tors. theta energy: -243.031
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: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2602.295705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.295705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.510087 (E_RNA)
where:
Base-Base interactions energy: -1839.276
where: short stacking energy: -752.707
Base-Backbone interact. energy: -2.712
local terms energy: -763.521636
where:
bonds (distance) C4'-P energy: -110.099
bonds (distance) P-C4' energy: -147.849
flat angles C4'-P-C4' energy: -159.988
flat angles P-C4'-P energy: -105.244
tors. eta vs tors. theta energy: -240.341
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: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2507.286445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.286445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.167007 (E_RNA)
where:
Base-Base interactions energy: -1797.112
where: short stacking energy: -720.665
Base-Backbone interact. energy: 0.378
local terms energy: -714.432753
where:
bonds (distance) C4'-P energy: -106.707
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -158.016
flat angles P-C4'-P energy: -107.158
tors. eta vs tors. theta energy: -222.583
Dist. restrs. and SS energy: 3.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2411.508812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.508812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.195783 (E_RNA)
where:
Base-Base interactions energy: -1724.894
where: short stacking energy: -687.240
Base-Backbone interact. energy: -1.151
local terms energy: -692.151305
where:
bonds (distance) C4'-P energy: -125.351
bonds (distance) P-C4' energy: -117.447
flat angles C4'-P-C4' energy: -147.267
flat angles P-C4'-P energy: -86.742
tors. eta vs tors. theta energy: -215.345
Dist. restrs. and SS energy: 6.687 (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: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2198.516068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.516068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.153647 (E_RNA)
where:
Base-Base interactions energy: -1572.292
where: short stacking energy: -618.733
Base-Backbone interact. energy: 0.158
local terms energy: -640.020433
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -134.285
flat angles C4'-P-C4' energy: -133.749
flat angles P-C4'-P energy: -89.362
tors. eta vs tors. theta energy: -178.800
Dist. restrs. and SS energy: 13.638 (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: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2245.357677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.357677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.832533 (E_RNA)
where:
Base-Base interactions energy: -1587.467
where: short stacking energy: -635.145
Base-Backbone interact. energy: -0.884
local terms energy: -665.481665
where:
bonds (distance) C4'-P energy: -106.935
bonds (distance) P-C4' energy: -122.730
flat angles C4'-P-C4' energy: -138.387
flat angles P-C4'-P energy: -99.710
tors. eta vs tors. theta energy: -197.719
Dist. restrs. and SS energy: 8.475 (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: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -2128.590968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.590968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.314566 (E_RNA)
where:
Base-Base interactions energy: -1523.268
where: short stacking energy: -599.562
Base-Backbone interact. energy: -3.852
local terms energy: -616.195077
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -129.794
flat angles C4'-P-C4' energy: -125.200
flat angles P-C4'-P energy: -87.663
tors. eta vs tors. theta energy: -168.242
Dist. restrs. and SS energy: 14.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1938.384988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.384988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.288170 (E_RNA)
where:
Base-Base interactions energy: -1395.261
where: short stacking energy: -584.505
Base-Backbone interact. energy: 2.499
local terms energy: -563.526500
where:
bonds (distance) C4'-P energy: -91.464
bonds (distance) P-C4' energy: -108.734
flat angles C4'-P-C4' energy: -111.576
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -171.343
Dist. restrs. and SS energy: 17.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2730.017733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.017733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.887066 (E_RNA)
where:
Base-Base interactions energy: -1922.297
where: short stacking energy: -787.130
Base-Backbone interact. energy: 5.180
local terms energy: -821.770332
where:
bonds (distance) C4'-P energy: -142.477
bonds (distance) P-C4' energy: -141.330
flat angles C4'-P-C4' energy: -169.978
flat angles P-C4'-P energy: -125.245
tors. eta vs tors. theta energy: -242.741
Dist. restrs. and SS energy: 8.869 (S_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: 292
Temperature: 0.950000
Total energy: -2676.142945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.142945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.986692 (E_RNA)
where:
Base-Base interactions energy: -1881.134
where: short stacking energy: -781.128
Base-Backbone interact. energy: -3.413
local terms energy: -796.439567
where:
bonds (distance) C4'-P energy: -149.252
bonds (distance) P-C4' energy: -144.074
flat angles C4'-P-C4' energy: -161.629
flat angles P-C4'-P energy: -107.103
tors. eta vs tors. theta energy: -234.382
Dist. restrs. and SS energy: 4.844 (S_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: 292
Temperature: 1.000000
Total energy: -2653.024871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.024871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.155502 (E_RNA)
where:
Base-Base interactions energy: -1893.446
where: short stacking energy: -768.813
Base-Backbone interact. energy: -2.487
local terms energy: -767.223032
where:
bonds (distance) C4'-P energy: -139.559
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -153.506
flat angles P-C4'-P energy: -105.701
tors. eta vs tors. theta energy: -245.114
Dist. restrs. and SS energy: 10.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2564.490065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.490065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.364349 (E_RNA)
where:
Base-Base interactions energy: -1788.856
where: short stacking energy: -723.667
Base-Backbone interact. energy: -3.290
local terms energy: -776.218498
where:
bonds (distance) C4'-P energy: -147.973
bonds (distance) P-C4' energy: -124.450
flat angles C4'-P-C4' energy: -156.589
flat angles P-C4'-P energy: -115.346
tors. eta vs tors. theta energy: -231.861
Dist. restrs. and SS energy: 3.874 (S_DIST_RNA)
chem. 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: -2523.892065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.892065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.686626 (E_RNA)
where:
Base-Base interactions energy: -1770.735
where: short stacking energy: -735.996
Base-Backbone interact. energy: 0.112
local terms energy: -760.063409
where:
bonds (distance) C4'-P energy: -130.398
bonds (distance) P-C4' energy: -124.824
flat angles C4'-P-C4' energy: -155.551
flat angles P-C4'-P energy: -108.822
tors. eta vs tors. theta energy: -240.468
Dist. restrs. and SS energy: 6.795 (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: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2369.639196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.639196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.592799 (E_RNA)
where:
Base-Base interactions energy: -1703.234
where: short stacking energy: -689.307
Base-Backbone interact. energy: 2.496
local terms energy: -677.854735
where:
bonds (distance) C4'-P energy: -119.671
bonds (distance) P-C4' energy: -113.984
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -96.352
tors. eta vs tors. theta energy: -199.477
Dist. restrs. and SS energy: 8.954 (S_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: -2334.941471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.941471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.823580 (E_RNA)
where:
Base-Base interactions energy: -1650.048
where: short stacking energy: -685.914
Base-Backbone interact. energy: -1.625
local terms energy: -691.150758
where:
bonds (distance) C4'-P energy: -119.860
bonds (distance) P-C4' energy: -120.066
flat angles C4'-P-C4' energy: -146.001
flat angles P-C4'-P energy: -94.792
tors. eta vs tors. theta energy: -210.432
Dist. restrs. and SS energy: 7.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2166.044904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.044904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.766771 (E_RNA)
where:
Base-Base interactions energy: -1532.971
where: short stacking energy: -623.910
Base-Backbone interact. energy: 0.790
local terms energy: -642.585269
where:
bonds (distance) C4'-P energy: -101.551
bonds (distance) P-C4' energy: -101.836
flat angles C4'-P-C4' energy: -146.670
flat angles P-C4'-P energy: -93.234
tors. eta vs tors. theta energy: -199.293
Dist. restrs. and SS energy: 8.722 (S_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: 292
Temperature: 1.300000
Total energy: -2142.201441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.201441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.592210 (E_RNA)
where:
Base-Base interactions energy: -1538.803
where: short stacking energy: -612.691
Base-Backbone interact. energy: 1.574
local terms energy: -611.363084
where:
bonds (distance) C4'-P energy: -96.968
bonds (distance) P-C4' energy: -149.600
flat angles C4'-P-C4' energy: -116.334
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -190.887
Dist. restrs. and SS energy: 6.391 (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: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1915.721269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.721269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.854469 (E_RNA)
where:
Base-Base interactions energy: -1351.314
where: short stacking energy: -549.884
Base-Backbone interact. energy: 1.021
local terms energy: -591.560953
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -107.695
flat angles C4'-P-C4' energy: -135.580
flat angles P-C4'-P energy: -83.134
tors. eta vs tors. theta energy: -154.802
Dist. restrs. and SS energy: 26.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2730.059223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.059223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.880156 (E_RNA)
where:
Base-Base interactions energy: -1910.896
where: short stacking energy: -798.828
Base-Backbone interact. energy: -2.855
local terms energy: -822.129036
where:
bonds (distance) C4'-P energy: -142.849
bonds (distance) P-C4' energy: -147.585
flat angles C4'-P-C4' energy: -170.573
flat angles P-C4'-P energy: -118.058
tors. eta vs tors. theta energy: -243.064
Dist. restrs. and SS energy: 5.821 (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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2704.825937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.825937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.115206 (E_RNA)
where:
Base-Base interactions energy: -1901.946
where: short stacking energy: -765.400
Base-Backbone interact. energy: -1.564
local terms energy: -810.605484
where:
bonds (distance) C4'-P energy: -146.830
bonds (distance) P-C4' energy: -143.354
flat angles C4'-P-C4' energy: -163.265
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -246.507
Dist. restrs. and SS energy: 9.289 (S_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: 293
Temperature: 1.000000
Total energy: -2615.083492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.083492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.719691 (E_RNA)
where:
Base-Base interactions energy: -1857.198
where: short stacking energy: -759.779
Base-Backbone interact. energy: -3.425
local terms energy: -762.097133
where:
bonds (distance) C4'-P energy: -125.255
bonds (distance) P-C4' energy: -136.890
flat angles C4'-P-C4' energy: -159.499
flat angles P-C4'-P energy: -103.325
tors. eta vs tors. theta energy: -237.127
Dist. restrs. and SS energy: 7.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2584.162116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.162116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.231581 (E_RNA)
where:
Base-Base interactions energy: -1815.896
where: short stacking energy: -748.702
Base-Backbone interact. energy: -0.565
local terms energy: -771.770664
where:
bonds (distance) C4'-P energy: -133.563
bonds (distance) P-C4' energy: -149.494
flat angles C4'-P-C4' energy: -154.370
flat angles P-C4'-P energy: -100.815
tors. eta vs tors. theta energy: -233.528
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: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2510.781307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.781307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.924576 (E_RNA)
where:
Base-Base interactions energy: -1782.698
where: short stacking energy: -735.364
Base-Backbone interact. energy: -3.587
local terms energy: -728.639242
where:
bonds (distance) C4'-P energy: -107.443
bonds (distance) P-C4' energy: -120.032
flat angles C4'-P-C4' energy: -163.062
flat angles P-C4'-P energy: -109.771
tors. eta vs tors. theta energy: -228.331
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: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2395.275627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.275627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.942996 (E_RNA)
where:
Base-Base interactions energy: -1711.782
where: short stacking energy: -676.360
Base-Backbone interact. energy: 1.009
local terms energy: -690.170507
where:
bonds (distance) C4'-P energy: -108.380
bonds (distance) P-C4' energy: -117.307
flat angles C4'-P-C4' energy: -143.507
flat angles P-C4'-P energy: -112.141
tors. eta vs tors. theta energy: -208.835
Dist. restrs. and SS energy: 5.667 (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: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2293.202418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.202418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.798137 (E_RNA)
where:
Base-Base interactions energy: -1631.537
where: short stacking energy: -645.663
Base-Backbone interact. energy: 0.264
local terms energy: -665.525465
where:
bonds (distance) C4'-P energy: -114.305
bonds (distance) P-C4' energy: -131.277
flat angles C4'-P-C4' energy: -141.504
flat angles P-C4'-P energy: -87.526
tors. eta vs tors. theta energy: -190.914
Dist. restrs. and SS energy: 3.596 (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: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2169.182458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.182458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.431112 (E_RNA)
where:
Base-Base interactions energy: -1539.866
where: short stacking energy: -617.586
Base-Backbone interact. energy: -3.498
local terms energy: -636.066576
where:
bonds (distance) C4'-P energy: -126.474
bonds (distance) P-C4' energy: -103.385
flat angles C4'-P-C4' energy: -123.750
flat angles P-C4'-P energy: -91.302
tors. eta vs tors. theta energy: -191.155
Dist. restrs. and SS energy: 10.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -2083.208603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.208603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.563193 (E_RNA)
where:
Base-Base interactions energy: -1482.193
where: short stacking energy: -598.292
Base-Backbone interact. energy: -0.261
local terms energy: -610.109444
where:
bonds (distance) C4'-P energy: -99.348
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -127.016
flat angles P-C4'-P energy: -90.112
tors. eta vs tors. theta energy: -179.158
Dist. restrs. and SS energy: 9.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1921.952627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.952627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.118217 (E_RNA)
where:
Base-Base interactions energy: -1383.532
where: short stacking energy: -540.105
Base-Backbone interact. energy: -2.974
local terms energy: -557.613126
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -118.974
flat angles P-C4'-P energy: -87.537
tors. eta vs tors. theta energy: -147.774
Dist. restrs. and SS energy: 22.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2737.167058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.167058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.290409 (E_RNA)
where:
Base-Base interactions energy: -1928.745
where: short stacking energy: -811.402
Base-Backbone interact. energy: -2.990
local terms energy: -811.555936
where:
bonds (distance) C4'-P energy: -143.434
bonds (distance) P-C4' energy: -142.006
flat angles C4'-P-C4' energy: -168.055
flat angles P-C4'-P energy: -115.195
tors. eta vs tors. theta energy: -242.866
Dist. restrs. and SS energy: 6.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2699.549942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.549942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.606081 (E_RNA)
where:
Base-Base interactions energy: -1931.659
where: short stacking energy: -791.109
Base-Backbone interact. energy: -2.307
local terms energy: -775.639269
where:
bonds (distance) C4'-P energy: -132.597
bonds (distance) P-C4' energy: -133.836
flat angles C4'-P-C4' energy: -159.690
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -244.948
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: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2633.463210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.463210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.199853 (E_RNA)
where:
Base-Base interactions energy: -1895.164
where: short stacking energy: -760.079
Base-Backbone interact. energy: -3.710
local terms energy: -737.326305
where:
bonds (distance) C4'-P energy: -130.751
bonds (distance) P-C4' energy: -118.559
flat angles C4'-P-C4' energy: -161.494
flat angles P-C4'-P energy: -92.497
tors. eta vs tors. theta energy: -234.026
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: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2601.946908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.946908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.608500 (E_RNA)
where:
Base-Base interactions energy: -1860.529
where: short stacking energy: -781.639
Base-Backbone interact. energy: -1.260
local terms energy: -747.819639
where:
bonds (distance) C4'-P energy: -132.775
bonds (distance) P-C4' energy: -121.458
flat angles C4'-P-C4' energy: -156.722
flat angles P-C4'-P energy: -101.329
tors. eta vs tors. theta energy: -235.536
Dist. restrs. and SS energy: 7.662 (S_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: 294
Temperature: 1.100000
Total energy: -2528.090300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.090300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.276212 (E_RNA)
where:
Base-Base interactions energy: -1798.903
where: short stacking energy: -732.886
Base-Backbone interact. energy: -0.871
local terms energy: -733.502327
where:
bonds (distance) C4'-P energy: -129.394
bonds (distance) P-C4' energy: -113.430
flat angles C4'-P-C4' energy: -151.025
flat angles P-C4'-P energy: -109.343
tors. eta vs tors. theta energy: -230.310
Dist. restrs. and SS energy: 5.186 (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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2359.614723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.614723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.180384 (E_RNA)
where:
Base-Base interactions energy: -1694.828
where: short stacking energy: -690.688
Base-Backbone interact. energy: -5.438
local terms energy: -665.914339
where:
bonds (distance) C4'-P energy: -102.223
bonds (distance) P-C4' energy: -110.940
flat angles C4'-P-C4' energy: -140.975
flat angles P-C4'-P energy: -97.897
tors. eta vs tors. theta energy: -213.879
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: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2333.121701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.121701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.161133 (E_RNA)
where:
Base-Base interactions energy: -1678.847
where: short stacking energy: -683.709
Base-Backbone interact. energy: -2.181
local terms energy: -660.133319
where:
bonds (distance) C4'-P energy: -114.686
bonds (distance) P-C4' energy: -115.160
flat angles C4'-P-C4' energy: -129.137
flat angles P-C4'-P energy: -83.333
tors. eta vs tors. theta energy: -217.817
Dist. restrs. and SS energy: 8.039 (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: 294
Temperature: 1.250000
Total energy: -2185.347992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.347992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.938833 (E_RNA)
where:
Base-Base interactions energy: -1570.671
where: short stacking energy: -612.671
Base-Backbone interact. energy: 3.057
local terms energy: -621.324926
where:
bonds (distance) C4'-P energy: -76.577
bonds (distance) P-C4' energy: -107.562
flat angles C4'-P-C4' energy: -147.095
flat angles P-C4'-P energy: -88.137
tors. eta vs tors. theta energy: -201.953
Dist. restrs. and SS energy: 3.591 (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: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -2081.094900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.094900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.223071 (E_RNA)
where:
Base-Base interactions energy: -1508.443
where: short stacking energy: -591.841
Base-Backbone interact. energy: -0.400
local terms energy: -588.380973
where:
bonds (distance) C4'-P energy: -110.731
bonds (distance) P-C4' energy: -102.006
flat angles C4'-P-C4' energy: -119.332
flat angles P-C4'-P energy: -79.711
tors. eta vs tors. theta energy: -176.601
Dist. restrs. and SS energy: 16.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1928.663794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.663794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.632333 (E_RNA)
where:
Base-Base interactions energy: -1382.155
where: short stacking energy: -557.821
Base-Backbone interact. energy: -1.269
local terms energy: -573.208533
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -91.879
flat angles C4'-P-C4' energy: -130.989
flat angles P-C4'-P energy: -84.119
tors. eta vs tors. theta energy: -159.671
Dist. restrs. and SS energy: 27.969 (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: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2729.821978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.821978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.021986 (E_RNA)
where:
Base-Base interactions energy: -1917.363
where: short stacking energy: -777.084
Base-Backbone interact. energy: -0.010
local terms energy: -817.649318
where:
bonds (distance) C4'-P energy: -143.927
bonds (distance) P-C4' energy: -148.420
flat angles C4'-P-C4' energy: -171.619
flat angles P-C4'-P energy: -114.239
tors. eta vs tors. theta energy: -239.445
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: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2705.156540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.156540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.394269 (E_RNA)
where:
Base-Base interactions energy: -1948.619
where: short stacking energy: -787.411
Base-Backbone interact. energy: -1.808
local terms energy: -766.966766
where:
bonds (distance) C4'-P energy: -129.415
bonds (distance) P-C4' energy: -125.977
flat angles C4'-P-C4' energy: -159.194
flat angles P-C4'-P energy: -112.171
tors. eta vs tors. theta energy: -240.209
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2628.175194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.175194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.780241 (E_RNA)
where:
Base-Base interactions energy: -1863.661
where: short stacking energy: -766.552
Base-Backbone interact. energy: 0.133
local terms energy: -770.252190
where:
bonds (distance) C4'-P energy: -123.189
bonds (distance) P-C4' energy: -136.158
flat angles C4'-P-C4' energy: -153.961
flat angles P-C4'-P energy: -113.204
tors. eta vs tors. theta energy: -243.740
Dist. restrs. and SS energy: 5.605 (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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2585.014722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.014722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.533008 (E_RNA)
where:
Base-Base interactions energy: -1820.023
where: short stacking energy: -754.159
Base-Backbone interact. energy: -1.975
local terms energy: -770.535538
where:
bonds (distance) C4'-P energy: -127.402
bonds (distance) P-C4' energy: -121.249
flat angles C4'-P-C4' energy: -172.636
flat angles P-C4'-P energy: -108.743
tors. eta vs tors. theta energy: -240.505
Dist. restrs. and SS energy: 7.518 (S_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: 295
Temperature: 1.100000
Total energy: -2532.378245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.378245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.350844 (E_RNA)
where:
Base-Base interactions energy: -1787.614
where: short stacking energy: -746.676
Base-Backbone interact. energy: -0.564
local terms energy: -746.172342
where:
bonds (distance) C4'-P energy: -118.358
bonds (distance) P-C4' energy: -126.272
flat angles C4'-P-C4' energy: -162.235
flat angles P-C4'-P energy: -112.734
tors. eta vs tors. theta energy: -226.574
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2405.146872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.146872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.439131 (E_RNA)
where:
Base-Base interactions energy: -1729.443
where: short stacking energy: -714.571
Base-Backbone interact. energy: -0.193
local terms energy: -687.803125
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -125.835
flat angles C4'-P-C4' energy: -159.168
flat angles P-C4'-P energy: -91.795
tors. eta vs tors. theta energy: -220.166
Dist. restrs. and SS energy: 12.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2320.076806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.076806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.053218 (E_RNA)
where:
Base-Base interactions energy: -1674.167
where: short stacking energy: -645.580
Base-Backbone interact. energy: -2.300
local terms energy: -650.585899
where:
bonds (distance) C4'-P energy: -108.610
bonds (distance) P-C4' energy: -116.914
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -85.061
tors. eta vs tors. theta energy: -191.447
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: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2208.442028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.442028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.948703 (E_RNA)
where:
Base-Base interactions energy: -1586.191
where: short stacking energy: -647.777
Base-Backbone interact. energy: -2.114
local terms energy: -631.644028
where:
bonds (distance) C4'-P energy: -108.674
bonds (distance) P-C4' energy: -102.487
flat angles C4'-P-C4' energy: -141.436
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -196.528
Dist. restrs. and SS energy: 11.507 (S_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: 295
Temperature: 1.300000
Total energy: -2052.863820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.863820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.778246 (E_RNA)
where:
Base-Base interactions energy: -1487.209
where: short stacking energy: -604.139
Base-Backbone interact. energy: 0.419
local terms energy: -580.988141
where:
bonds (distance) C4'-P energy: -121.461
bonds (distance) P-C4' energy: -88.947
flat angles C4'-P-C4' energy: -119.922
flat angles P-C4'-P energy: -83.834
tors. eta vs tors. theta energy: -166.825
Dist. restrs. and SS energy: 14.914 (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: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1943.757899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.757899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.053270 (E_RNA)
where:
Base-Base interactions energy: -1400.160
where: short stacking energy: -537.011
Base-Backbone interact. energy: -1.596
local terms energy: -560.297816
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -115.717
flat angles C4'-P-C4' energy: -123.244
flat angles P-C4'-P energy: -63.287
tors. eta vs tors. theta energy: -166.189
Dist. restrs. and SS energy: 18.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2748.640330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.640330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.273822 (E_RNA)
where:
Base-Base interactions energy: -1934.607
where: short stacking energy: -763.531
Base-Backbone interact. energy: -0.836
local terms energy: -817.831287
where:
bonds (distance) C4'-P energy: -132.973
bonds (distance) P-C4' energy: -151.830
flat angles C4'-P-C4' energy: -176.356
flat angles P-C4'-P energy: -120.761
tors. eta vs tors. theta energy: -235.911
Dist. restrs. and SS energy: 4.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2730.655172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.655172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.089931 (E_RNA)
where:
Base-Base interactions energy: -1942.835
where: short stacking energy: -790.948
Base-Backbone interact. energy: -2.160
local terms energy: -796.095257
where:
bonds (distance) C4'-P energy: -124.870
bonds (distance) P-C4' energy: -147.390
flat angles C4'-P-C4' energy: -168.173
flat angles P-C4'-P energy: -108.702
tors. eta vs tors. theta energy: -246.961
Dist. restrs. and SS energy: 10.435 (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: 296
Temperature: 1.000000
Total energy: -2632.494987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.494987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.086126 (E_RNA)
where:
Base-Base interactions energy: -1861.186
where: short stacking energy: -769.034
Base-Backbone interact. energy: -2.098
local terms energy: -777.801742
where:
bonds (distance) C4'-P energy: -124.169
bonds (distance) P-C4' energy: -137.996
flat angles C4'-P-C4' energy: -157.021
flat angles P-C4'-P energy: -117.692
tors. eta vs tors. theta energy: -240.924
Dist. restrs. and SS energy: 8.591 (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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2601.475614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.475614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.911033 (E_RNA)
where:
Base-Base interactions energy: -1837.730
where: short stacking energy: -762.314
Base-Backbone interact. energy: -5.535
local terms energy: -765.645388
where:
bonds (distance) C4'-P energy: -137.347
bonds (distance) P-C4' energy: -120.121
flat angles C4'-P-C4' energy: -169.108
flat angles P-C4'-P energy: -106.043
tors. eta vs tors. theta energy: -233.026
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: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2540.486701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.486701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.016287 (E_RNA)
where:
Base-Base interactions energy: -1828.613
where: short stacking energy: -739.000
Base-Backbone interact. energy: 1.275
local terms energy: -714.678522
where:
bonds (distance) C4'-P energy: -125.820
bonds (distance) P-C4' energy: -98.294
flat angles C4'-P-C4' energy: -166.022
flat angles P-C4'-P energy: -108.163
tors. eta vs tors. theta energy: -216.379
Dist. restrs. and SS energy: 1.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2402.160119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.160119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.315741 (E_RNA)
where:
Base-Base interactions energy: -1703.286
where: short stacking energy: -688.908
Base-Backbone interact. energy: -2.072
local terms energy: -706.957796
where:
bonds (distance) C4'-P energy: -114.171
bonds (distance) P-C4' energy: -123.222
flat angles C4'-P-C4' energy: -148.055
flat angles P-C4'-P energy: -103.940
tors. eta vs tors. theta energy: -217.569
Dist. restrs. and SS energy: 10.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2314.483200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.483200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.423684 (E_RNA)
where:
Base-Base interactions energy: -1646.247
where: short stacking energy: -662.485
Base-Backbone interact. energy: 0.258
local terms energy: -678.434847
where:
bonds (distance) C4'-P energy: -111.272
bonds (distance) P-C4' energy: -122.891
flat angles C4'-P-C4' energy: -141.107
flat angles P-C4'-P energy: -99.589
tors. eta vs tors. theta energy: -203.575
Dist. restrs. and SS energy: 9.940 (S_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: -2175.153304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.153304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.854030 (E_RNA)
where:
Base-Base interactions energy: -1555.726
where: short stacking energy: -620.091
Base-Backbone interact. energy: -1.829
local terms energy: -629.299228
where:
bonds (distance) C4'-P energy: -109.786
bonds (distance) P-C4' energy: -105.553
flat angles C4'-P-C4' energy: -129.819
flat angles P-C4'-P energy: -98.388
tors. eta vs tors. theta energy: -185.754
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: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -2058.912074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.912074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.114571 (E_RNA)
where:
Base-Base interactions energy: -1475.817
where: short stacking energy: -629.374
Base-Backbone interact. energy: 2.010
local terms energy: -606.308153
where:
bonds (distance) C4'-P energy: -94.981
bonds (distance) P-C4' energy: -121.865
flat angles C4'-P-C4' energy: -137.309
flat angles P-C4'-P energy: -79.693
tors. eta vs tors. theta energy: -172.460
Dist. restrs. and SS energy: 21.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1926.827055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.827055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.009644 (E_RNA)
where:
Base-Base interactions energy: -1380.207
where: short stacking energy: -561.487
Base-Backbone interact. energy: -0.110
local terms energy: -569.692598
where:
bonds (distance) C4'-P energy: -110.368
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -100.708
flat angles P-C4'-P energy: -73.302
tors. eta vs tors. theta energy: -171.926
Dist. restrs. and SS energy: 23.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2764.010116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.010116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.498649 (E_RNA)
where:
Base-Base interactions energy: -1964.372
where: short stacking energy: -797.664
Base-Backbone interact. energy: -4.748
local terms energy: -801.378672
where:
bonds (distance) C4'-P energy: -140.142
bonds (distance) P-C4' energy: -131.700
flat angles C4'-P-C4' energy: -169.366
flat angles P-C4'-P energy: -119.634
tors. eta vs tors. theta energy: -240.536
Dist. restrs. and SS energy: 6.489 (S_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: 297
Temperature: 0.950000
Total energy: -2739.000762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.000762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.147059 (E_RNA)
where:
Base-Base interactions energy: -1918.981
where: short stacking energy: -783.978
Base-Backbone interact. energy: -2.504
local terms energy: -829.661218
where:
bonds (distance) C4'-P energy: -152.322
bonds (distance) P-C4' energy: -139.604
flat angles C4'-P-C4' energy: -170.772
flat angles P-C4'-P energy: -115.075
tors. eta vs tors. theta energy: -251.888
Dist. restrs. and SS energy: 12.146 (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: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2655.320874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.139722 (E_RNA)
where:
Base-Base interactions energy: -1866.828
where: short stacking energy: -766.855
Base-Backbone interact. energy: -2.153
local terms energy: -792.159528
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -138.198
flat angles C4'-P-C4' energy: -157.308
flat angles P-C4'-P energy: -117.188
tors. eta vs tors. theta energy: -242.792
Dist. restrs. and SS energy: 5.819 (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: 297
Temperature: 1.050000
Total energy: -2572.645449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.645449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.452290 (E_RNA)
where:
Base-Base interactions energy: -1841.789
where: short stacking energy: -749.694
Base-Backbone interact. energy: -0.356
local terms energy: -740.307496
where:
bonds (distance) C4'-P energy: -122.317
bonds (distance) P-C4' energy: -134.384
flat angles C4'-P-C4' energy: -147.269
flat angles P-C4'-P energy: -106.692
tors. eta vs tors. theta energy: -229.646
Dist. restrs. and SS energy: 9.807 (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: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2513.459419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.459419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.928387 (E_RNA)
where:
Base-Base interactions energy: -1789.223
where: short stacking energy: -733.272
Base-Backbone interact. energy: -0.689
local terms energy: -729.016707
where:
bonds (distance) C4'-P energy: -125.345
bonds (distance) P-C4' energy: -112.483
flat angles C4'-P-C4' energy: -156.111
flat angles P-C4'-P energy: -109.983
tors. eta vs tors. theta energy: -225.094
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2414.243465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.243465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.614543 (E_RNA)
where:
Base-Base interactions energy: -1702.681
where: short stacking energy: -709.068
Base-Backbone interact. energy: -3.330
local terms energy: -716.603259
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -135.455
flat angles C4'-P-C4' energy: -144.110
flat angles P-C4'-P energy: -100.190
tors. eta vs tors. theta energy: -218.537
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: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2268.361807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.361807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.787374 (E_RNA)
where:
Base-Base interactions energy: -1621.261
where: short stacking energy: -655.641
Base-Backbone interact. energy: 0.756
local terms energy: -652.282951
where:
bonds (distance) C4'-P energy: -108.804
bonds (distance) P-C4' energy: -123.637
flat angles C4'-P-C4' energy: -128.724
flat angles P-C4'-P energy: -96.077
tors. eta vs tors. theta energy: -195.041
Dist. restrs. and SS energy: 4.426 (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: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2126.238717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.238717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.433429 (E_RNA)
where:
Base-Base interactions energy: -1503.770
where: short stacking energy: -625.356
Base-Backbone interact. energy: 0.490
local terms energy: -644.153499
where:
bonds (distance) C4'-P energy: -117.075
bonds (distance) P-C4' energy: -113.685
flat angles C4'-P-C4' energy: -132.489
flat angles P-C4'-P energy: -92.630
tors. eta vs tors. theta energy: -188.275
Dist. restrs. and SS energy: 21.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -2078.951500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.951500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.422175 (E_RNA)
where:
Base-Base interactions energy: -1476.130
where: short stacking energy: -593.061
Base-Backbone interact. energy: 2.654
local terms energy: -619.945558
where:
bonds (distance) C4'-P energy: -112.302
bonds (distance) P-C4' energy: -109.976
flat angles C4'-P-C4' energy: -143.705
flat angles P-C4'-P energy: -68.499
tors. eta vs tors. theta energy: -185.463
Dist. restrs. and SS energy: 14.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1939.803214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.803214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.677647 (E_RNA)
where:
Base-Base interactions energy: -1428.581
where: short stacking energy: -549.998
Base-Backbone interact. energy: -1.709
local terms energy: -526.387800
where:
bonds (distance) C4'-P energy: -99.682
bonds (distance) P-C4' energy: -76.478
flat angles C4'-P-C4' energy: -116.280
flat angles P-C4'-P energy: -80.997
tors. eta vs tors. theta energy: -152.950
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: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2747.149713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.149713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.256202 (E_RNA)
where:
Base-Base interactions energy: -1940.956
where: short stacking energy: -773.628
Base-Backbone interact. energy: -1.968
local terms energy: -810.331636
where:
bonds (distance) C4'-P energy: -139.423
bonds (distance) P-C4' energy: -147.770
flat angles C4'-P-C4' energy: -164.463
flat angles P-C4'-P energy: -122.494
tors. eta vs tors. theta energy: -236.182
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2718.987196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.987196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.690546 (E_RNA)
where:
Base-Base interactions energy: -1932.452
where: short stacking energy: -822.236
Base-Backbone interact. energy: -3.711
local terms energy: -794.527244
where:
bonds (distance) C4'-P energy: -127.372
bonds (distance) P-C4' energy: -134.244
flat angles C4'-P-C4' energy: -164.310
flat angles P-C4'-P energy: -123.502
tors. eta vs tors. theta energy: -245.100
Dist. restrs. and SS energy: 11.703 (S_DIST_RNA)
chem. 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: -2611.014280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.014280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.272090 (E_RNA)
where:
Base-Base interactions energy: -1840.152
where: short stacking energy: -783.442
Base-Backbone interact. energy: -2.950
local terms energy: -775.170479
where:
bonds (distance) C4'-P energy: -135.780
bonds (distance) P-C4' energy: -118.005
flat angles C4'-P-C4' energy: -167.706
flat angles P-C4'-P energy: -111.057
tors. eta vs tors. theta energy: -242.623
Dist. restrs. and SS energy: 7.258 (S_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: 298
Temperature: 1.050000
Total energy: -2562.081806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.081806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.048558 (E_RNA)
where:
Base-Base interactions energy: -1829.568
where: short stacking energy: -739.185
Base-Backbone interact. energy: -0.158
local terms energy: -742.322374
where:
bonds (distance) C4'-P energy: -132.423
bonds (distance) P-C4' energy: -128.672
flat angles C4'-P-C4' energy: -146.879
flat angles P-C4'-P energy: -108.466
tors. eta vs tors. theta energy: -225.883
Dist. restrs. and SS energy: 9.967 (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: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2474.315958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.315958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.330845 (E_RNA)
where:
Base-Base interactions energy: -1752.657
where: short stacking energy: -713.459
Base-Backbone interact. energy: -2.415
local terms energy: -723.259270
where:
bonds (distance) C4'-P energy: -121.388
bonds (distance) P-C4' energy: -129.431
flat angles C4'-P-C4' energy: -146.404
flat angles P-C4'-P energy: -110.804
tors. eta vs tors. theta energy: -215.233
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: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2432.556027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.556027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.012740 (E_RNA)
where:
Base-Base interactions energy: -1743.080
where: short stacking energy: -721.549
Base-Backbone interact. energy: 3.243
local terms energy: -703.176364
where:
bonds (distance) C4'-P energy: -122.646
bonds (distance) P-C4' energy: -135.876
flat angles C4'-P-C4' energy: -132.364
flat angles P-C4'-P energy: -90.573
tors. eta vs tors. theta energy: -221.718
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: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2251.989288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.989288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.573567 (E_RNA)
where:
Base-Base interactions energy: -1587.661
where: short stacking energy: -636.512
Base-Backbone interact. energy: -2.761
local terms energy: -670.151433
where:
bonds (distance) C4'-P energy: -113.904
bonds (distance) P-C4' energy: -108.099
flat angles C4'-P-C4' energy: -149.234
flat angles P-C4'-P energy: -98.300
tors. eta vs tors. theta energy: -200.615
Dist. restrs. and SS energy: 8.584 (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: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2095.975684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.975684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.954685 (E_RNA)
where:
Base-Base interactions energy: -1523.788
where: short stacking energy: -609.683
Base-Backbone interact. energy: -0.348
local terms energy: -587.818965
where:
bonds (distance) C4'-P energy: -93.052
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -132.172
flat angles P-C4'-P energy: -90.279
tors. eta vs tors. theta energy: -173.185
Dist. restrs. and SS energy: 15.979 (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: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -2078.918403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.918403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.511889 (E_RNA)
where:
Base-Base interactions energy: -1488.225
where: short stacking energy: -624.707
Base-Backbone interact. energy: -1.728
local terms energy: -602.559273
where:
bonds (distance) C4'-P energy: -115.691
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -127.151
flat angles P-C4'-P energy: -76.159
tors. eta vs tors. theta energy: -188.841
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: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1908.505480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.505480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.908383 (E_RNA)
where:
Base-Base interactions energy: -1352.093
where: short stacking energy: -536.698
Base-Backbone interact. energy: -2.623
local terms energy: -579.192080
where:
bonds (distance) C4'-P energy: -87.777
bonds (distance) P-C4' energy: -113.566
flat angles C4'-P-C4' energy: -128.146
flat angles P-C4'-P energy: -89.165
tors. eta vs tors. theta energy: -160.539
Dist. restrs. and SS energy: 25.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2772.132269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.132269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.381319 (E_RNA)
where:
Base-Base interactions energy: -1961.685
where: short stacking energy: -797.367
Base-Backbone interact. energy: -2.674
local terms energy: -815.022549
where:
bonds (distance) C4'-P energy: -135.277
bonds (distance) P-C4' energy: -146.110
flat angles C4'-P-C4' energy: -166.139
flat angles P-C4'-P energy: -126.298
tors. eta vs tors. theta energy: -241.198
Dist. restrs. and SS energy: 7.249 (S_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: 299
Temperature: 0.950000
Total energy: -2685.655632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.655632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.057220 (E_RNA)
where:
Base-Base interactions energy: -1901.581
where: short stacking energy: -780.298
Base-Backbone interact. energy: -2.217
local terms energy: -793.259355
where:
bonds (distance) C4'-P energy: -136.108
bonds (distance) P-C4' energy: -131.487
flat angles C4'-P-C4' energy: -163.847
flat angles P-C4'-P energy: -115.360
tors. eta vs tors. theta energy: -246.458
Dist. restrs. and SS energy: 11.402 (S_DIST_RNA)
chem. 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: -2619.781706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.781706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.375526 (E_RNA)
where:
Base-Base interactions energy: -1865.742
where: short stacking energy: -742.294
Base-Backbone interact. energy: -1.470
local terms energy: -758.164105
where:
bonds (distance) C4'-P energy: -125.906
bonds (distance) P-C4' energy: -134.426
flat angles C4'-P-C4' energy: -168.621
flat angles P-C4'-P energy: -104.934
tors. eta vs tors. theta energy: -224.276
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: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2604.862701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.862701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.740964 (E_RNA)
where:
Base-Base interactions energy: -1850.906
where: short stacking energy: -739.007
Base-Backbone interact. energy: -1.168
local terms energy: -760.666100
where:
bonds (distance) C4'-P energy: -125.065
bonds (distance) P-C4' energy: -136.657
flat angles C4'-P-C4' energy: -163.965
flat angles P-C4'-P energy: -105.057
tors. eta vs tors. theta energy: -229.921
Dist. restrs. and SS energy: 7.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2517.854372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.854372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.584254 (E_RNA)
where:
Base-Base interactions energy: -1762.570
where: short stacking energy: -733.702
Base-Backbone interact. energy: -2.425
local terms energy: -756.589748
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -139.402
flat angles C4'-P-C4' energy: -160.609
flat angles P-C4'-P energy: -109.290
tors. eta vs tors. theta energy: -231.050
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2419.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.477887 (E_RNA)
where:
Base-Base interactions energy: -1705.256
where: short stacking energy: -700.321
Base-Backbone interact. energy: -0.305
local terms energy: -725.916930
where:
bonds (distance) C4'-P energy: -101.442
bonds (distance) P-C4' energy: -130.910
flat angles C4'-P-C4' energy: -155.798
flat angles P-C4'-P energy: -105.034
tors. eta vs tors. theta energy: -232.733
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: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2331.279068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.279068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.982911 (E_RNA)
where:
Base-Base interactions energy: -1657.768
where: short stacking energy: -671.876
Base-Backbone interact. energy: -0.867
local terms energy: -683.347634
where:
bonds (distance) C4'-P energy: -102.385
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -152.745
flat angles P-C4'-P energy: -98.093
tors. eta vs tors. theta energy: -214.972
Dist. restrs. and SS energy: 10.704 (S_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: -2179.188948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.188948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.217971 (E_RNA)
where:
Base-Base interactions energy: -1553.333
where: short stacking energy: -616.083
Base-Backbone interact. energy: -0.827
local terms energy: -632.058254
where:
bonds (distance) C4'-P energy: -113.087
bonds (distance) P-C4' energy: -110.583
flat angles C4'-P-C4' energy: -131.045
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -186.349
Dist. restrs. and SS energy: 7.029 (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: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -2036.072757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.072757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.691842 (E_RNA)
where:
Base-Base interactions energy: -1444.076
where: short stacking energy: -581.973
Base-Backbone interact. energy: -2.790
local terms energy: -603.825790
where:
bonds (distance) C4'-P energy: -110.726
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -136.971
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -180.447
Dist. restrs. and SS energy: 14.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1944.259281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.408598 (E_RNA)
where:
Base-Base interactions energy: -1373.709
where: short stacking energy: -538.435
Base-Backbone interact. energy: -0.278
local terms energy: -599.421934
where:
bonds (distance) C4'-P energy: -107.943
bonds (distance) P-C4' energy: -133.419
flat angles C4'-P-C4' energy: -130.119
flat angles P-C4'-P energy: -79.971
tors. eta vs tors. theta energy: -147.970
Dist. restrs. and SS energy: 29.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2750.842617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.842617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.250865 (E_RNA)
where:
Base-Base interactions energy: -1953.271
where: short stacking energy: -799.046
Base-Backbone interact. energy: -3.862
local terms energy: -800.118119
where:
bonds (distance) C4'-P energy: -140.714
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -165.218
flat angles P-C4'-P energy: -109.265
tors. eta vs tors. theta energy: -241.731
Dist. restrs. and SS energy: 6.408 (S_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: 300
Temperature: 0.950000
Total energy: -2679.458117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.458117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.317597 (E_RNA)
where:
Base-Base interactions energy: -1903.926
where: short stacking energy: -783.563
Base-Backbone interact. energy: -0.890
local terms energy: -784.502026
where:
bonds (distance) C4'-P energy: -132.982
bonds (distance) P-C4' energy: -132.861
flat angles C4'-P-C4' energy: -153.048
flat angles P-C4'-P energy: -116.353
tors. eta vs tors. theta energy: -249.259
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: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2655.373316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.373316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.082441 (E_RNA)
where:
Base-Base interactions energy: -1917.218
where: short stacking energy: -784.454
Base-Backbone interact. energy: 0.575
local terms energy: -745.438850
where:
bonds (distance) C4'-P energy: -118.941
bonds (distance) P-C4' energy: -124.353
flat angles C4'-P-C4' energy: -154.884
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -235.658
Dist. restrs. and SS energy: 6.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2566.452647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.452647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.062126 (E_RNA)
where:
Base-Base interactions energy: -1839.842
where: short stacking energy: -737.209
Base-Backbone interact. energy: -1.664
local terms energy: -731.556584
where:
bonds (distance) C4'-P energy: -134.809
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -142.674
flat angles P-C4'-P energy: -101.950
tors. eta vs tors. theta energy: -226.621
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2490.612055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.612055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.283912 (E_RNA)
where:
Base-Base interactions energy: -1742.240
where: short stacking energy: -717.231
Base-Backbone interact. energy: -1.646
local terms energy: -751.397463
where:
bonds (distance) C4'-P energy: -139.720
bonds (distance) P-C4' energy: -126.979
flat angles C4'-P-C4' energy: -154.169
flat angles P-C4'-P energy: -110.223
tors. eta vs tors. theta energy: -220.307
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: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2401.209504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.209504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.528520 (E_RNA)
where:
Base-Base interactions energy: -1686.769
where: short stacking energy: -678.328
Base-Backbone interact. energy: -1.506
local terms energy: -718.253717
where:
bonds (distance) C4'-P energy: -114.697
bonds (distance) P-C4' energy: -131.847
flat angles C4'-P-C4' energy: -153.807
flat angles P-C4'-P energy: -97.362
tors. eta vs tors. theta energy: -220.541
Dist. restrs. and SS energy: 5.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2316.897406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.897406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.122871 (E_RNA)
where:
Base-Base interactions energy: -1658.499
where: short stacking energy: -660.039
Base-Backbone interact. energy: 2.876
local terms energy: -670.499789
where:
bonds (distance) C4'-P energy: -103.106
bonds (distance) P-C4' energy: -131.277
flat angles C4'-P-C4' energy: -146.193
flat angles P-C4'-P energy: -81.243
tors. eta vs tors. theta energy: -208.681
Dist. restrs. and SS energy: 9.225 (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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2290.084721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.084721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.489319 (E_RNA)
where:
Base-Base interactions energy: -1626.935
where: short stacking energy: -663.931
Base-Backbone interact. energy: -0.219
local terms energy: -671.335079
where:
bonds (distance) C4'-P energy: -102.534
bonds (distance) P-C4' energy: -132.210
flat angles C4'-P-C4' energy: -150.846
flat angles P-C4'-P energy: -76.515
tors. eta vs tors. theta energy: -209.231
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: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -2046.068282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.068282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.032845 (E_RNA)
where:
Base-Base interactions energy: -1487.353
where: short stacking energy: -591.918
Base-Backbone interact. energy: 0.205
local terms energy: -577.884138
where:
bonds (distance) C4'-P energy: -115.831
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -124.330
flat angles P-C4'-P energy: -57.356
tors. eta vs tors. theta energy: -161.972
Dist. restrs. and SS energy: 18.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1879.532195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.532195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.070045 (E_RNA)
where:
Base-Base interactions energy: -1329.349
where: short stacking energy: -531.870
Base-Backbone interact. energy: -0.271
local terms energy: -583.450119
where:
bonds (distance) C4'-P energy: -96.565
bonds (distance) P-C4' energy: -112.846
flat angles C4'-P-C4' energy: -129.910
flat angles P-C4'-P energy: -71.053
tors. eta vs tors. theta energy: -173.076
Dist. restrs. and SS energy: 33.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2731.205974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.205974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.490019 (E_RNA)
where:
Base-Base interactions energy: -1954.271
where: short stacking energy: -782.313
Base-Backbone interact. energy: -2.356
local terms energy: -781.862740
where:
bonds (distance) C4'-P energy: -129.358
bonds (distance) P-C4' energy: -134.951
flat angles C4'-P-C4' energy: -161.354
flat angles P-C4'-P energy: -121.655
tors. eta vs tors. theta energy: -234.546
Dist. restrs. and SS energy: 7.284 (S_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: 301
Temperature: 0.950000
Total energy: -2698.239910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.239910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.604771 (E_RNA)
where:
Base-Base interactions energy: -1908.048
where: short stacking energy: -791.646
Base-Backbone interact. energy: -1.914
local terms energy: -799.643270
where:
bonds (distance) C4'-P energy: -156.768
bonds (distance) P-C4' energy: -127.197
flat angles C4'-P-C4' energy: -161.805
flat angles P-C4'-P energy: -112.051
tors. eta vs tors. theta energy: -241.822
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: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2640.385224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.385224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.905804 (E_RNA)
where:
Base-Base interactions energy: -1885.661
where: short stacking energy: -770.615
Base-Backbone interact. energy: -2.939
local terms energy: -759.305541
where:
bonds (distance) C4'-P energy: -119.200
bonds (distance) P-C4' energy: -129.963
flat angles C4'-P-C4' energy: -156.703
flat angles P-C4'-P energy: -118.194
tors. eta vs tors. theta energy: -235.246
Dist. restrs. and SS energy: 7.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2566.292793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.292793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.826298 (E_RNA)
where:
Base-Base interactions energy: -1816.369
where: short stacking energy: -756.134
Base-Backbone interact. energy: -4.047
local terms energy: -753.409562
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -123.390
flat angles C4'-P-C4' energy: -159.989
flat angles P-C4'-P energy: -103.159
tors. eta vs tors. theta energy: -232.447
Dist. restrs. and SS energy: 7.534 (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: 301
Temperature: 1.100000
Total energy: -2490.549702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.549702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.539625 (E_RNA)
where:
Base-Base interactions energy: -1780.515
where: short stacking energy: -714.500
Base-Backbone interact. energy: -1.234
local terms energy: -712.790044
where:
bonds (distance) C4'-P energy: -107.496
bonds (distance) P-C4' energy: -125.500
flat angles C4'-P-C4' energy: -152.236
flat angles P-C4'-P energy: -105.962
tors. eta vs tors. theta energy: -221.596
Dist. restrs. and SS energy: 3.990 (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: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2360.674171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.674171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.033308 (E_RNA)
where:
Base-Base interactions energy: -1676.960
where: short stacking energy: -693.299
Base-Backbone interact. energy: -2.545
local terms energy: -691.528425
where:
bonds (distance) C4'-P energy: -116.717
bonds (distance) P-C4' energy: -126.304
flat angles C4'-P-C4' energy: -134.606
flat angles P-C4'-P energy: -97.697
tors. eta vs tors. theta energy: -216.205
Dist. restrs. and SS energy: 10.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2302.952628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.952628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.979717 (E_RNA)
where:
Base-Base interactions energy: -1619.424
where: short stacking energy: -644.812
Base-Backbone interact. energy: 3.558
local terms energy: -699.113357
where:
bonds (distance) C4'-P energy: -118.061
bonds (distance) P-C4' energy: -124.253
flat angles C4'-P-C4' energy: -151.196
flat angles P-C4'-P energy: -104.796
tors. eta vs tors. theta energy: -200.807
Dist. restrs. and SS energy: 12.027 (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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2233.395025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.395025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.200982 (E_RNA)
where:
Base-Base interactions energy: -1571.377
where: short stacking energy: -631.819
Base-Backbone interact. energy: 0.118
local terms energy: -676.941499
where:
bonds (distance) C4'-P energy: -108.653
bonds (distance) P-C4' energy: -114.119
flat angles C4'-P-C4' energy: -148.212
flat angles P-C4'-P energy: -107.612
tors. eta vs tors. theta energy: -198.345
Dist. restrs. and SS energy: 14.806 (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: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -2070.353371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.353371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.635131 (E_RNA)
where:
Base-Base interactions energy: -1508.756
where: short stacking energy: -590.198
Base-Backbone interact. energy: 4.012
local terms energy: -575.890829
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -101.698
flat angles C4'-P-C4' energy: -134.518
flat angles P-C4'-P energy: -83.816
tors. eta vs tors. theta energy: -161.417
Dist. restrs. and SS energy: 10.282 (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: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1946.188296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.188296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.384349 (E_RNA)
where:
Base-Base interactions energy: -1378.433
where: short stacking energy: -550.657
Base-Backbone interact. energy: -3.611
local terms energy: -587.340441
where:
bonds (distance) C4'-P energy: -102.575
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -127.817
flat angles P-C4'-P energy: -78.157
tors. eta vs tors. theta energy: -161.713
Dist. restrs. and SS energy: 23.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2739.768186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.768186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.847819 (E_RNA)
where:
Base-Base interactions energy: -1942.824
where: short stacking energy: -783.108
Base-Backbone interact. energy: -0.029
local terms energy: -801.994743
where:
bonds (distance) C4'-P energy: -141.916
bonds (distance) P-C4' energy: -147.264
flat angles C4'-P-C4' energy: -162.466
flat angles P-C4'-P energy: -116.557
tors. eta vs tors. theta energy: -233.791
Dist. restrs. and SS energy: 5.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2721.241267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.241267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.945858 (E_RNA)
where:
Base-Base interactions energy: -1909.211
where: short stacking energy: -763.442
Base-Backbone interact. energy: -2.939
local terms energy: -815.795396
where:
bonds (distance) C4'-P energy: -148.669
bonds (distance) P-C4' energy: -141.768
flat angles C4'-P-C4' energy: -165.740
flat angles P-C4'-P energy: -117.960
tors. eta vs tors. theta energy: -241.659
Dist. restrs. and SS energy: 6.705 (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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2673.967398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.967398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.456364 (E_RNA)
where:
Base-Base interactions energy: -1893.718
where: short stacking energy: -770.081
Base-Backbone interact. energy: -3.890
local terms energy: -784.847934
where:
bonds (distance) C4'-P energy: -147.231
bonds (distance) P-C4' energy: -138.744
flat angles C4'-P-C4' energy: -160.513
flat angles P-C4'-P energy: -103.555
tors. eta vs tors. theta energy: -234.806
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2592.468059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.468059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.918940 (E_RNA)
where:
Base-Base interactions energy: -1837.344
where: short stacking energy: -751.744
Base-Backbone interact. energy: -2.760
local terms energy: -757.814698
where:
bonds (distance) C4'-P energy: -124.157
bonds (distance) P-C4' energy: -131.690
flat angles C4'-P-C4' energy: -160.354
flat angles P-C4'-P energy: -108.718
tors. eta vs tors. theta energy: -232.895
Dist. restrs. and SS energy: 5.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2508.396715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.396715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.123806 (E_RNA)
where:
Base-Base interactions energy: -1772.730
where: short stacking energy: -739.109
Base-Backbone interact. energy: -2.543
local terms energy: -736.850761
where:
bonds (distance) C4'-P energy: -118.557
bonds (distance) P-C4' energy: -131.554
flat angles C4'-P-C4' energy: -155.286
flat angles P-C4'-P energy: -91.254
tors. eta vs tors. theta energy: -240.199
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2340.169048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.169048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.567706 (E_RNA)
where:
Base-Base interactions energy: -1668.582
where: short stacking energy: -651.430
Base-Backbone interact. energy: -3.058
local terms energy: -675.927242
where:
bonds (distance) C4'-P energy: -123.967
bonds (distance) P-C4' energy: -128.246
flat angles C4'-P-C4' energy: -147.200
flat angles P-C4'-P energy: -87.514
tors. eta vs tors. theta energy: -189.000
Dist. restrs. and SS energy: 7.399 (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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2289.090922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.090922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.874879 (E_RNA)
where:
Base-Base interactions energy: -1652.410
where: short stacking energy: -636.858
Base-Backbone interact. energy: 5.799
local terms energy: -651.264172
where:
bonds (distance) C4'-P energy: -122.628
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -141.982
flat angles P-C4'-P energy: -82.331
tors. eta vs tors. theta energy: -189.879
Dist. restrs. and SS energy: 8.784 (S_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: 302
Temperature: 1.250000
Total energy: -2194.796831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.796831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.095315 (E_RNA)
where:
Base-Base interactions energy: -1570.503
where: short stacking energy: -635.334
Base-Backbone interact. energy: -1.692
local terms energy: -630.900649
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -117.262
flat angles C4'-P-C4' energy: -135.274
flat angles P-C4'-P energy: -96.573
tors. eta vs tors. theta energy: -181.560
Dist. restrs. and SS energy: 8.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -2043.774716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.774716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.973246 (E_RNA)
where:
Base-Base interactions energy: -1447.276
where: short stacking energy: -565.491
Base-Backbone interact. energy: -1.101
local terms energy: -606.596178
where:
bonds (distance) C4'-P energy: -113.967
bonds (distance) P-C4' energy: -111.485
flat angles C4'-P-C4' energy: -141.885
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -167.101
Dist. restrs. and SS energy: 11.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -2072.584181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.584181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.115954 (E_RNA)
where:
Base-Base interactions energy: -1489.901
where: short stacking energy: -593.665
Base-Backbone interact. energy: 1.954
local terms energy: -602.168754
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -102.829
flat angles C4'-P-C4' energy: -126.238
flat angles P-C4'-P energy: -85.665
tors. eta vs tors. theta energy: -185.244
Dist. restrs. and SS energy: 17.532 (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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2730.695144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.695144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.208440 (E_RNA)
where:
Base-Base interactions energy: -1924.705
where: short stacking energy: -778.395
Base-Backbone interact. energy: -2.671
local terms energy: -808.832866
where:
bonds (distance) C4'-P energy: -137.347
bonds (distance) P-C4' energy: -156.744
flat angles C4'-P-C4' energy: -161.053
flat angles P-C4'-P energy: -118.362
tors. eta vs tors. theta energy: -235.328
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2687.968911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.968911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.213550 (E_RNA)
where:
Base-Base interactions energy: -1934.063
where: short stacking energy: -786.032
Base-Backbone interact. energy: -3.037
local terms energy: -758.113669
where:
bonds (distance) C4'-P energy: -124.655
bonds (distance) P-C4' energy: -124.802
flat angles C4'-P-C4' energy: -158.108
flat angles P-C4'-P energy: -124.837
tors. eta vs tors. theta energy: -225.711
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2643.691636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.691636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.485659 (E_RNA)
where:
Base-Base interactions energy: -1890.959
where: short stacking energy: -754.917
Base-Backbone interact. energy: -4.001
local terms energy: -757.525538
where:
bonds (distance) C4'-P energy: -132.771
bonds (distance) P-C4' energy: -128.182
flat angles C4'-P-C4' energy: -156.071
flat angles P-C4'-P energy: -105.108
tors. eta vs tors. theta energy: -235.395
Dist. restrs. and SS energy: 8.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2591.938663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.938663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.354279 (E_RNA)
where:
Base-Base interactions energy: -1846.419
where: short stacking energy: -729.731
Base-Backbone interact. energy: -0.408
local terms energy: -753.527818
where:
bonds (distance) C4'-P energy: -135.644
bonds (distance) P-C4' energy: -132.473
flat angles C4'-P-C4' energy: -152.232
flat angles P-C4'-P energy: -90.742
tors. eta vs tors. theta energy: -242.436
Dist. restrs. and SS energy: 8.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2520.090483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.090483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.669490 (E_RNA)
where:
Base-Base interactions energy: -1794.932
where: short stacking energy: -727.047
Base-Backbone interact. energy: 4.439
local terms energy: -733.176336
where:
bonds (distance) C4'-P energy: -114.382
bonds (distance) P-C4' energy: -141.191
flat angles C4'-P-C4' energy: -143.963
flat angles P-C4'-P energy: -110.378
tors. eta vs tors. theta energy: -223.261
Dist. restrs. and SS energy: 3.579 (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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2439.566654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.566654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.278658 (E_RNA)
where:
Base-Base interactions energy: -1741.829
where: short stacking energy: -704.302
Base-Backbone interact. energy: -2.179
local terms energy: -702.270849
where:
bonds (distance) C4'-P energy: -124.801
bonds (distance) P-C4' energy: -113.212
flat angles C4'-P-C4' energy: -148.819
flat angles P-C4'-P energy: -96.665
tors. eta vs tors. theta energy: -218.774
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: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2318.710128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.710128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.613611 (E_RNA)
where:
Base-Base interactions energy: -1683.478
where: short stacking energy: -693.358
Base-Backbone interact. energy: -1.912
local terms energy: -647.222970
where:
bonds (distance) C4'-P energy: -110.786
bonds (distance) P-C4' energy: -114.336
flat angles C4'-P-C4' energy: -143.024
flat angles P-C4'-P energy: -73.512
tors. eta vs tors. theta energy: -205.564
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2176.929059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.929059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.459784 (E_RNA)
where:
Base-Base interactions energy: -1550.229
where: short stacking energy: -627.489
Base-Backbone interact. energy: -0.704
local terms energy: -641.527355
where:
bonds (distance) C4'-P energy: -93.594
bonds (distance) P-C4' energy: -111.181
flat angles C4'-P-C4' energy: -141.583
flat angles P-C4'-P energy: -100.291
tors. eta vs tors. theta energy: -194.879
Dist. restrs. and SS energy: 15.531 (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: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -2017.262454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.262454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.566447 (E_RNA)
where:
Base-Base interactions energy: -1461.220
where: short stacking energy: -571.583
Base-Backbone interact. energy: 2.607
local terms energy: -573.953219
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -98.980
flat angles C4'-P-C4' energy: -118.660
flat angles P-C4'-P energy: -84.323
tors. eta vs tors. theta energy: -174.568
Dist. restrs. and SS energy: 15.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1989.720209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.720209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.440719 (E_RNA)
where:
Base-Base interactions energy: -1428.392
where: short stacking energy: -535.155
Base-Backbone interact. energy: -0.641
local terms energy: -586.407823
where:
bonds (distance) C4'-P energy: -107.437
bonds (distance) P-C4' energy: -119.270
flat angles C4'-P-C4' energy: -110.342
flat angles P-C4'-P energy: -78.424
tors. eta vs tors. theta energy: -170.935
Dist. restrs. and SS energy: 25.721 (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: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2749.328576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.328576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.804828 (E_RNA)
where:
Base-Base interactions energy: -1952.489
where: short stacking energy: -800.643
Base-Backbone interact. energy: -4.080
local terms energy: -802.236444
where:
bonds (distance) C4'-P energy: -138.042
bonds (distance) P-C4' energy: -131.122
flat angles C4'-P-C4' energy: -169.924
flat angles P-C4'-P energy: -123.991
tors. eta vs tors. theta energy: -239.157
Dist. restrs. and SS energy: 9.476 (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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2718.569344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.569344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.531664 (E_RNA)
where:
Base-Base interactions energy: -1932.112
where: short stacking energy: -792.011
Base-Backbone interact. energy: -2.493
local terms energy: -789.926397
where:
bonds (distance) C4'-P energy: -129.206
bonds (distance) P-C4' energy: -125.718
flat angles C4'-P-C4' energy: -174.051
flat angles P-C4'-P energy: -119.995
tors. eta vs tors. theta energy: -240.957
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: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2642.227039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.227039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.335123 (E_RNA)
where:
Base-Base interactions energy: -1874.710
where: short stacking energy: -743.017
Base-Backbone interact. energy: -5.110
local terms energy: -773.514579
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -144.074
flat angles C4'-P-C4' energy: -162.349
flat angles P-C4'-P energy: -105.413
tors. eta vs tors. theta energy: -233.744
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2594.163988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.163988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.164699 (E_RNA)
where:
Base-Base interactions energy: -1852.809
where: short stacking energy: -763.304
Base-Backbone interact. energy: -3.060
local terms energy: -745.295525
where:
bonds (distance) C4'-P energy: -124.910
bonds (distance) P-C4' energy: -119.582
flat angles C4'-P-C4' energy: -156.790
flat angles P-C4'-P energy: -103.973
tors. eta vs tors. theta energy: -240.040
Dist. restrs. and SS energy: 7.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2525.409725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.409725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.115279 (E_RNA)
where:
Base-Base interactions energy: -1787.057
where: short stacking energy: -742.694
Base-Backbone interact. energy: -1.143
local terms energy: -741.916024
where:
bonds (distance) C4'-P energy: -139.946
bonds (distance) P-C4' energy: -118.964
flat angles C4'-P-C4' energy: -146.673
flat angles P-C4'-P energy: -101.844
tors. eta vs tors. theta energy: -234.488
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: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2382.333205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.333205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.513925 (E_RNA)
where:
Base-Base interactions energy: -1689.351
where: short stacking energy: -665.723
Base-Backbone interact. energy: -3.347
local terms energy: -698.816266
where:
bonds (distance) C4'-P energy: -112.163
bonds (distance) P-C4' energy: -131.345
flat angles C4'-P-C4' energy: -142.058
flat angles P-C4'-P energy: -101.177
tors. eta vs tors. theta energy: -212.073
Dist. restrs. and SS energy: 9.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2308.957819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.957819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.315246 (E_RNA)
where:
Base-Base interactions energy: -1615.302
where: short stacking energy: -652.202
Base-Backbone interact. energy: -2.304
local terms energy: -698.709542
where:
bonds (distance) C4'-P energy: -121.397
bonds (distance) P-C4' energy: -129.708
flat angles C4'-P-C4' energy: -139.142
flat angles P-C4'-P energy: -93.945
tors. eta vs tors. theta energy: -214.517
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: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2217.248187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.248187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.962568 (E_RNA)
where:
Base-Base interactions energy: -1611.230
where: short stacking energy: -634.010
Base-Backbone interact. energy: -2.249
local terms energy: -614.483885
where:
bonds (distance) C4'-P energy: -105.327
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -94.017
tors. eta vs tors. theta energy: -194.190
Dist. restrs. and SS energy: 10.714 (S_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: 304
Temperature: 1.300000
Total energy: -2115.653818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.653818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.192239 (E_RNA)
where:
Base-Base interactions energy: -1499.853
where: short stacking energy: -596.166
Base-Backbone interact. energy: 0.238
local terms energy: -629.577348
where:
bonds (distance) C4'-P energy: -119.652
bonds (distance) P-C4' energy: -118.553
flat angles C4'-P-C4' energy: -125.304
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -180.598
Dist. restrs. and SS energy: 13.538 (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: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1928.622370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.622370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.761655 (E_RNA)
where:
Base-Base interactions energy: -1385.628
where: short stacking energy: -532.197
Base-Backbone interact. energy: -2.297
local terms energy: -559.836443
where:
bonds (distance) C4'-P energy: -85.645
bonds (distance) P-C4' energy: -123.451
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -77.413
tors. eta vs tors. theta energy: -151.535
Dist. restrs. and SS energy: 19.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2750.509784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.509784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.932660 (E_RNA)
where:
Base-Base interactions energy: -1962.753
where: short stacking energy: -784.547
Base-Backbone interact. energy: -1.837
local terms energy: -794.342735
where:
bonds (distance) C4'-P energy: -142.130
bonds (distance) P-C4' energy: -132.344
flat angles C4'-P-C4' energy: -173.696
flat angles P-C4'-P energy: -115.003
tors. eta vs tors. theta energy: -231.169
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: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2692.987167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.987167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.646920 (E_RNA)
where:
Base-Base interactions energy: -1925.571
where: short stacking energy: -774.586
Base-Backbone interact. energy: -1.068
local terms energy: -773.008125
where:
bonds (distance) C4'-P energy: -133.117
bonds (distance) P-C4' energy: -144.184
flat angles C4'-P-C4' energy: -150.591
flat angles P-C4'-P energy: -115.111
tors. eta vs tors. theta energy: -230.005
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2610.498524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.498524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.732329 (E_RNA)
where:
Base-Base interactions energy: -1868.078
where: short stacking energy: -733.196
Base-Backbone interact. energy: -1.375
local terms energy: -746.279344
where:
bonds (distance) C4'-P energy: -137.580
bonds (distance) P-C4' energy: -126.962
flat angles C4'-P-C4' energy: -155.613
flat angles P-C4'-P energy: -105.491
tors. eta vs tors. theta energy: -220.634
Dist. restrs. and SS energy: 5.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2599.739321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.739321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.771423 (E_RNA)
where:
Base-Base interactions energy: -1866.195
where: short stacking energy: -762.375
Base-Backbone interact. energy: 0.340
local terms energy: -742.915736
where:
bonds (distance) C4'-P energy: -106.232
bonds (distance) P-C4' energy: -142.883
flat angles C4'-P-C4' energy: -164.697
flat angles P-C4'-P energy: -97.090
tors. eta vs tors. theta energy: -232.014
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2477.079655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.079655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.551111 (E_RNA)
where:
Base-Base interactions energy: -1776.805
where: short stacking energy: -724.045
Base-Backbone interact. energy: 6.462
local terms energy: -713.207636
where:
bonds (distance) C4'-P energy: -127.536
bonds (distance) P-C4' energy: -117.393
flat angles C4'-P-C4' energy: -137.831
flat angles P-C4'-P energy: -101.134
tors. eta vs tors. theta energy: -229.314
Dist. restrs. and SS energy: 6.471 (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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2380.217280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.320322 (E_RNA)
where:
Base-Base interactions energy: -1715.872
where: short stacking energy: -690.904
Base-Backbone interact. energy: -1.911
local terms energy: -670.537230
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -117.105
flat angles C4'-P-C4' energy: -142.505
flat angles P-C4'-P energy: -87.651
tors. eta vs tors. theta energy: -209.292
Dist. restrs. and SS energy: 8.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2344.140048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.140048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.134869 (E_RNA)
where:
Base-Base interactions energy: -1685.080
where: short stacking energy: -692.755
Base-Backbone interact. energy: 1.288
local terms energy: -663.342384
where:
bonds (distance) C4'-P energy: -121.414
bonds (distance) P-C4' energy: -111.217
flat angles C4'-P-C4' energy: -139.894
flat angles P-C4'-P energy: -83.445
tors. eta vs tors. theta energy: -207.372
Dist. restrs. and SS energy: 2.995 (S_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: -2223.615402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.615402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.799005 (E_RNA)
where:
Base-Base interactions energy: -1589.775
where: short stacking energy: -630.344
Base-Backbone interact. energy: -3.351
local terms energy: -641.672720
where:
bonds (distance) C4'-P energy: -126.979
bonds (distance) P-C4' energy: -110.570
flat angles C4'-P-C4' energy: -123.177
flat angles P-C4'-P energy: -91.624
tors. eta vs tors. theta energy: -189.322
Dist. restrs. and SS energy: 11.184 (S_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: 305
Temperature: 1.300000
Total energy: -2022.837677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.837677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.090919 (E_RNA)
where:
Base-Base interactions energy: -1430.486
where: short stacking energy: -569.506
Base-Backbone interact. energy: -4.128
local terms energy: -603.477292
where:
bonds (distance) C4'-P energy: -86.553
bonds (distance) P-C4' energy: -126.546
flat angles C4'-P-C4' energy: -115.515
flat angles P-C4'-P energy: -92.782
tors. eta vs tors. theta energy: -182.081
Dist. restrs. and SS energy: 15.253 (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: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1976.109693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.109693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.808379 (E_RNA)
where:
Base-Base interactions energy: -1390.439
where: short stacking energy: -587.343
Base-Backbone interact. energy: -2.058
local terms energy: -606.311202
where:
bonds (distance) C4'-P energy: -89.236
bonds (distance) P-C4' energy: -106.536
flat angles C4'-P-C4' energy: -145.119
flat angles P-C4'-P energy: -80.851
tors. eta vs tors. theta energy: -184.569
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: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2731.166840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.166840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.789689 (E_RNA)
where:
Base-Base interactions energy: -1928.046
where: short stacking energy: -790.452
Base-Backbone interact. energy: -1.795
local terms energy: -809.948837
where:
bonds (distance) C4'-P energy: -146.934
bonds (distance) P-C4' energy: -146.900
flat angles C4'-P-C4' energy: -172.279
flat angles P-C4'-P energy: -113.028
tors. eta vs tors. theta energy: -230.808
Dist. restrs. and SS energy: 8.623 (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: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2703.521635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.139227 (E_RNA)
where:
Base-Base interactions energy: -1915.717
where: short stacking energy: -768.383
Base-Backbone interact. energy: -2.075
local terms energy: -792.347025
where:
bonds (distance) C4'-P energy: -140.358
bonds (distance) P-C4' energy: -141.804
flat angles C4'-P-C4' energy: -158.742
flat angles P-C4'-P energy: -116.458
tors. eta vs tors. theta energy: -234.985
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: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2613.205332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.205332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.207779 (E_RNA)
where:
Base-Base interactions energy: -1871.610
where: short stacking energy: -738.772
Base-Backbone interact. energy: -2.736
local terms energy: -747.862533
where:
bonds (distance) C4'-P energy: -117.931
bonds (distance) P-C4' energy: -136.673
flat angles C4'-P-C4' energy: -152.498
flat angles P-C4'-P energy: -120.011
tors. eta vs tors. theta energy: -220.748
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: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2594.293871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.293871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.874838 (E_RNA)
where:
Base-Base interactions energy: -1867.281
where: short stacking energy: -741.671
Base-Backbone interact. energy: -1.602
local terms energy: -732.991991
where:
bonds (distance) C4'-P energy: -120.472
bonds (distance) P-C4' energy: -121.648
flat angles C4'-P-C4' energy: -153.195
flat angles P-C4'-P energy: -105.771
tors. eta vs tors. theta energy: -231.906
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: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2484.049535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.049535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.547143 (E_RNA)
where:
Base-Base interactions energy: -1749.508
where: short stacking energy: -724.294
Base-Backbone interact. energy: -1.438
local terms energy: -739.600706
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -145.326
flat angles C4'-P-C4' energy: -149.682
flat angles P-C4'-P energy: -105.087
tors. eta vs tors. theta energy: -225.998
Dist. restrs. and SS energy: 6.498 (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: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2473.693626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.693626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.183128 (E_RNA)
where:
Base-Base interactions energy: -1770.175
where: short stacking energy: -723.688
Base-Backbone interact. energy: 1.086
local terms energy: -710.094064
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -107.783
flat angles C4'-P-C4' energy: -164.304
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -233.072
Dist. restrs. and SS energy: 5.490 (S_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: 306
Temperature: 1.200000
Total energy: -2354.808179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.808179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.594971 (E_RNA)
where:
Base-Base interactions energy: -1691.201
where: short stacking energy: -677.179
Base-Backbone interact. energy: -0.343
local terms energy: -670.051448
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -124.229
flat angles C4'-P-C4' energy: -140.861
flat angles P-C4'-P energy: -85.468
tors. eta vs tors. theta energy: -207.855
Dist. restrs. and SS energy: 6.787 (S_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: -2242.856032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.856032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.350669 (E_RNA)
where:
Base-Base interactions energy: -1587.136
where: short stacking energy: -640.432
Base-Backbone interact. energy: -0.874
local terms energy: -665.340489
where:
bonds (distance) C4'-P energy: -110.435
bonds (distance) P-C4' energy: -113.374
flat angles C4'-P-C4' energy: -141.832
flat angles P-C4'-P energy: -102.260
tors. eta vs tors. theta energy: -197.439
Dist. restrs. and SS energy: 10.495 (S_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: 306
Temperature: 1.300000
Total energy: -2059.542174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.542174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.336408 (E_RNA)
where:
Base-Base interactions energy: -1463.071
where: short stacking energy: -577.760
Base-Backbone interact. energy: -1.344
local terms energy: -616.921444
where:
bonds (distance) C4'-P energy: -98.358
bonds (distance) P-C4' energy: -120.008
flat angles C4'-P-C4' energy: -122.370
flat angles P-C4'-P energy: -98.371
tors. eta vs tors. theta energy: -177.813
Dist. restrs. and SS energy: 21.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1997.504410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.504410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.513520 (E_RNA)
where:
Base-Base interactions energy: -1413.448
where: short stacking energy: -561.301
Base-Backbone interact. energy: -2.313
local terms energy: -604.752396
where:
bonds (distance) C4'-P energy: -115.360
bonds (distance) P-C4' energy: -112.949
flat angles C4'-P-C4' energy: -117.041
flat angles P-C4'-P energy: -84.440
tors. eta vs tors. theta energy: -174.963
Dist. restrs. and SS energy: 23.009 (S_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: 307
Temperature: 0.900000
Total energy: -2736.698630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.698630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.765920 (E_RNA)
where:
Base-Base interactions energy: -1942.147
where: short stacking energy: -788.490
Base-Backbone interact. energy: -1.818
local terms energy: -802.800712
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -134.688
flat angles C4'-P-C4' energy: -177.156
flat angles P-C4'-P energy: -118.621
tors. eta vs tors. theta energy: -240.089
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: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2694.926850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.926850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.781030 (E_RNA)
where:
Base-Base interactions energy: -1898.133
where: short stacking energy: -772.758
Base-Backbone interact. energy: -0.085
local terms energy: -803.563218
where:
bonds (distance) C4'-P energy: -141.566
bonds (distance) P-C4' energy: -125.258
flat angles C4'-P-C4' energy: -177.536
flat angles P-C4'-P energy: -121.723
tors. eta vs tors. theta energy: -237.481
Dist. restrs. and SS energy: 6.854 (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: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2606.532376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.532376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.461591 (E_RNA)
where:
Base-Base interactions energy: -1852.328
where: short stacking energy: -737.669
Base-Backbone interact. energy: -2.546
local terms energy: -758.587850
where:
bonds (distance) C4'-P energy: -134.123
bonds (distance) P-C4' energy: -132.640
flat angles C4'-P-C4' energy: -155.822
flat angles P-C4'-P energy: -112.961
tors. eta vs tors. theta energy: -223.042
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: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2600.386709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.386709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.677467 (E_RNA)
where:
Base-Base interactions energy: -1845.210
where: short stacking energy: -746.616
Base-Backbone interact. energy: -3.420
local terms energy: -760.047692
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -131.264
flat angles C4'-P-C4' energy: -152.896
flat angles P-C4'-P energy: -108.785
tors. eta vs tors. theta energy: -242.312
Dist. restrs. and SS energy: 8.291 (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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2432.069951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.069951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.746621 (E_RNA)
where:
Base-Base interactions energy: -1743.825
where: short stacking energy: -721.841
Base-Backbone interact. energy: -1.851
local terms energy: -693.071368
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -87.754
tors. eta vs tors. theta energy: -223.538
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: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2451.038378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.038378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.042188 (E_RNA)
where:
Base-Base interactions energy: -1761.027
where: short stacking energy: -730.261
Base-Backbone interact. energy: -1.702
local terms energy: -701.313550
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -122.413
flat angles C4'-P-C4' energy: -152.810
flat angles P-C4'-P energy: -92.017
tors. eta vs tors. theta energy: -217.856
Dist. restrs. and SS energy: 13.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2286.499070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.499070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.172717 (E_RNA)
where:
Base-Base interactions energy: -1627.684
where: short stacking energy: -652.485
Base-Backbone interact. energy: -0.022
local terms energy: -666.465854
where:
bonds (distance) C4'-P energy: -111.480
bonds (distance) P-C4' energy: -122.705
flat angles C4'-P-C4' energy: -133.484
flat angles P-C4'-P energy: -87.719
tors. eta vs tors. theta energy: -211.079
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: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -2201.634618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.634618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.380698 (E_RNA)
where:
Base-Base interactions energy: -1586.315
where: short stacking energy: -630.058
Base-Backbone interact. energy: 3.008
local terms energy: -630.074032
where:
bonds (distance) C4'-P energy: -102.948
bonds (distance) P-C4' energy: -133.550
flat angles C4'-P-C4' energy: -125.954
flat angles P-C4'-P energy: -80.823
tors. eta vs tors. theta energy: -186.800
Dist. restrs. and SS energy: 11.746 (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: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -2027.445453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.445453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.982874 (E_RNA)
where:
Base-Base interactions energy: -1444.960
where: short stacking energy: -574.221
Base-Backbone interact. energy: -1.708
local terms energy: -602.314674
where:
bonds (distance) C4'-P energy: -106.645
bonds (distance) P-C4' energy: -124.185
flat angles C4'-P-C4' energy: -128.795
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -169.723
Dist. restrs. and SS energy: 21.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -2022.072247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.072247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.223009 (E_RNA)
where:
Base-Base interactions energy: -1420.316
where: short stacking energy: -570.352
Base-Backbone interact. energy: 0.239
local terms energy: -618.146579
where:
bonds (distance) C4'-P energy: -99.522
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -129.686
flat angles P-C4'-P energy: -85.475
tors. eta vs tors. theta energy: -188.525
Dist. restrs. and SS energy: 16.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2746.338632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.338632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.212925 (E_RNA)
where:
Base-Base interactions energy: -1942.879
where: short stacking energy: -791.507
Base-Backbone interact. energy: -1.904
local terms energy: -809.429886
where:
bonds (distance) C4'-P energy: -127.790
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -169.925
flat angles P-C4'-P energy: -125.347
tors. eta vs tors. theta energy: -247.265
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2710.703289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.703289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.465653 (E_RNA)
where:
Base-Base interactions energy: -1924.453
where: short stacking energy: -781.176
Base-Backbone interact. energy: -2.599
local terms energy: -792.414448
where:
bonds (distance) C4'-P energy: -130.648
bonds (distance) P-C4' energy: -143.282
flat angles C4'-P-C4' energy: -169.945
flat angles P-C4'-P energy: -117.915
tors. eta vs tors. theta energy: -230.624
Dist. restrs. and SS energy: 8.762 (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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2607.291118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.291118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.904899 (E_RNA)
where:
Base-Base interactions energy: -1844.681
where: short stacking energy: -752.520
Base-Backbone interact. energy: -5.294
local terms energy: -763.929878
where:
bonds (distance) C4'-P energy: -139.387
bonds (distance) P-C4' energy: -127.856
flat angles C4'-P-C4' energy: -155.952
flat angles P-C4'-P energy: -113.186
tors. eta vs tors. theta energy: -227.550
Dist. restrs. and SS energy: 6.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2628.970956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.970956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.192115 (E_RNA)
where:
Base-Base interactions energy: -1861.595
where: short stacking energy: -759.853
Base-Backbone interact. energy: -3.545
local terms energy: -770.051958
where:
bonds (distance) C4'-P energy: -119.022
bonds (distance) P-C4' energy: -140.261
flat angles C4'-P-C4' energy: -159.075
flat angles P-C4'-P energy: -115.427
tors. eta vs tors. theta energy: -236.266
Dist. restrs. and SS energy: 6.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2492.184033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.184033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.999003 (E_RNA)
where:
Base-Base interactions energy: -1820.323
where: short stacking energy: -727.722
Base-Backbone interact. energy: 5.843
local terms energy: -683.518486
where:
bonds (distance) C4'-P energy: -100.611
bonds (distance) P-C4' energy: -120.889
flat angles C4'-P-C4' energy: -134.519
flat angles P-C4'-P energy: -114.987
tors. eta vs tors. theta energy: -212.513
Dist. restrs. and SS energy: 5.815 (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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2426.868991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.868991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.297185 (E_RNA)
where:
Base-Base interactions energy: -1716.330
where: short stacking energy: -690.989
Base-Backbone interact. energy: -3.012
local terms energy: -713.954686
where:
bonds (distance) C4'-P energy: -134.744
bonds (distance) P-C4' energy: -126.948
flat angles C4'-P-C4' energy: -150.116
flat angles P-C4'-P energy: -90.772
tors. eta vs tors. theta energy: -211.374
Dist. restrs. and SS energy: 6.428 (S_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: 308
Temperature: 1.200000
Total energy: -2377.989288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.989288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.933285 (E_RNA)
where:
Base-Base interactions energy: -1709.538
where: short stacking energy: -703.763
Base-Backbone interact. energy: -1.984
local terms energy: -673.410919
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -111.391
flat angles C4'-P-C4' energy: -143.723
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -225.934
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: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2202.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.278594 (E_RNA)
where:
Base-Base interactions energy: -1598.114
where: short stacking energy: -637.349
Base-Backbone interact. energy: -0.194
local terms energy: -614.971081
where:
bonds (distance) C4'-P energy: -102.437
bonds (distance) P-C4' energy: -115.251
flat angles C4'-P-C4' energy: -118.917
flat angles P-C4'-P energy: -81.252
tors. eta vs tors. theta energy: -197.114
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: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -2093.925894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.925894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.300719 (E_RNA)
where:
Base-Base interactions energy: -1486.935
where: short stacking energy: -593.449
Base-Backbone interact. energy: -1.965
local terms energy: -618.400364
where:
bonds (distance) C4'-P energy: -103.281
bonds (distance) P-C4' energy: -121.195
flat angles C4'-P-C4' energy: -133.241
flat angles P-C4'-P energy: -84.072
tors. eta vs tors. theta energy: -176.611
Dist. restrs. and SS energy: 13.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1956.045552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.045552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.110683 (E_RNA)
where:
Base-Base interactions energy: -1389.679
where: short stacking energy: -554.355
Base-Backbone interact. energy: 1.106
local terms energy: -582.537873
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -125.403
flat angles P-C4'-P energy: -84.257
tors. eta vs tors. theta energy: -163.642
Dist. restrs. and SS energy: 15.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2731.017715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.017715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.976133 (E_RNA)
where:
Base-Base interactions energy: -1936.634
where: short stacking energy: -787.395
Base-Backbone interact. energy: -2.997
local terms energy: -799.345079
where:
bonds (distance) C4'-P energy: -146.328
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -149.418
flat angles P-C4'-P energy: -119.774
tors. eta vs tors. theta energy: -240.498
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: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2717.399109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.399109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.315891 (E_RNA)
where:
Base-Base interactions energy: -1916.241
where: short stacking energy: -799.763
Base-Backbone interact. energy: -3.122
local terms energy: -806.952657
where:
bonds (distance) C4'-P energy: -137.760
bonds (distance) P-C4' energy: -129.329
flat angles C4'-P-C4' energy: -167.839
flat angles P-C4'-P energy: -132.378
tors. eta vs tors. theta energy: -239.646
Dist. restrs. and SS energy: 8.917 (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: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2616.916655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.916655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.964056 (E_RNA)
where:
Base-Base interactions energy: -1851.615
where: short stacking energy: -760.664
Base-Backbone interact. energy: -2.560
local terms energy: -769.789318
where:
bonds (distance) C4'-P energy: -125.017
bonds (distance) P-C4' energy: -134.220
flat angles C4'-P-C4' energy: -164.987
flat angles P-C4'-P energy: -110.896
tors. eta vs tors. theta energy: -234.668
Dist. restrs. and SS energy: 7.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2604.164421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.164421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.414203 (E_RNA)
where:
Base-Base interactions energy: -1844.129
where: short stacking energy: -767.085
Base-Backbone interact. energy: -0.549
local terms energy: -765.736025
where:
bonds (distance) C4'-P energy: -124.399
bonds (distance) P-C4' energy: -124.770
flat angles C4'-P-C4' energy: -159.375
flat angles P-C4'-P energy: -120.842
tors. eta vs tors. theta energy: -236.351
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: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2539.724861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.724861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.997891 (E_RNA)
where:
Base-Base interactions energy: -1794.296
where: short stacking energy: -744.420
Base-Backbone interact. energy: -0.440
local terms energy: -751.261973
where:
bonds (distance) C4'-P energy: -129.870
bonds (distance) P-C4' energy: -112.409
flat angles C4'-P-C4' energy: -162.652
flat angles P-C4'-P energy: -112.760
tors. eta vs tors. theta energy: -233.570
Dist. restrs. and SS energy: 6.273 (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: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2386.206183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.206183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.602969 (E_RNA)
where:
Base-Base interactions energy: -1711.722
where: short stacking energy: -694.981
Base-Backbone interact. energy: -0.757
local terms energy: -681.123264
where:
bonds (distance) C4'-P energy: -120.094
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -140.053
flat angles P-C4'-P energy: -98.006
tors. eta vs tors. theta energy: -197.475
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: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2359.989997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.989997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.155907 (E_RNA)
where:
Base-Base interactions energy: -1692.746
where: short stacking energy: -674.454
Base-Backbone interact. energy: 2.590
local terms energy: -677.000220
where:
bonds (distance) C4'-P energy: -106.219
bonds (distance) P-C4' energy: -125.635
flat angles C4'-P-C4' energy: -147.754
flat angles P-C4'-P energy: -84.794
tors. eta vs tors. theta energy: -212.599
Dist. restrs. and SS energy: 7.166 (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: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2196.496580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.496580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.271202 (E_RNA)
where:
Base-Base interactions energy: -1558.269
where: short stacking energy: -602.329
Base-Backbone interact. energy: 0.848
local terms energy: -650.850891
where:
bonds (distance) C4'-P energy: -117.653
bonds (distance) P-C4' energy: -122.894
flat angles C4'-P-C4' energy: -125.095
flat angles P-C4'-P energy: -83.371
tors. eta vs tors. theta energy: -201.838
Dist. restrs. and SS energy: 11.775 (S_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: 309
Temperature: 1.300000
Total energy: -2074.813121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.813121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.233111 (E_RNA)
where:
Base-Base interactions energy: -1459.699
where: short stacking energy: -607.349
Base-Backbone interact. energy: 4.609
local terms energy: -639.142696
where:
bonds (distance) C4'-P energy: -110.227
bonds (distance) P-C4' energy: -127.676
flat angles C4'-P-C4' energy: -133.479
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -182.923
Dist. restrs. and SS energy: 19.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1953.012738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.012738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.441051 (E_RNA)
where:
Base-Base interactions energy: -1373.609
where: short stacking energy: -552.382
Base-Backbone interact. energy: 2.088
local terms energy: -602.919451
where:
bonds (distance) C4'-P energy: -111.569
bonds (distance) P-C4' energy: -114.365
flat angles C4'-P-C4' energy: -138.002
flat angles P-C4'-P energy: -71.648
tors. eta vs tors. theta energy: -167.337
Dist. restrs. and SS energy: 21.428 (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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2749.550060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.550060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.456367 (E_RNA)
where:
Base-Base interactions energy: -1939.006
where: short stacking energy: -794.416
Base-Backbone interact. energy: -2.553
local terms energy: -815.896983
where:
bonds (distance) C4'-P energy: -135.166
bonds (distance) P-C4' energy: -138.784
flat angles C4'-P-C4' energy: -173.807
flat angles P-C4'-P energy: -120.994
tors. eta vs tors. theta energy: -247.146
Dist. restrs. and SS energy: 7.906 (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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2707.089034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.089034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.265902 (E_RNA)
where:
Base-Base interactions energy: -1925.847
where: short stacking energy: -794.395
Base-Backbone interact. energy: -1.656
local terms energy: -788.763017
where:
bonds (distance) C4'-P energy: -141.265
bonds (distance) P-C4' energy: -128.088
flat angles C4'-P-C4' energy: -166.760
flat angles P-C4'-P energy: -113.973
tors. eta vs tors. theta energy: -238.678
Dist. restrs. and SS energy: 9.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2650.173716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.173716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.434865 (E_RNA)
where:
Base-Base interactions energy: -1882.903
where: short stacking energy: -767.067
Base-Backbone interact. energy: -1.227
local terms energy: -774.305227
where:
bonds (distance) C4'-P energy: -142.836
bonds (distance) P-C4' energy: -141.751
flat angles C4'-P-C4' energy: -157.284
flat angles P-C4'-P energy: -113.722
tors. eta vs tors. theta energy: -218.713
Dist. restrs. and SS energy: 8.261 (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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2593.339471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.339471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.475136 (E_RNA)
where:
Base-Base interactions energy: -1832.984
where: short stacking energy: -733.648
Base-Backbone interact. energy: 0.135
local terms energy: -767.626368
where:
bonds (distance) C4'-P energy: -117.595
bonds (distance) P-C4' energy: -143.061
flat angles C4'-P-C4' energy: -167.070
flat angles P-C4'-P energy: -109.817
tors. eta vs tors. theta energy: -230.083
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: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2545.377794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.377794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.228746 (E_RNA)
where:
Base-Base interactions energy: -1830.677
where: short stacking energy: -730.944
Base-Backbone interact. energy: -2.945
local terms energy: -717.606715
where:
bonds (distance) C4'-P energy: -110.685
bonds (distance) P-C4' energy: -134.280
flat angles C4'-P-C4' energy: -145.625
flat angles P-C4'-P energy: -107.028
tors. eta vs tors. theta energy: -219.987
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: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2431.091244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.091244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.741271 (E_RNA)
where:
Base-Base interactions energy: -1734.560
where: short stacking energy: -686.538
Base-Backbone interact. energy: -2.293
local terms energy: -700.888688
where:
bonds (distance) C4'-P energy: -132.672
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -131.173
flat angles P-C4'-P energy: -98.589
tors. eta vs tors. theta energy: -224.304
Dist. restrs. and SS energy: 6.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2329.800098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.800098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.119448 (E_RNA)
where:
Base-Base interactions energy: -1651.748
where: short stacking energy: -680.002
Base-Backbone interact. energy: -1.074
local terms energy: -683.297381
where:
bonds (distance) C4'-P energy: -111.318
bonds (distance) P-C4' energy: -119.168
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -91.890
tors. eta vs tors. theta energy: -221.394
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: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2198.576954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.576954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.610176 (E_RNA)
where:
Base-Base interactions energy: -1595.685
where: short stacking energy: -641.020
Base-Backbone interact. energy: -4.344
local terms energy: -607.580984
where:
bonds (distance) C4'-P energy: -102.777
bonds (distance) P-C4' energy: -95.672
flat angles C4'-P-C4' energy: -130.850
flat angles P-C4'-P energy: -83.687
tors. eta vs tors. theta energy: -194.595
Dist. restrs. and SS energy: 9.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -2087.215144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.215144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.101163 (E_RNA)
where:
Base-Base interactions energy: -1488.458
where: short stacking energy: -596.512
Base-Backbone interact. energy: -1.841
local terms energy: -614.802150
where:
bonds (distance) C4'-P energy: -125.893
bonds (distance) P-C4' energy: -110.052
flat angles C4'-P-C4' energy: -132.440
flat angles P-C4'-P energy: -70.088
tors. eta vs tors. theta energy: -176.329
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: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1968.471985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.471985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.243111 (E_RNA)
where:
Base-Base interactions energy: -1391.153
where: short stacking energy: -551.948
Base-Backbone interact. energy: -2.452
local terms energy: -592.638933
where:
bonds (distance) C4'-P energy: -122.782
bonds (distance) P-C4' energy: -89.390
flat angles C4'-P-C4' energy: -131.484
flat angles P-C4'-P energy: -79.043
tors. eta vs tors. theta energy: -169.941
Dist. restrs. and SS energy: 17.771 (S_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: 311
Temperature: 0.900000
Total energy: -2755.244669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.244669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.182204 (E_RNA)
where:
Base-Base interactions energy: -1949.683
where: short stacking energy: -802.477
Base-Backbone interact. energy: -2.439
local terms energy: -809.059792
where:
bonds (distance) C4'-P energy: -141.075
bonds (distance) P-C4' energy: -136.222
flat angles C4'-P-C4' energy: -170.344
flat angles P-C4'-P energy: -112.896
tors. eta vs tors. theta energy: -248.523
Dist. restrs. and SS energy: 5.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2714.651956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.651956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.847557 (E_RNA)
where:
Base-Base interactions energy: -1922.276
where: short stacking energy: -791.728
Base-Backbone interact. energy: 2.143
local terms energy: -804.714607
where:
bonds (distance) C4'-P energy: -125.670
bonds (distance) P-C4' energy: -150.071
flat angles C4'-P-C4' energy: -168.693
flat angles P-C4'-P energy: -121.373
tors. eta vs tors. theta energy: -238.908
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: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2629.185134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.185134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.072983 (E_RNA)
where:
Base-Base interactions energy: -1864.471
where: short stacking energy: -760.741
Base-Backbone interact. energy: -2.361
local terms energy: -770.241403
where:
bonds (distance) C4'-P energy: -136.748
bonds (distance) P-C4' energy: -139.797
flat angles C4'-P-C4' energy: -164.701
flat angles P-C4'-P energy: -107.710
tors. eta vs tors. theta energy: -221.285
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: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2609.773754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.773754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.136783 (E_RNA)
where:
Base-Base interactions energy: -1863.176
where: short stacking energy: -750.369
Base-Backbone interact. energy: -0.324
local terms energy: -753.636609
where:
bonds (distance) C4'-P energy: -129.773
bonds (distance) P-C4' energy: -129.965
flat angles C4'-P-C4' energy: -163.700
flat angles P-C4'-P energy: -105.186
tors. eta vs tors. theta energy: -225.012
Dist. restrs. and SS energy: 7.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2515.406854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.406854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.003706 (E_RNA)
where:
Base-Base interactions energy: -1800.458
where: short stacking energy: -722.900
Base-Backbone interact. energy: 0.441
local terms energy: -721.987076
where:
bonds (distance) C4'-P energy: -113.726
bonds (distance) P-C4' energy: -119.902
flat angles C4'-P-C4' energy: -159.778
flat angles P-C4'-P energy: -102.285
tors. eta vs tors. theta energy: -226.297
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2331.233923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.233923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.121655 (E_RNA)
where:
Base-Base interactions energy: -1658.308
where: short stacking energy: -669.329
Base-Backbone interact. energy: -3.006
local terms energy: -685.807275
where:
bonds (distance) C4'-P energy: -110.010
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -142.721
flat angles P-C4'-P energy: -92.724
tors. eta vs tors. theta energy: -212.454
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2331.439742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.439742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.738539 (E_RNA)
where:
Base-Base interactions energy: -1642.676
where: short stacking energy: -656.768
Base-Backbone interact. energy: -4.584
local terms energy: -692.478505
where:
bonds (distance) C4'-P energy: -133.285
bonds (distance) P-C4' energy: -104.727
flat angles C4'-P-C4' energy: -143.273
flat angles P-C4'-P energy: -98.080
tors. eta vs tors. theta energy: -213.113
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: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2182.643252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.643252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.556840 (E_RNA)
where:
Base-Base interactions energy: -1599.329
where: short stacking energy: -625.599
Base-Backbone interact. energy: -3.329
local terms energy: -590.899337
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -109.276
flat angles C4'-P-C4' energy: -130.276
flat angles P-C4'-P energy: -74.088
tors. eta vs tors. theta energy: -186.648
Dist. restrs. and SS energy: 10.914 (S_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: 311
Temperature: 1.300000
Total energy: -2062.709906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.709906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.739711 (E_RNA)
where:
Base-Base interactions energy: -1496.919
where: short stacking energy: -586.628
Base-Backbone interact. energy: 0.876
local terms energy: -581.696669
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -94.744
flat angles C4'-P-C4' energy: -123.002
flat angles P-C4'-P energy: -83.271
tors. eta vs tors. theta energy: -176.788
Dist. restrs. and SS energy: 15.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1955.334590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.334590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.741540 (E_RNA)
where:
Base-Base interactions energy: -1387.531
where: short stacking energy: -550.722
Base-Backbone interact. energy: 0.626
local terms energy: -584.836232
where:
bonds (distance) C4'-P energy: -103.972
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -128.177
flat angles P-C4'-P energy: -63.667
tors. eta vs tors. theta energy: -165.477
Dist. restrs. and SS energy: 16.407 (S_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: 312
Temperature: 0.900000
Total energy: -2741.207644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.207644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.910664 (E_RNA)
where:
Base-Base interactions energy: -1939.054
where: short stacking energy: -794.015
Base-Backbone interact. energy: -1.917
local terms energy: -808.939557
where:
bonds (distance) C4'-P energy: -122.871
bonds (distance) P-C4' energy: -149.677
flat angles C4'-P-C4' energy: -174.292
flat angles P-C4'-P energy: -114.281
tors. eta vs tors. theta energy: -247.818
Dist. restrs. and SS energy: 8.703 (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: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2671.320704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.320704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.728122 (E_RNA)
where:
Base-Base interactions energy: -1882.718
where: short stacking energy: -760.644
Base-Backbone interact. energy: -2.845
local terms energy: -792.165161
where:
bonds (distance) C4'-P energy: -124.356
bonds (distance) P-C4' energy: -138.800
flat angles C4'-P-C4' energy: -173.882
flat angles P-C4'-P energy: -120.434
tors. eta vs tors. theta energy: -234.693
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: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2616.817102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.817102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.318977 (E_RNA)
where:
Base-Base interactions energy: -1869.040
where: short stacking energy: -769.665
Base-Backbone interact. energy: 4.228
local terms energy: -760.507594
where:
bonds (distance) C4'-P energy: -125.915
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -157.003
flat angles P-C4'-P energy: -114.843
tors. eta vs tors. theta energy: -235.971
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: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2549.451734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.451734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.082640 (E_RNA)
where:
Base-Base interactions energy: -1827.784
where: short stacking energy: -712.155
Base-Backbone interact. energy: 1.662
local terms energy: -730.961288
where:
bonds (distance) C4'-P energy: -126.489
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -151.917
flat angles P-C4'-P energy: -107.202
tors. eta vs tors. theta energy: -230.342
Dist. restrs. and SS energy: 7.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2560.023038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.023038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.793075 (E_RNA)
where:
Base-Base interactions energy: -1807.430
where: short stacking energy: -737.211
Base-Backbone interact. energy: -1.767
local terms energy: -758.596440
where:
bonds (distance) C4'-P energy: -137.796
bonds (distance) P-C4' energy: -124.248
flat angles C4'-P-C4' energy: -159.714
flat angles P-C4'-P energy: -105.582
tors. eta vs tors. theta energy: -231.257
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2405.970675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.970675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.904106 (E_RNA)
where:
Base-Base interactions energy: -1715.097
where: short stacking energy: -708.962
Base-Backbone interact. energy: -2.151
local terms energy: -696.656244
where:
bonds (distance) C4'-P energy: -106.877
bonds (distance) P-C4' energy: -126.519
flat angles C4'-P-C4' energy: -134.469
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -230.467
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2354.543178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.492014 (E_RNA)
where:
Base-Base interactions energy: -1690.894
where: short stacking energy: -669.315
Base-Backbone interact. energy: -4.478
local terms energy: -667.120120
where:
bonds (distance) C4'-P energy: -120.082
bonds (distance) P-C4' energy: -113.526
flat angles C4'-P-C4' energy: -145.161
flat angles P-C4'-P energy: -79.789
tors. eta vs tors. theta energy: -208.561
Dist. restrs. and SS energy: 7.949 (S_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: -2154.833752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.833752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.510403 (E_RNA)
where:
Base-Base interactions energy: -1521.815
where: short stacking energy: -594.952
Base-Backbone interact. energy: 1.858
local terms energy: -644.553615
where:
bonds (distance) C4'-P energy: -107.261
bonds (distance) P-C4' energy: -125.629
flat angles C4'-P-C4' energy: -145.451
flat angles P-C4'-P energy: -92.974
tors. eta vs tors. theta energy: -173.239
Dist. restrs. and SS energy: 9.677 (S_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: 312
Temperature: 1.300000
Total energy: -2017.331109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.331109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.068065 (E_RNA)
where:
Base-Base interactions energy: -1461.988
where: short stacking energy: -591.488
Base-Backbone interact. energy: 1.141
local terms energy: -575.221062
where:
bonds (distance) C4'-P energy: -83.427
bonds (distance) P-C4' energy: -105.792
flat angles C4'-P-C4' energy: -130.806
flat angles P-C4'-P energy: -81.272
tors. eta vs tors. theta energy: -173.924
Dist. restrs. and SS energy: 18.737 (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: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1911.575689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.575689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.188305 (E_RNA)
where:
Base-Base interactions energy: -1349.096
where: short stacking energy: -552.951
Base-Backbone interact. energy: -2.149
local terms energy: -591.943339
where:
bonds (distance) C4'-P energy: -108.926
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -136.306
flat angles P-C4'-P energy: -67.096
tors. eta vs tors. theta energy: -176.753
Dist. restrs. and SS energy: 31.613 (S_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: 313
Temperature: 0.900000
Total energy: -2766.713159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.713159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.682527 (E_RNA)
where:
Base-Base interactions energy: -1959.827
where: short stacking energy: -817.649
Base-Backbone interact. energy: 1.419
local terms energy: -816.274739
where:
bonds (distance) C4'-P energy: -133.180
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -169.100
flat angles P-C4'-P energy: -131.911
tors. eta vs tors. theta energy: -251.171
Dist. restrs. and SS energy: 7.969 (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: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2681.178062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.178062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.172759 (E_RNA)
where:
Base-Base interactions energy: -1881.917
where: short stacking energy: -780.107
Base-Backbone interact. energy: -2.710
local terms energy: -805.545675
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -129.342
flat angles C4'-P-C4' energy: -166.428
flat angles P-C4'-P energy: -119.134
tors. eta vs tors. theta energy: -252.764
Dist. restrs. and SS energy: 8.995 (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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2635.864436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.864436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.099211 (E_RNA)
where:
Base-Base interactions energy: -1860.329
where: short stacking energy: -751.316
Base-Backbone interact. energy: -0.889
local terms energy: -782.881173
where:
bonds (distance) C4'-P energy: -131.348
bonds (distance) P-C4' energy: -145.758
flat angles C4'-P-C4' energy: -162.814
flat angles P-C4'-P energy: -113.956
tors. eta vs tors. theta energy: -229.005
Dist. restrs. and SS energy: 8.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2604.510158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.510158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.393718 (E_RNA)
where:
Base-Base interactions energy: -1838.640
where: short stacking energy: -732.368
Base-Backbone interact. energy: -0.929
local terms energy: -772.824157
where:
bonds (distance) C4'-P energy: -122.620
bonds (distance) P-C4' energy: -136.293
flat angles C4'-P-C4' energy: -158.313
flat angles P-C4'-P energy: -115.635
tors. eta vs tors. theta energy: -239.964
Dist. restrs. and SS energy: 7.884 (S_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: 313
Temperature: 1.100000
Total energy: -2510.773056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.773056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.220341 (E_RNA)
where:
Base-Base interactions energy: -1799.632
where: short stacking energy: -709.948
Base-Backbone interact. energy: -1.449
local terms energy: -720.139590
where:
bonds (distance) C4'-P energy: -116.312
bonds (distance) P-C4' energy: -119.138
flat angles C4'-P-C4' energy: -141.032
flat angles P-C4'-P energy: -117.514
tors. eta vs tors. theta energy: -226.144
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: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2428.231257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.231257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.172961 (E_RNA)
where:
Base-Base interactions energy: -1733.742
where: short stacking energy: -706.984
Base-Backbone interact. energy: -0.640
local terms energy: -701.791359
where:
bonds (distance) C4'-P energy: -115.908
bonds (distance) P-C4' energy: -128.955
flat angles C4'-P-C4' energy: -141.884
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -219.627
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: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2279.519131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.519131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.495317 (E_RNA)
where:
Base-Base interactions energy: -1617.982
where: short stacking energy: -657.671
Base-Backbone interact. energy: -2.422
local terms energy: -665.091630
where:
bonds (distance) C4'-P energy: -106.881
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -135.272
flat angles P-C4'-P energy: -80.557
tors. eta vs tors. theta energy: -204.155
Dist. restrs. and SS energy: 5.976 (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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2140.724379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.724379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.326430 (E_RNA)
where:
Base-Base interactions energy: -1539.424
where: short stacking energy: -612.792
Base-Backbone interact. energy: 0.688
local terms energy: -624.590202
where:
bonds (distance) C4'-P energy: -114.843
bonds (distance) P-C4' energy: -104.034
flat angles C4'-P-C4' energy: -144.141
flat angles P-C4'-P energy: -79.268
tors. eta vs tors. theta energy: -182.304
Dist. restrs. and SS energy: 22.602 (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: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -2092.440230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.242531 (E_RNA)
where:
Base-Base interactions energy: -1487.638
where: short stacking energy: -591.836
Base-Backbone interact. energy: -0.202
local terms energy: -619.402876
where:
bonds (distance) C4'-P energy: -116.779
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -129.488
flat angles P-C4'-P energy: -87.652
tors. eta vs tors. theta energy: -176.781
Dist. restrs. and SS energy: 14.802 (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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1933.730038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.730038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.340656 (E_RNA)
where:
Base-Base interactions energy: -1352.183
where: short stacking energy: -521.165
Base-Backbone interact. energy: -2.051
local terms energy: -605.106060
where:
bonds (distance) C4'-P energy: -119.716
bonds (distance) P-C4' energy: -119.940
flat angles C4'-P-C4' energy: -123.613
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -172.984
Dist. restrs. and SS energy: 25.611 (S_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: 314
Temperature: 0.900000
Total energy: -2755.664732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.664732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.949984 (E_RNA)
where:
Base-Base interactions energy: -1928.997
where: short stacking energy: -798.471
Base-Backbone interact. energy: -0.109
local terms energy: -833.844286
where:
bonds (distance) C4'-P energy: -144.928
bonds (distance) P-C4' energy: -150.241
flat angles C4'-P-C4' energy: -172.973
flat angles P-C4'-P energy: -123.303
tors. eta vs tors. theta energy: -242.398
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: 314
Temperature: 0.950000
Total energy: -2700.990272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.990272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.583104 (E_RNA)
where:
Base-Base interactions energy: -1923.108
where: short stacking energy: -796.030
Base-Backbone interact. energy: -0.162
local terms energy: -786.312776
where:
bonds (distance) C4'-P energy: -132.302
bonds (distance) P-C4' energy: -129.852
flat angles C4'-P-C4' energy: -167.537
flat angles P-C4'-P energy: -111.176
tors. eta vs tors. theta energy: -245.447
Dist. restrs. and SS energy: 8.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2627.669173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.669173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.044640 (E_RNA)
where:
Base-Base interactions energy: -1856.017
where: short stacking energy: -776.933
Base-Backbone interact. energy: -1.451
local terms energy: -776.576367
where:
bonds (distance) C4'-P energy: -127.004
bonds (distance) P-C4' energy: -139.912
flat angles C4'-P-C4' energy: -159.307
flat angles P-C4'-P energy: -112.624
tors. eta vs tors. theta energy: -237.730
Dist. restrs. and SS energy: 6.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2552.003587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.003587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.367963 (E_RNA)
where:
Base-Base interactions energy: -1805.493
where: short stacking energy: -724.085
Base-Backbone interact. energy: -1.386
local terms energy: -753.488436
where:
bonds (distance) C4'-P energy: -122.696
bonds (distance) P-C4' energy: -134.503
flat angles C4'-P-C4' energy: -155.410
flat angles P-C4'-P energy: -110.837
tors. eta vs tors. theta energy: -230.042
Dist. restrs. and SS energy: 8.364 (S_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: 314
Temperature: 1.100000
Total energy: -2534.341738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.341738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.124684 (E_RNA)
where:
Base-Base interactions energy: -1797.681
where: short stacking energy: -740.288
Base-Backbone interact. energy: 0.861
local terms energy: -746.304270
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -120.660
flat angles C4'-P-C4' energy: -156.998
flat angles P-C4'-P energy: -101.309
tors. eta vs tors. theta energy: -235.120
Dist. restrs. and SS energy: 8.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2424.078288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.078288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.500540 (E_RNA)
where:
Base-Base interactions energy: -1731.572
where: short stacking energy: -684.672
Base-Backbone interact. energy: -1.366
local terms energy: -695.562421
where:
bonds (distance) C4'-P energy: -113.138
bonds (distance) P-C4' energy: -103.289
flat angles C4'-P-C4' energy: -148.007
flat angles P-C4'-P energy: -106.987
tors. eta vs tors. theta energy: -224.140
Dist. restrs. and SS energy: 4.422 (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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2289.362072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.362072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.971565 (E_RNA)
where:
Base-Base interactions energy: -1622.824
where: short stacking energy: -656.105
Base-Backbone interact. energy: -2.642
local terms energy: -673.505421
where:
bonds (distance) C4'-P energy: -105.594
bonds (distance) P-C4' energy: -126.375
flat angles C4'-P-C4' energy: -141.034
flat angles P-C4'-P energy: -90.660
tors. eta vs tors. theta energy: -209.842
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: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2160.674321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.674321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.731024 (E_RNA)
where:
Base-Base interactions energy: -1553.344
where: short stacking energy: -634.849
Base-Backbone interact. energy: -2.707
local terms energy: -619.679273
where:
bonds (distance) C4'-P energy: -101.381
bonds (distance) P-C4' energy: -120.456
flat angles C4'-P-C4' energy: -128.098
flat angles P-C4'-P energy: -85.824
tors. eta vs tors. theta energy: -183.920
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: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -2114.258595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.258595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.097619 (E_RNA)
where:
Base-Base interactions energy: -1508.066
where: short stacking energy: -592.836
Base-Backbone interact. energy: -3.746
local terms energy: -614.285551
where:
bonds (distance) C4'-P energy: -124.578
bonds (distance) P-C4' energy: -103.410
flat angles C4'-P-C4' energy: -122.617
flat angles P-C4'-P energy: -90.743
tors. eta vs tors. theta energy: -172.937
Dist. restrs. and SS energy: 11.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1939.223460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.223460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.734350 (E_RNA)
where:
Base-Base interactions energy: -1409.903
where: short stacking energy: -555.581
Base-Backbone interact. energy: -0.302
local terms energy: -553.529558
where:
bonds (distance) C4'-P energy: -102.925
bonds (distance) P-C4' energy: -99.282
flat angles C4'-P-C4' energy: -122.274
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -160.688
Dist. restrs. and SS energy: 24.511 (S_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: 315
Temperature: 0.900000
Total energy: -2752.943708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.943708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.080575 (E_RNA)
where:
Base-Base interactions energy: -1965.401
where: short stacking energy: -811.851
Base-Backbone interact. energy: -1.077
local terms energy: -793.602215
where:
bonds (distance) C4'-P energy: -136.547
bonds (distance) P-C4' energy: -136.818
flat angles C4'-P-C4' energy: -158.360
flat angles P-C4'-P energy: -117.901
tors. eta vs tors. theta energy: -243.976
Dist. restrs. and SS energy: 7.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2705.450504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.450504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.505806 (E_RNA)
where:
Base-Base interactions energy: -1938.133
where: short stacking energy: -788.738
Base-Backbone interact. energy: -2.986
local terms energy: -771.387013
where:
bonds (distance) C4'-P energy: -124.678
bonds (distance) P-C4' energy: -136.892
flat angles C4'-P-C4' energy: -164.343
flat angles P-C4'-P energy: -100.361
tors. eta vs tors. theta energy: -245.113
Dist. restrs. and SS energy: 7.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2616.476639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.476639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.758907 (E_RNA)
where:
Base-Base interactions energy: -1870.201
where: short stacking energy: -761.124
Base-Backbone interact. energy: -2.039
local terms energy: -753.519304
where:
bonds (distance) C4'-P energy: -115.475
bonds (distance) P-C4' energy: -135.695
flat angles C4'-P-C4' energy: -157.454
flat angles P-C4'-P energy: -113.029
tors. eta vs tors. theta energy: -231.866
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2535.300080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.300080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.386042 (E_RNA)
where:
Base-Base interactions energy: -1822.939
where: short stacking energy: -727.417
Base-Backbone interact. energy: -1.374
local terms energy: -718.073024
where:
bonds (distance) C4'-P energy: -101.360
bonds (distance) P-C4' energy: -126.786
flat angles C4'-P-C4' energy: -145.932
flat angles P-C4'-P energy: -120.243
tors. eta vs tors. theta energy: -223.752
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: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2518.353474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.353474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.645614 (E_RNA)
where:
Base-Base interactions energy: -1788.257
where: short stacking energy: -739.704
Base-Backbone interact. energy: -1.169
local terms energy: -736.219344
where:
bonds (distance) C4'-P energy: -135.441
bonds (distance) P-C4' energy: -122.548
flat angles C4'-P-C4' energy: -148.148
flat angles P-C4'-P energy: -102.683
tors. eta vs tors. theta energy: -227.400
Dist. restrs. and SS energy: 7.292 (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: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2380.131571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.131571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.509278 (E_RNA)
where:
Base-Base interactions energy: -1707.510
where: short stacking energy: -696.238
Base-Backbone interact. energy: -1.287
local terms energy: -677.712684
where:
bonds (distance) C4'-P energy: -130.058
bonds (distance) P-C4' energy: -116.083
flat angles C4'-P-C4' energy: -134.381
flat angles P-C4'-P energy: -90.761
tors. eta vs tors. theta energy: -206.430
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: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2337.499533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.499533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.835127 (E_RNA)
where:
Base-Base interactions energy: -1649.476
where: short stacking energy: -671.218
Base-Backbone interact. energy: -4.384
local terms energy: -690.975061
where:
bonds (distance) C4'-P energy: -122.605
bonds (distance) P-C4' energy: -138.932
flat angles C4'-P-C4' energy: -130.984
flat angles P-C4'-P energy: -89.483
tors. eta vs tors. theta energy: -208.971
Dist. restrs. and SS energy: 7.336 (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: 315
Temperature: 1.250000
Total energy: -2179.459460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.459460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.251216 (E_RNA)
where:
Base-Base interactions energy: -1524.076
where: short stacking energy: -625.710
Base-Backbone interact. energy: -0.299
local terms energy: -663.876733
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -108.423
flat angles C4'-P-C4' energy: -155.564
flat angles P-C4'-P energy: -92.849
tors. eta vs tors. theta energy: -201.378
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: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -2111.553307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.553307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.795060 (E_RNA)
where:
Base-Base interactions energy: -1503.096
where: short stacking energy: -591.709
Base-Backbone interact. energy: -3.476
local terms energy: -625.223140
where:
bonds (distance) C4'-P energy: -100.983
bonds (distance) P-C4' energy: -130.754
flat angles C4'-P-C4' energy: -125.787
flat angles P-C4'-P energy: -81.158
tors. eta vs tors. theta energy: -186.541
Dist. restrs. and SS energy: 20.242 (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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1972.546607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.546607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.336394 (E_RNA)
where:
Base-Base interactions energy: -1412.367
where: short stacking energy: -583.635
Base-Backbone interact. energy: 2.138
local terms energy: -583.107477
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -107.448
flat angles C4'-P-C4' energy: -121.432
flat angles P-C4'-P energy: -80.533
tors. eta vs tors. theta energy: -166.987
Dist. restrs. and SS energy: 20.790 (S_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: 316
Temperature: 0.900000
Total energy: -2760.267929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.267929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.496310 (E_RNA)
where:
Base-Base interactions energy: -1950.344
where: short stacking energy: -815.025
Base-Backbone interact. energy: -3.339
local terms energy: -814.813049
where:
bonds (distance) C4'-P energy: -137.724
bonds (distance) P-C4' energy: -145.353
flat angles C4'-P-C4' energy: -161.589
flat angles P-C4'-P energy: -120.331
tors. eta vs tors. theta energy: -249.816
Dist. restrs. and SS energy: 8.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2713.414162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.414162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.495728 (E_RNA)
where:
Base-Base interactions energy: -1923.839
where: short stacking energy: -789.096
Base-Backbone interact. energy: -1.289
local terms energy: -797.368159
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -133.281
flat angles C4'-P-C4' energy: -171.628
flat angles P-C4'-P energy: -117.240
tors. eta vs tors. theta energy: -246.901
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2628.783190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.783190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.454166 (E_RNA)
where:
Base-Base interactions energy: -1877.370
where: short stacking energy: -770.663
Base-Backbone interact. energy: -1.746
local terms energy: -756.338672
where:
bonds (distance) C4'-P energy: -129.758
bonds (distance) P-C4' energy: -132.112
flat angles C4'-P-C4' energy: -152.416
flat angles P-C4'-P energy: -110.904
tors. eta vs tors. theta energy: -231.148
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: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2528.320550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.320550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.677706 (E_RNA)
where:
Base-Base interactions energy: -1800.960
where: short stacking energy: -710.062
Base-Backbone interact. energy: -1.172
local terms energy: -733.545624
where:
bonds (distance) C4'-P energy: -127.157
bonds (distance) P-C4' energy: -133.717
flat angles C4'-P-C4' energy: -150.755
flat angles P-C4'-P energy: -100.250
tors. eta vs tors. theta energy: -221.668
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: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2530.554085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.554085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.050426 (E_RNA)
where:
Base-Base interactions energy: -1816.137
where: short stacking energy: -721.992
Base-Backbone interact. energy: -1.343
local terms energy: -721.570298
where:
bonds (distance) C4'-P energy: -120.023
bonds (distance) P-C4' energy: -124.762
flat angles C4'-P-C4' energy: -155.586
flat angles P-C4'-P energy: -99.598
tors. eta vs tors. theta energy: -221.601
Dist. restrs. and SS energy: 8.496 (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: 316
Temperature: 1.150000
Total energy: -2410.273739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.273739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.211255 (E_RNA)
where:
Base-Base interactions energy: -1739.845
where: short stacking energy: -705.234
Base-Backbone interact. energy: 1.775
local terms energy: -682.141244
where:
bonds (distance) C4'-P energy: -130.568
bonds (distance) P-C4' energy: -111.482
flat angles C4'-P-C4' energy: -138.502
flat angles P-C4'-P energy: -93.991
tors. eta vs tors. theta energy: -207.599
Dist. restrs. and SS energy: 9.938 (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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2330.024580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.024580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.005633 (E_RNA)
where:
Base-Base interactions energy: -1655.030
where: short stacking energy: -688.230
Base-Backbone interact. energy: 3.584
local terms energy: -684.560006
where:
bonds (distance) C4'-P energy: -121.090
bonds (distance) P-C4' energy: -112.305
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -96.457
tors. eta vs tors. theta energy: -216.292
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: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2175.888717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.888717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.853933 (E_RNA)
where:
Base-Base interactions energy: -1564.399
where: short stacking energy: -630.960
Base-Backbone interact. energy: -3.317
local terms energy: -621.137663
where:
bonds (distance) C4'-P energy: -105.814
bonds (distance) P-C4' energy: -101.714
flat angles C4'-P-C4' energy: -144.188
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -179.012
Dist. restrs. and SS energy: 12.965 (S_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: 316
Temperature: 1.300000
Total energy: -2077.180332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.180332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.065352 (E_RNA)
where:
Base-Base interactions energy: -1496.134
where: short stacking energy: -601.436
Base-Backbone interact. energy: -0.352
local terms energy: -591.579712
where:
bonds (distance) C4'-P energy: -105.944
bonds (distance) P-C4' energy: -97.261
flat angles C4'-P-C4' energy: -113.414
flat angles P-C4'-P energy: -86.284
tors. eta vs tors. theta energy: -188.677
Dist. restrs. and SS energy: 10.885 (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: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1936.265590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.265590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.495493 (E_RNA)
where:
Base-Base interactions energy: -1383.245
where: short stacking energy: -551.184
Base-Backbone interact. energy: 0.461
local terms energy: -578.711357
where:
bonds (distance) C4'-P energy: -91.089
bonds (distance) P-C4' energy: -101.762
flat angles C4'-P-C4' energy: -118.940
flat angles P-C4'-P energy: -86.144
tors. eta vs tors. theta energy: -180.776
Dist. restrs. and SS energy: 25.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2740.198795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.198795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.905641 (E_RNA)
where:
Base-Base interactions energy: -1936.480
where: short stacking energy: -805.153
Base-Backbone interact. energy: 0.181
local terms energy: -811.607211
where:
bonds (distance) C4'-P energy: -148.874
bonds (distance) P-C4' energy: -147.756
flat angles C4'-P-C4' energy: -160.130
flat angles P-C4'-P energy: -107.782
tors. eta vs tors. theta energy: -247.065
Dist. restrs. and SS energy: 7.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2717.535740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.535740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.400974 (E_RNA)
where:
Base-Base interactions energy: -1925.453
where: short stacking energy: -792.794
Base-Backbone interact. energy: -0.484
local terms energy: -798.464135
where:
bonds (distance) C4'-P energy: -144.720
bonds (distance) P-C4' energy: -142.361
flat angles C4'-P-C4' energy: -166.522
flat angles P-C4'-P energy: -109.796
tors. eta vs tors. theta energy: -235.065
Dist. restrs. and SS energy: 6.865 (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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2663.587269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.587269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.997578 (E_RNA)
where:
Base-Base interactions energy: -1897.750
where: short stacking energy: -788.738
Base-Backbone interact. energy: -1.025
local terms energy: -772.222983
where:
bonds (distance) C4'-P energy: -123.650
bonds (distance) P-C4' energy: -138.251
flat angles C4'-P-C4' energy: -163.084
flat angles P-C4'-P energy: -105.614
tors. eta vs tors. theta energy: -241.624
Dist. restrs. and SS energy: 7.410 (S_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: 317
Temperature: 1.050000
Total energy: -2587.672066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.672066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.722098 (E_RNA)
where:
Base-Base interactions energy: -1855.261
where: short stacking energy: -746.103
Base-Backbone interact. energy: -1.162
local terms energy: -736.299073
where:
bonds (distance) C4'-P energy: -131.216
bonds (distance) P-C4' energy: -120.876
flat angles C4'-P-C4' energy: -151.627
flat angles P-C4'-P energy: -103.927
tors. eta vs tors. theta energy: -228.652
Dist. restrs. and SS energy: 5.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2514.134915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.134915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.698217 (E_RNA)
where:
Base-Base interactions energy: -1782.376
where: short stacking energy: -710.711
Base-Backbone interact. energy: 4.843
local terms energy: -744.165034
where:
bonds (distance) C4'-P energy: -133.655
bonds (distance) P-C4' energy: -124.443
flat angles C4'-P-C4' energy: -158.205
flat angles P-C4'-P energy: -109.542
tors. eta vs tors. theta energy: -218.321
Dist. restrs. and SS energy: 7.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2422.142441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.142441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.318882 (E_RNA)
where:
Base-Base interactions energy: -1734.881
where: short stacking energy: -696.293
Base-Backbone interact. energy: -1.905
local terms energy: -691.533592
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -108.645
flat angles C4'-P-C4' energy: -151.742
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -223.711
Dist. restrs. and SS energy: 6.176 (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: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2374.273622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.273622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.070659 (E_RNA)
where:
Base-Base interactions energy: -1688.415
where: short stacking energy: -695.074
Base-Backbone interact. energy: -1.046
local terms energy: -690.609997
where:
bonds (distance) C4'-P energy: -108.703
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -150.262
flat angles P-C4'-P energy: -93.416
tors. eta vs tors. theta energy: -221.309
Dist. restrs. and SS energy: 5.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2161.459685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.459685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.541662 (E_RNA)
where:
Base-Base interactions energy: -1565.576
where: short stacking energy: -636.710
Base-Backbone interact. energy: -1.893
local terms energy: -606.072152
where:
bonds (distance) C4'-P energy: -94.388
bonds (distance) P-C4' energy: -103.475
flat angles C4'-P-C4' energy: -132.576
flat angles P-C4'-P energy: -87.012
tors. eta vs tors. theta energy: -188.621
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: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -2122.997967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.997967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.656673 (E_RNA)
where:
Base-Base interactions energy: -1474.274
where: short stacking energy: -587.272
Base-Backbone interact. energy: -1.413
local terms energy: -670.969408
where:
bonds (distance) C4'-P energy: -111.680
bonds (distance) P-C4' energy: -128.856
flat angles C4'-P-C4' energy: -140.011
flat angles P-C4'-P energy: -95.989
tors. eta vs tors. theta energy: -194.433
Dist. restrs. and SS energy: 23.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1965.684327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.684327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.044078 (E_RNA)
where:
Base-Base interactions energy: -1392.053
where: short stacking energy: -557.512
Base-Backbone interact. energy: -1.210
local terms energy: -585.780949
where:
bonds (distance) C4'-P energy: -97.493
bonds (distance) P-C4' energy: -128.694
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -170.954
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: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2745.909043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.909043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.153299 (E_RNA)
where:
Base-Base interactions energy: -1924.469
where: short stacking energy: -789.725
Base-Backbone interact. energy: -1.881
local terms energy: -827.803152
where:
bonds (distance) C4'-P energy: -151.278
bonds (distance) P-C4' energy: -143.104
flat angles C4'-P-C4' energy: -172.151
flat angles P-C4'-P energy: -117.158
tors. eta vs tors. theta energy: -244.113
Dist. restrs. and SS energy: 8.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2718.204922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.204922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.007753 (E_RNA)
where:
Base-Base interactions energy: -1908.494
where: short stacking energy: -795.660
Base-Backbone interact. energy: -0.628
local terms energy: -816.886252
where:
bonds (distance) C4'-P energy: -141.168
bonds (distance) P-C4' energy: -136.068
flat angles C4'-P-C4' energy: -177.402
flat angles P-C4'-P energy: -123.784
tors. eta vs tors. theta energy: -238.464
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: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2640.543001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.543001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.575113 (E_RNA)
where:
Base-Base interactions energy: -1884.376
where: short stacking energy: -774.679
Base-Backbone interact. energy: -3.062
local terms energy: -760.136933
where:
bonds (distance) C4'-P energy: -129.371
bonds (distance) P-C4' energy: -128.897
flat angles C4'-P-C4' energy: -156.584
flat angles P-C4'-P energy: -102.125
tors. eta vs tors. theta energy: -243.160
Dist. restrs. and SS energy: 7.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2587.098330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.098330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.268633 (E_RNA)
where:
Base-Base interactions energy: -1862.835
where: short stacking energy: -748.985
Base-Backbone interact. energy: -1.536
local terms energy: -730.897037
where:
bonds (distance) C4'-P energy: -131.313
bonds (distance) P-C4' energy: -124.456
flat angles C4'-P-C4' energy: -143.826
flat angles P-C4'-P energy: -101.510
tors. eta vs tors. theta energy: -229.793
Dist. restrs. and SS energy: 8.170 (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: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2512.406136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.406136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.395607 (E_RNA)
where:
Base-Base interactions energy: -1792.312
where: short stacking energy: -726.746
Base-Backbone interact. energy: -3.355
local terms energy: -725.728675
where:
bonds (distance) C4'-P energy: -117.505
bonds (distance) P-C4' energy: -124.225
flat angles C4'-P-C4' energy: -162.933
flat angles P-C4'-P energy: -99.511
tors. eta vs tors. theta energy: -221.556
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: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2398.716142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.716142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.742438 (E_RNA)
where:
Base-Base interactions energy: -1705.077
where: short stacking energy: -695.687
Base-Backbone interact. energy: -0.467
local terms energy: -700.198245
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -139.932
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -82.095
tors. eta vs tors. theta energy: -222.156
Dist. restrs. and SS energy: 7.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2326.468067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.468067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.217319 (E_RNA)
where:
Base-Base interactions energy: -1641.703
where: short stacking energy: -675.545
Base-Backbone interact. energy: 1.372
local terms energy: -698.885887
where:
bonds (distance) C4'-P energy: -118.899
bonds (distance) P-C4' energy: -123.732
flat angles C4'-P-C4' energy: -148.790
flat angles P-C4'-P energy: -93.689
tors. eta vs tors. theta energy: -213.777
Dist. restrs. and SS energy: 12.749 (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: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2184.366601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.366601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.878669 (E_RNA)
where:
Base-Base interactions energy: -1548.978
where: short stacking energy: -624.271
Base-Backbone interact. energy: 2.004
local terms energy: -651.905432
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -148.024
flat angles P-C4'-P energy: -96.327
tors. eta vs tors. theta energy: -193.481
Dist. restrs. and SS energy: 14.512 (S_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: 318
Temperature: 1.300000
Total energy: -2113.327685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.327685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.731785 (E_RNA)
where:
Base-Base interactions energy: -1517.413
where: short stacking energy: -606.055
Base-Backbone interact. energy: -0.706
local terms energy: -611.612421
where:
bonds (distance) C4'-P energy: -115.968
bonds (distance) P-C4' energy: -102.185
flat angles C4'-P-C4' energy: -130.328
flat angles P-C4'-P energy: -70.875
tors. eta vs tors. theta energy: -192.256
Dist. restrs. and SS energy: 16.404 (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: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -2011.039661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.039661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.275544 (E_RNA)
where:
Base-Base interactions energy: -1444.778
where: short stacking energy: -573.568
Base-Backbone interact. energy: -1.567
local terms energy: -578.929654
where:
bonds (distance) C4'-P energy: -94.399
bonds (distance) P-C4' energy: -110.553
flat angles C4'-P-C4' energy: -113.103
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -183.696
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: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2742.551858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.551858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.070498 (E_RNA)
where:
Base-Base interactions energy: -1936.253
where: short stacking energy: -787.976
Base-Backbone interact. energy: 0.843
local terms energy: -815.661266
where:
bonds (distance) C4'-P energy: -135.618
bonds (distance) P-C4' energy: -142.919
flat angles C4'-P-C4' energy: -165.310
flat angles P-C4'-P energy: -120.155
tors. eta vs tors. theta energy: -251.660
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: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2706.779314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.779314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.581063 (E_RNA)
where:
Base-Base interactions energy: -1904.634
where: short stacking energy: -777.477
Base-Backbone interact. energy: -0.531
local terms energy: -809.416523
where:
bonds (distance) C4'-P energy: -136.627
bonds (distance) P-C4' energy: -141.801
flat angles C4'-P-C4' energy: -172.094
flat angles P-C4'-P energy: -114.579
tors. eta vs tors. theta energy: -244.316
Dist. restrs. and SS energy: 7.802 (S_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: 319
Temperature: 1.000000
Total energy: -2647.523978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.523978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.231489 (E_RNA)
where:
Base-Base interactions energy: -1848.327
where: short stacking energy: -773.550
Base-Backbone interact. energy: -2.177
local terms energy: -802.728253
where:
bonds (distance) C4'-P energy: -144.797
bonds (distance) P-C4' energy: -137.916
flat angles C4'-P-C4' energy: -158.821
flat angles P-C4'-P energy: -120.221
tors. eta vs tors. theta energy: -240.973
Dist. restrs. and SS energy: 5.708 (S_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: 319
Temperature: 1.050000
Total energy: -2583.522697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.522697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.204055 (E_RNA)
where:
Base-Base interactions energy: -1846.640
where: short stacking energy: -743.797
Base-Backbone interact. energy: -0.102
local terms energy: -744.462664
where:
bonds (distance) C4'-P energy: -124.090
bonds (distance) P-C4' energy: -132.725
flat angles C4'-P-C4' energy: -151.225
flat angles P-C4'-P energy: -104.639
tors. eta vs tors. theta energy: -231.782
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: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2487.213653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.213653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.827267 (E_RNA)
where:
Base-Base interactions energy: -1775.769
where: short stacking energy: -721.195
Base-Backbone interact. energy: 3.146
local terms energy: -723.204202
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -129.773
flat angles C4'-P-C4' energy: -159.821
flat angles P-C4'-P energy: -106.067
tors. eta vs tors. theta energy: -213.835
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: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2407.881183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.881183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.835661 (E_RNA)
where:
Base-Base interactions energy: -1740.059
where: short stacking energy: -696.972
Base-Backbone interact. energy: -5.883
local terms energy: -672.893149
where:
bonds (distance) C4'-P energy: -114.266
bonds (distance) P-C4' energy: -104.560
flat angles C4'-P-C4' energy: -154.621
flat angles P-C4'-P energy: -86.573
tors. eta vs tors. theta energy: -212.873
Dist. restrs. and SS energy: 10.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2333.674334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.674334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.153778 (E_RNA)
where:
Base-Base interactions energy: -1652.155
where: short stacking energy: -673.043
Base-Backbone interact. energy: -2.102
local terms energy: -685.897511
where:
bonds (distance) C4'-P energy: -102.585
bonds (distance) P-C4' energy: -132.057
flat angles C4'-P-C4' energy: -142.201
flat angles P-C4'-P energy: -96.553
tors. eta vs tors. theta energy: -212.502
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: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2201.079746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.079746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.302940 (E_RNA)
where:
Base-Base interactions energy: -1574.148
where: short stacking energy: -639.537
Base-Backbone interact. energy: -2.290
local terms energy: -636.864977
where:
bonds (distance) C4'-P energy: -93.829
bonds (distance) P-C4' energy: -119.655
flat angles C4'-P-C4' energy: -127.631
flat angles P-C4'-P energy: -100.930
tors. eta vs tors. theta energy: -194.820
Dist. restrs. and SS energy: 12.223 (S_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: 319
Temperature: 1.300000
Total energy: -2062.517153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.517153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.738816 (E_RNA)
where:
Base-Base interactions energy: -1432.239
where: short stacking energy: -559.821
Base-Backbone interact. energy: -1.903
local terms energy: -643.597483
where:
bonds (distance) C4'-P energy: -112.561
bonds (distance) P-C4' energy: -139.118
flat angles C4'-P-C4' energy: -126.455
flat angles P-C4'-P energy: -85.261
tors. eta vs tors. theta energy: -180.203
Dist. restrs. and SS energy: 15.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1939.669648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.669648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.879928 (E_RNA)
where:
Base-Base interactions energy: -1409.440
where: short stacking energy: -561.476
Base-Backbone interact. energy: -1.314
local terms energy: -551.125670
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -99.480
flat angles C4'-P-C4' energy: -127.923
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -162.012
Dist. restrs. and SS energy: 22.210 (S_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: 320
Temperature: 0.900000
Total energy: -2741.381122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.381122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.917048 (E_RNA)
where:
Base-Base interactions energy: -1940.517
where: short stacking energy: -800.925
Base-Backbone interact. energy: -0.860
local terms energy: -810.539441
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -140.054
flat angles C4'-P-C4' energy: -166.228
flat angles P-C4'-P energy: -115.663
tors. eta vs tors. theta energy: -247.982
Dist. restrs. and SS energy: 10.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2712.898600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.898600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.798238 (E_RNA)
where:
Base-Base interactions energy: -1913.023
where: short stacking energy: -774.423
Base-Backbone interact. energy: -2.221
local terms energy: -806.554222
where:
bonds (distance) C4'-P energy: -136.722
bonds (distance) P-C4' energy: -129.674
flat angles C4'-P-C4' energy: -170.978
flat angles P-C4'-P energy: -123.885
tors. eta vs tors. theta energy: -245.295
Dist. restrs. and SS energy: 8.900 (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: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2652.724119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.724119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.932044 (E_RNA)
where:
Base-Base interactions energy: -1913.763
where: short stacking energy: -778.958
Base-Backbone interact. energy: -0.285
local terms energy: -744.884611
where:
bonds (distance) C4'-P energy: -132.726
bonds (distance) P-C4' energy: -114.787
flat angles C4'-P-C4' energy: -156.638
flat angles P-C4'-P energy: -111.610
tors. eta vs tors. theta energy: -229.124
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: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2567.801214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.801214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.109760 (E_RNA)
where:
Base-Base interactions energy: -1842.010
where: short stacking energy: -736.005
Base-Backbone interact. energy: -4.070
local terms energy: -729.029370
where:
bonds (distance) C4'-P energy: -128.028
bonds (distance) P-C4' energy: -119.101
flat angles C4'-P-C4' energy: -156.155
flat angles P-C4'-P energy: -99.275
tors. eta vs tors. theta energy: -226.470
Dist. restrs. and SS energy: 7.309 (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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2465.951008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.951008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.019414 (E_RNA)
where:
Base-Base interactions energy: -1779.014
where: short stacking energy: -719.530
Base-Backbone interact. energy: -3.237
local terms energy: -691.768497
where:
bonds (distance) C4'-P energy: -111.865
bonds (distance) P-C4' energy: -104.365
flat angles C4'-P-C4' energy: -157.916
flat angles P-C4'-P energy: -99.699
tors. eta vs tors. theta energy: -217.924
Dist. restrs. and SS energy: 8.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2398.839814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.839814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.456357 (E_RNA)
where:
Base-Base interactions energy: -1696.024
where: short stacking energy: -685.272
Base-Backbone interact. energy: -1.363
local terms energy: -708.069109
where:
bonds (distance) C4'-P energy: -128.744
bonds (distance) P-C4' energy: -113.442
flat angles C4'-P-C4' energy: -159.667
flat angles P-C4'-P energy: -88.907
tors. eta vs tors. theta energy: -217.309
Dist. restrs. and SS energy: 6.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2337.530152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.530152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.102220 (E_RNA)
where:
Base-Base interactions energy: -1664.289
where: short stacking energy: -651.719
Base-Backbone interact. energy: -1.626
local terms energy: -678.186997
where:
bonds (distance) C4'-P energy: -100.136
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -137.695
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -208.454
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: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2174.652644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.652644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.055423 (E_RNA)
where:
Base-Base interactions energy: -1574.605
where: short stacking energy: -609.433
Base-Backbone interact. energy: 0.320
local terms energy: -612.769776
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -96.920
flat angles C4'-P-C4' energy: -151.091
flat angles P-C4'-P energy: -98.442
tors. eta vs tors. theta energy: -179.666
Dist. restrs. and SS energy: 12.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -2057.099631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.099631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.823227 (E_RNA)
where:
Base-Base interactions energy: -1471.956
where: short stacking energy: -596.826
Base-Backbone interact. energy: -0.485
local terms energy: -604.382531
where:
bonds (distance) C4'-P energy: -121.266
bonds (distance) P-C4' energy: -114.000
flat angles C4'-P-C4' energy: -117.131
flat angles P-C4'-P energy: -68.116
tors. eta vs tors. theta energy: -183.870
Dist. restrs. and SS energy: 19.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1969.467841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.467841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.945025 (E_RNA)
where:
Base-Base interactions energy: -1380.371
where: short stacking energy: -565.058
Base-Backbone interact. energy: 0.685
local terms energy: -605.258636
where:
bonds (distance) C4'-P energy: -106.601
bonds (distance) P-C4' energy: -121.701
flat angles C4'-P-C4' energy: -130.409
flat angles P-C4'-P energy: -78.520
tors. eta vs tors. theta energy: -168.028
Dist. restrs. and SS energy: 15.477 (S_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: 321
Temperature: 0.900000
Total energy: -2739.146302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.146302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.777163 (E_RNA)
where:
Base-Base interactions energy: -1949.426
where: short stacking energy: -797.697
Base-Backbone interact. energy: -2.076
local terms energy: -795.275145
where:
bonds (distance) C4'-P energy: -153.463
bonds (distance) P-C4' energy: -130.848
flat angles C4'-P-C4' energy: -140.295
flat angles P-C4'-P energy: -129.963
tors. eta vs tors. theta energy: -240.706
Dist. restrs. and SS energy: 7.631 (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: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2685.223123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.223123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.378749 (E_RNA)
where:
Base-Base interactions energy: -1893.792
where: short stacking energy: -771.146
Base-Backbone interact. energy: -1.578
local terms energy: -797.008655
where:
bonds (distance) C4'-P energy: -128.066
bonds (distance) P-C4' energy: -138.209
flat angles C4'-P-C4' energy: -162.956
flat angles P-C4'-P energy: -123.154
tors. eta vs tors. theta energy: -244.624
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: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2629.460016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.460016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.052421 (E_RNA)
where:
Base-Base interactions energy: -1849.398
where: short stacking energy: -770.202
Base-Backbone interact. energy: -0.820
local terms energy: -782.834065
where:
bonds (distance) C4'-P energy: -124.691
bonds (distance) P-C4' energy: -120.005
flat angles C4'-P-C4' energy: -164.352
flat angles P-C4'-P energy: -121.591
tors. eta vs tors. theta energy: -252.194
Dist. restrs. and SS energy: 3.592 (S_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: 321
Temperature: 1.050000
Total energy: -2557.623557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.623557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.700108 (E_RNA)
where:
Base-Base interactions energy: -1823.532
where: short stacking energy: -726.295
Base-Backbone interact. energy: -0.747
local terms energy: -742.420787
where:
bonds (distance) C4'-P energy: -123.695
bonds (distance) P-C4' energy: -146.132
flat angles C4'-P-C4' energy: -153.888
flat angles P-C4'-P energy: -83.735
tors. eta vs tors. theta energy: -234.970
Dist. restrs. and SS energy: 9.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2511.225622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.225622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.794613 (E_RNA)
where:
Base-Base interactions energy: -1777.968
where: short stacking energy: -706.871
Base-Backbone interact. energy: -2.681
local terms energy: -743.146427
where:
bonds (distance) C4'-P energy: -141.087
bonds (distance) P-C4' energy: -124.490
flat angles C4'-P-C4' energy: -157.646
flat angles P-C4'-P energy: -96.854
tors. eta vs tors. theta energy: -223.068
Dist. restrs. and SS energy: 12.569 (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: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2406.870731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.870731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.023857 (E_RNA)
where:
Base-Base interactions energy: -1727.337
where: short stacking energy: -684.592
Base-Backbone interact. energy: -3.398
local terms energy: -682.288128
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -126.596
flat angles C4'-P-C4' energy: -152.881
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -213.946
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: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2318.259548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.259548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.844808 (E_RNA)
where:
Base-Base interactions energy: -1642.547
where: short stacking energy: -664.036
Base-Backbone interact. energy: -0.593
local terms energy: -680.704873
where:
bonds (distance) C4'-P energy: -103.398
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -137.578
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -217.930
Dist. restrs. and SS energy: 5.585 (S_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: 321
Temperature: 1.250000
Total energy: -2154.741323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.741323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.933742 (E_RNA)
where:
Base-Base interactions energy: -1566.353
where: short stacking energy: -623.596
Base-Backbone interact. energy: -3.681
local terms energy: -601.899583
where:
bonds (distance) C4'-P energy: -102.632
bonds (distance) P-C4' energy: -79.170
flat angles C4'-P-C4' energy: -141.522
flat angles P-C4'-P energy: -90.615
tors. eta vs tors. theta energy: -187.961
Dist. restrs. and SS energy: 17.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -2024.348698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.348698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.049534 (E_RNA)
where:
Base-Base interactions energy: -1457.213
where: short stacking energy: -588.978
Base-Backbone interact. energy: -2.309
local terms energy: -589.527435
where:
bonds (distance) C4'-P energy: -105.925
bonds (distance) P-C4' energy: -119.174
flat angles C4'-P-C4' energy: -112.074
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -177.188
Dist. restrs. and SS energy: 24.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1972.482919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.482919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.278092 (E_RNA)
where:
Base-Base interactions energy: -1409.105
where: short stacking energy: -552.807
Base-Backbone interact. energy: 1.660
local terms energy: -593.833742
where:
bonds (distance) C4'-P energy: -105.459
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -135.561
flat angles P-C4'-P energy: -74.585
tors. eta vs tors. theta energy: -162.174
Dist. restrs. and SS energy: 28.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2749.086777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.086777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.823680 (E_RNA)
where:
Base-Base interactions energy: -1952.730
where: short stacking energy: -796.119
Base-Backbone interact. energy: -2.610
local terms energy: -802.483616
where:
bonds (distance) C4'-P energy: -126.013
bonds (distance) P-C4' energy: -137.473
flat angles C4'-P-C4' energy: -175.021
flat angles P-C4'-P energy: -114.109
tors. eta vs tors. theta energy: -249.868
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: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2679.895684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.895684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.645427 (E_RNA)
where:
Base-Base interactions energy: -1913.316
where: short stacking energy: -761.751
Base-Backbone interact. energy: -3.509
local terms energy: -769.820302
where:
bonds (distance) C4'-P energy: -131.399
bonds (distance) P-C4' energy: -138.023
flat angles C4'-P-C4' energy: -161.503
flat angles P-C4'-P energy: -108.573
tors. eta vs tors. theta energy: -230.321
Dist. restrs. and SS energy: 6.750 (S_DIST_RNA)
chem. 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: -2642.385997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.385997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.347559 (E_RNA)
where:
Base-Base interactions energy: -1889.882
where: short stacking energy: -783.944
Base-Backbone interact. energy: -1.195
local terms energy: -755.270433
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -137.817
flat angles C4'-P-C4' energy: -159.825
flat angles P-C4'-P energy: -111.175
tors. eta vs tors. theta energy: -236.829
Dist. restrs. and SS energy: 3.962 (S_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: 322
Temperature: 1.050000
Total energy: -2588.196151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.196151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.702716 (E_RNA)
where:
Base-Base interactions energy: -1859.887
where: short stacking energy: -769.180
Base-Backbone interact. energy: 0.097
local terms energy: -739.912852
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -115.662
flat angles C4'-P-C4' energy: -168.246
flat angles P-C4'-P energy: -109.379
tors. eta vs tors. theta energy: -231.010
Dist. restrs. and SS energy: 11.507 (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: 322
Temperature: 1.100000
Total energy: -2515.707037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.707037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.857740 (E_RNA)
where:
Base-Base interactions energy: -1816.807
where: short stacking energy: -716.923
Base-Backbone interact. energy: -2.355
local terms energy: -704.695130
where:
bonds (distance) C4'-P energy: -134.790
bonds (distance) P-C4' energy: -120.792
flat angles C4'-P-C4' energy: -144.938
flat angles P-C4'-P energy: -89.576
tors. eta vs tors. theta energy: -214.599
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2435.630319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.630319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.936556 (E_RNA)
where:
Base-Base interactions energy: -1712.342
where: short stacking energy: -695.706
Base-Backbone interact. energy: -0.702
local terms energy: -729.893113
where:
bonds (distance) C4'-P energy: -139.544
bonds (distance) P-C4' energy: -120.147
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -101.210
tors. eta vs tors. theta energy: -218.250
Dist. restrs. and SS energy: 7.306 (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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2330.389454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.812697 (E_RNA)
where:
Base-Base interactions energy: -1677.841
where: short stacking energy: -689.803
Base-Backbone interact. energy: 2.654
local terms energy: -661.625118
where:
bonds (distance) C4'-P energy: -111.300
bonds (distance) P-C4' energy: -111.322
flat angles C4'-P-C4' energy: -140.491
flat angles P-C4'-P energy: -81.798
tors. eta vs tors. theta energy: -216.715
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: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2138.396008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.396008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.256994 (E_RNA)
where:
Base-Base interactions energy: -1522.574
where: short stacking energy: -587.212
Base-Backbone interact. energy: -1.591
local terms energy: -632.091685
where:
bonds (distance) C4'-P energy: -110.401
bonds (distance) P-C4' energy: -108.684
flat angles C4'-P-C4' energy: -139.807
flat angles P-C4'-P energy: -90.691
tors. eta vs tors. theta energy: -182.508
Dist. restrs. and SS energy: 17.861 (S_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: 322
Temperature: 1.300000
Total energy: -2089.053005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.053005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.469830 (E_RNA)
where:
Base-Base interactions energy: -1486.248
where: short stacking energy: -604.292
Base-Backbone interact. energy: 2.155
local terms energy: -627.376659
where:
bonds (distance) C4'-P energy: -130.705
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -121.604
flat angles P-C4'-P energy: -88.430
tors. eta vs tors. theta energy: -187.929
Dist. restrs. and SS energy: 22.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -2012.739957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.739957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.867394 (E_RNA)
where:
Base-Base interactions energy: -1449.120
where: short stacking energy: -570.327
Base-Backbone interact. energy: -0.242
local terms energy: -577.505872
where:
bonds (distance) C4'-P energy: -86.693
bonds (distance) P-C4' energy: -97.372
flat angles C4'-P-C4' energy: -134.221
flat angles P-C4'-P energy: -89.151
tors. eta vs tors. theta energy: -170.069
Dist. restrs. and SS energy: 14.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2749.932187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.932187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.974432 (E_RNA)
where:
Base-Base interactions energy: -1959.688
where: short stacking energy: -798.776
Base-Backbone interact. energy: -3.947
local terms energy: -792.339404
where:
bonds (distance) C4'-P energy: -134.570
bonds (distance) P-C4' energy: -138.518
flat angles C4'-P-C4' energy: -156.777
flat angles P-C4'-P energy: -118.939
tors. eta vs tors. theta energy: -243.535
Dist. restrs. and SS energy: 6.042 (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: 323
Temperature: 0.950000
Total energy: -2658.958813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.958813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.299317 (E_RNA)
where:
Base-Base interactions energy: -1888.407
where: short stacking energy: -765.879
Base-Backbone interact. energy: -0.804
local terms energy: -776.088214
where:
bonds (distance) C4'-P energy: -140.567
bonds (distance) P-C4' energy: -137.634
flat angles C4'-P-C4' energy: -156.561
flat angles P-C4'-P energy: -108.340
tors. eta vs tors. theta energy: -232.986
Dist. restrs. and SS energy: 6.341 (S_DIST_RNA)
chem. 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: -2635.553342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.546953 (E_RNA)
where:
Base-Base interactions energy: -1864.033
where: short stacking energy: -739.162
Base-Backbone interact. energy: -2.818
local terms energy: -771.695580
where:
bonds (distance) C4'-P energy: -125.847
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -167.151
flat angles P-C4'-P energy: -106.372
tors. eta vs tors. theta energy: -227.411
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: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2579.655273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.655273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.991904 (E_RNA)
where:
Base-Base interactions energy: -1852.841
where: short stacking energy: -755.721
Base-Backbone interact. energy: -1.837
local terms energy: -736.313355
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -135.959
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -98.334
tors. eta vs tors. theta energy: -235.920
Dist. restrs. and SS energy: 11.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2485.016527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.016527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.822863 (E_RNA)
where:
Base-Base interactions energy: -1768.469
where: short stacking energy: -691.347
Base-Backbone interact. energy: -2.471
local terms energy: -720.883143
where:
bonds (distance) C4'-P energy: -121.274
bonds (distance) P-C4' energy: -131.650
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -102.650
tors. eta vs tors. theta energy: -213.730
Dist. restrs. and SS energy: 6.806 (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: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2425.673786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.673786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.194716 (E_RNA)
where:
Base-Base interactions energy: -1694.162
where: short stacking energy: -693.173
Base-Backbone interact. energy: -0.364
local terms energy: -735.668386
where:
bonds (distance) C4'-P energy: -120.041
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -160.636
flat angles P-C4'-P energy: -106.731
tors. eta vs tors. theta energy: -215.896
Dist. restrs. and SS energy: 4.521 (S_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: 323
Temperature: 1.200000
Total energy: -2306.840222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.840222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.897465 (E_RNA)
where:
Base-Base interactions energy: -1630.504
where: short stacking energy: -650.576
Base-Backbone interact. energy: 1.528
local terms energy: -687.922067
where:
bonds (distance) C4'-P energy: -114.205
bonds (distance) P-C4' energy: -119.236
flat angles C4'-P-C4' energy: -145.265
flat angles P-C4'-P energy: -100.005
tors. eta vs tors. theta energy: -209.210
Dist. restrs. and SS energy: 10.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2168.764871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.764871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.625600 (E_RNA)
where:
Base-Base interactions energy: -1521.109
where: short stacking energy: -571.477
Base-Backbone interact. energy: -3.521
local terms energy: -662.995808
where:
bonds (distance) C4'-P energy: -130.988
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -139.638
flat angles P-C4'-P energy: -89.669
tors. eta vs tors. theta energy: -188.424
Dist. restrs. and SS energy: 18.861 (S_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: -2093.457909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.457909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.534068 (E_RNA)
where:
Base-Base interactions energy: -1492.633
where: short stacking energy: -600.793
Base-Backbone interact. energy: -0.951
local terms energy: -613.949393
where:
bonds (distance) C4'-P energy: -108.904
bonds (distance) P-C4' energy: -123.016
flat angles C4'-P-C4' energy: -130.196
flat angles P-C4'-P energy: -77.298
tors. eta vs tors. theta energy: -174.535
Dist. restrs. and SS energy: 14.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1990.520996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.520996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.308705 (E_RNA)
where:
Base-Base interactions energy: -1407.797
where: short stacking energy: -557.307
Base-Backbone interact. energy: 1.378
local terms energy: -598.889363
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -119.951
flat angles C4'-P-C4' energy: -134.658
flat angles P-C4'-P energy: -69.821
tors. eta vs tors. theta energy: -179.967
Dist. restrs. and SS energy: 14.788 (S_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: 324
Temperature: 0.900000
Total energy: -2771.238118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.461664 (E_RNA)
where:
Base-Base interactions energy: -1968.586
where: short stacking energy: -803.078
Base-Backbone interact. energy: -2.692
local terms energy: -808.183151
where:
bonds (distance) C4'-P energy: -125.269
bonds (distance) P-C4' energy: -146.346
flat angles C4'-P-C4' energy: -173.821
flat angles P-C4'-P energy: -114.870
tors. eta vs tors. theta energy: -247.878
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: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2679.925621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.925621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.258453 (E_RNA)
where:
Base-Base interactions energy: -1926.858
where: short stacking energy: -780.195
Base-Backbone interact. energy: 2.113
local terms energy: -760.513198
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -122.870
flat angles C4'-P-C4' energy: -154.180
flat angles P-C4'-P energy: -125.244
tors. eta vs tors. theta energy: -242.446
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: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2642.903083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.903083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.680380 (E_RNA)
where:
Base-Base interactions energy: -1861.288
where: short stacking energy: -768.015
Base-Backbone interact. energy: -0.655
local terms energy: -783.737343
where:
bonds (distance) C4'-P energy: -122.802
bonds (distance) P-C4' energy: -143.890
flat angles C4'-P-C4' energy: -171.486
flat angles P-C4'-P energy: -108.898
tors. eta vs tors. theta energy: -236.662
Dist. restrs. and SS energy: 2.777 (S_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: 324
Temperature: 1.050000
Total energy: -2574.689096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.689096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.630722 (E_RNA)
where:
Base-Base interactions energy: -1825.586
where: short stacking energy: -715.996
Base-Backbone interact. energy: 1.893
local terms energy: -758.936859
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -153.597
flat angles C4'-P-C4' energy: -160.293
flat angles P-C4'-P energy: -85.916
tors. eta vs tors. theta energy: -237.937
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: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2499.923169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.923169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.404258 (E_RNA)
where:
Base-Base interactions energy: -1764.487
where: short stacking energy: -700.044
Base-Backbone interact. energy: -2.296
local terms energy: -739.621256
where:
bonds (distance) C4'-P energy: -128.550
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -169.957
flat angles P-C4'-P energy: -107.567
tors. eta vs tors. theta energy: -213.177
Dist. restrs. and SS energy: 6.481 (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: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2405.296837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.296837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.348076 (E_RNA)
where:
Base-Base interactions energy: -1701.913
where: short stacking energy: -690.270
Base-Backbone interact. energy: 0.688
local terms energy: -719.124003
where:
bonds (distance) C4'-P energy: -132.650
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -150.036
flat angles P-C4'-P energy: -109.862
tors. eta vs tors. theta energy: -210.008
Dist. restrs. and SS energy: 15.051 (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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2315.744842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.744842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.918289 (E_RNA)
where:
Base-Base interactions energy: -1642.166
where: short stacking energy: -642.664
Base-Backbone interact. energy: -1.425
local terms energy: -684.326937
where:
bonds (distance) C4'-P energy: -116.866
bonds (distance) P-C4' energy: -117.701
flat angles C4'-P-C4' energy: -143.914
flat angles P-C4'-P energy: -92.736
tors. eta vs tors. theta energy: -213.110
Dist. restrs. and SS energy: 12.173 (S_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: 324
Temperature: 1.250000
Total energy: -2172.376942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.376942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.194267 (E_RNA)
where:
Base-Base interactions energy: -1545.511
where: short stacking energy: -613.719
Base-Backbone interact. energy: -1.961
local terms energy: -646.722301
where:
bonds (distance) C4'-P energy: -114.463
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -144.640
flat angles P-C4'-P energy: -82.724
tors. eta vs tors. theta energy: -191.416
Dist. restrs. and SS energy: 21.817 (S_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: 324
Temperature: 1.300000
Total energy: -2091.887381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.887381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.948120 (E_RNA)
where:
Base-Base interactions energy: -1491.814
where: short stacking energy: -582.001
Base-Backbone interact. energy: -3.068
local terms energy: -614.065866
where:
bonds (distance) C4'-P energy: -107.635
bonds (distance) P-C4' energy: -110.608
flat angles C4'-P-C4' energy: -129.415
flat angles P-C4'-P energy: -93.190
tors. eta vs tors. theta energy: -173.219
Dist. restrs. and SS energy: 17.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1952.552478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.862353 (E_RNA)
where:
Base-Base interactions energy: -1390.775
where: short stacking energy: -551.866
Base-Backbone interact. energy: -0.754
local terms energy: -585.333465
where:
bonds (distance) C4'-P energy: -98.101
bonds (distance) P-C4' energy: -125.095
flat angles C4'-P-C4' energy: -127.709
flat angles P-C4'-P energy: -63.167
tors. eta vs tors. theta energy: -171.261
Dist. restrs. and SS energy: 24.310 (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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2770.086900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.086900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.148793 (E_RNA)
where:
Base-Base interactions energy: -1943.037
where: short stacking energy: -787.363
Base-Backbone interact. energy: -2.535
local terms energy: -830.576678
where:
bonds (distance) C4'-P energy: -144.936
bonds (distance) P-C4' energy: -152.484
flat angles C4'-P-C4' energy: -174.062
flat angles P-C4'-P energy: -118.987
tors. eta vs tors. theta energy: -240.107
Dist. restrs. and SS energy: 6.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2706.964958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.964958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.246351 (E_RNA)
where:
Base-Base interactions energy: -1890.405
where: short stacking energy: -772.909
Base-Backbone interact. energy: -0.198
local terms energy: -821.643516
where:
bonds (distance) C4'-P energy: -145.139
bonds (distance) P-C4' energy: -147.664
flat angles C4'-P-C4' energy: -168.853
flat angles P-C4'-P energy: -119.078
tors. eta vs tors. theta energy: -240.910
Dist. restrs. and SS energy: 5.281 (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: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2594.284807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.284807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.203349 (E_RNA)
where:
Base-Base interactions energy: -1840.257
where: short stacking energy: -759.951
Base-Backbone interact. energy: -1.404
local terms energy: -756.542941
where:
bonds (distance) C4'-P energy: -128.774
bonds (distance) P-C4' energy: -141.112
flat angles C4'-P-C4' energy: -162.408
flat angles P-C4'-P energy: -93.884
tors. eta vs tors. theta energy: -230.364
Dist. restrs. and SS energy: 3.919 (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: 325
Temperature: 1.050000
Total energy: -2563.051119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.051119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.516707 (E_RNA)
where:
Base-Base interactions energy: -1828.244
where: short stacking energy: -746.104
Base-Backbone interact. energy: 3.224
local terms energy: -745.496892
where:
bonds (distance) C4'-P energy: -125.500
bonds (distance) P-C4' energy: -126.549
flat angles C4'-P-C4' energy: -154.800
flat angles P-C4'-P energy: -114.869
tors. eta vs tors. theta energy: -223.779
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: 325
Temperature: 1.100000
Total energy: -2489.569821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.569821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.118546 (E_RNA)
where:
Base-Base interactions energy: -1815.205
where: short stacking energy: -714.323
Base-Backbone interact. energy: -1.211
local terms energy: -680.702879
where:
bonds (distance) C4'-P energy: -122.793
bonds (distance) P-C4' energy: -117.125
flat angles C4'-P-C4' energy: -135.017
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -219.518
Dist. restrs. and SS energy: 7.549 (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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2387.766700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.766700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.114431 (E_RNA)
where:
Base-Base interactions energy: -1693.021
where: short stacking energy: -680.715
Base-Backbone interact. energy: 3.261
local terms energy: -705.354633
where:
bonds (distance) C4'-P energy: -119.153
bonds (distance) P-C4' energy: -131.063
flat angles C4'-P-C4' energy: -156.530
flat angles P-C4'-P energy: -105.119
tors. eta vs tors. theta energy: -193.489
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: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2332.920970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.920970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.666639 (E_RNA)
where:
Base-Base interactions energy: -1689.943
where: short stacking energy: -692.071
Base-Backbone interact. energy: -2.627
local terms energy: -651.096463
where:
bonds (distance) C4'-P energy: -81.882
bonds (distance) P-C4' energy: -115.201
flat angles C4'-P-C4' energy: -146.261
flat angles P-C4'-P energy: -96.266
tors. eta vs tors. theta energy: -211.485
Dist. restrs. and SS energy: 10.746 (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: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2100.488781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.488781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.573465 (E_RNA)
where:
Base-Base interactions energy: -1522.756
where: short stacking energy: -601.751
Base-Backbone interact. energy: 0.570
local terms energy: -601.387980
where:
bonds (distance) C4'-P energy: -79.026
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -147.653
flat angles P-C4'-P energy: -93.459
tors. eta vs tors. theta energy: -178.896
Dist. restrs. and SS energy: 23.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -2100.252604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.252604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.474436 (E_RNA)
where:
Base-Base interactions energy: -1522.348
where: short stacking energy: -611.001
Base-Backbone interact. energy: 1.546
local terms energy: -592.672653
where:
bonds (distance) C4'-P energy: -108.530
bonds (distance) P-C4' energy: -99.413
flat angles C4'-P-C4' energy: -123.381
flat angles P-C4'-P energy: -91.292
tors. eta vs tors. theta energy: -170.057
Dist. restrs. and SS energy: 13.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1952.878705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.878705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.173788 (E_RNA)
where:
Base-Base interactions energy: -1402.868
where: short stacking energy: -547.443
Base-Backbone interact. energy: 0.121
local terms energy: -571.425985
where:
bonds (distance) C4'-P energy: -119.846
bonds (distance) P-C4' energy: -101.765
flat angles C4'-P-C4' energy: -111.384
flat angles P-C4'-P energy: -68.681
tors. eta vs tors. theta energy: -169.750
Dist. restrs. and SS energy: 21.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2784.026423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.026423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.606854 (E_RNA)
where:
Base-Base interactions energy: -1965.482
where: short stacking energy: -803.122
Base-Backbone interact. energy: -2.053
local terms energy: -824.071701
where:
bonds (distance) C4'-P energy: -143.321
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -173.046
flat angles P-C4'-P energy: -123.426
tors. eta vs tors. theta energy: -244.967
Dist. restrs. and SS energy: 7.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2717.639275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.639275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.327398 (E_RNA)
where:
Base-Base interactions energy: -1916.464
where: short stacking energy: -764.111
Base-Backbone interact. energy: -1.764
local terms energy: -804.099746
where:
bonds (distance) C4'-P energy: -132.305
bonds (distance) P-C4' energy: -145.997
flat angles C4'-P-C4' energy: -172.032
flat angles P-C4'-P energy: -110.268
tors. eta vs tors. theta energy: -243.497
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: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2619.929937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.929937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.532528 (E_RNA)
where:
Base-Base interactions energy: -1858.054
where: short stacking energy: -766.680
Base-Backbone interact. energy: -2.735
local terms energy: -769.744253
where:
bonds (distance) C4'-P energy: -123.170
bonds (distance) P-C4' energy: -147.251
flat angles C4'-P-C4' energy: -150.500
flat angles P-C4'-P energy: -104.140
tors. eta vs tors. theta energy: -244.683
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2605.521282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.521282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.718701 (E_RNA)
where:
Base-Base interactions energy: -1828.589
where: short stacking energy: -760.203
Base-Backbone interact. energy: -1.547
local terms energy: -780.582347
where:
bonds (distance) C4'-P energy: -134.668
bonds (distance) P-C4' energy: -124.925
flat angles C4'-P-C4' energy: -169.106
flat angles P-C4'-P energy: -120.041
tors. eta vs tors. theta energy: -231.842
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: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2489.801547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.801547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.434927 (E_RNA)
where:
Base-Base interactions energy: -1793.699
where: short stacking energy: -716.625
Base-Backbone interact. energy: -0.660
local terms energy: -704.075724
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -119.332
flat angles C4'-P-C4' energy: -158.344
flat angles P-C4'-P energy: -90.628
tors. eta vs tors. theta energy: -208.045
Dist. restrs. and SS energy: 8.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2374.688145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.688145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.178684 (E_RNA)
where:
Base-Base interactions energy: -1714.697
where: short stacking energy: -678.930
Base-Backbone interact. energy: -3.828
local terms energy: -665.653610
where:
bonds (distance) C4'-P energy: -108.487
bonds (distance) P-C4' energy: -116.110
flat angles C4'-P-C4' energy: -145.078
flat angles P-C4'-P energy: -93.654
tors. eta vs tors. theta energy: -202.326
Dist. restrs. and SS energy: 9.491 (S_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: 326
Temperature: 1.200000
Total energy: -2310.611847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.611847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.274960 (E_RNA)
where:
Base-Base interactions energy: -1664.535
where: short stacking energy: -646.352
Base-Backbone interact. energy: 1.396
local terms energy: -653.135934
where:
bonds (distance) C4'-P energy: -94.921
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -136.488
flat angles P-C4'-P energy: -103.995
tors. eta vs tors. theta energy: -199.213
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2089.462916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.462916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.273717 (E_RNA)
where:
Base-Base interactions energy: -1496.647
where: short stacking energy: -588.116
Base-Backbone interact. energy: 1.344
local terms energy: -616.970922
where:
bonds (distance) C4'-P energy: -101.410
bonds (distance) P-C4' energy: -109.309
flat angles C4'-P-C4' energy: -144.789
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -183.085
Dist. restrs. and SS energy: 22.811 (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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -2119.459964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.459964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.450082 (E_RNA)
where:
Base-Base interactions energy: -1536.864
where: short stacking energy: -642.291
Base-Backbone interact. energy: 3.836
local terms energy: -606.422493
where:
bonds (distance) C4'-P energy: -110.077
bonds (distance) P-C4' energy: -110.637
flat angles C4'-P-C4' energy: -110.647
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -194.052
Dist. restrs. and SS energy: 19.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1991.616103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.616103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.802198 (E_RNA)
where:
Base-Base interactions energy: -1455.153
where: short stacking energy: -558.463
Base-Backbone interact. energy: -1.343
local terms energy: -555.306040
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -102.544
flat angles C4'-P-C4' energy: -129.591
flat angles P-C4'-P energy: -53.151
tors. eta vs tors. theta energy: -169.367
Dist. restrs. and SS energy: 20.186 (S_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: 327
Temperature: 0.900000
Total energy: -2736.675833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.675833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.987548 (E_RNA)
where:
Base-Base interactions energy: -1940.786
where: short stacking energy: -789.704
Base-Backbone interact. energy: -4.568
local terms energy: -797.633223
where:
bonds (distance) C4'-P energy: -134.567
bonds (distance) P-C4' energy: -136.884
flat angles C4'-P-C4' energy: -167.719
flat angles P-C4'-P energy: -117.123
tors. eta vs tors. theta energy: -241.339
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: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2710.366399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.366399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.504325 (E_RNA)
where:
Base-Base interactions energy: -1904.554
where: short stacking energy: -770.301
Base-Backbone interact. energy: -2.401
local terms energy: -808.549259
where:
bonds (distance) C4'-P energy: -148.055
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -166.237
flat angles P-C4'-P energy: -120.642
tors. eta vs tors. theta energy: -248.232
Dist. restrs. and SS energy: 5.138 (S_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: 327
Temperature: 1.000000
Total energy: -2615.050130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.050130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.574511 (E_RNA)
where:
Base-Base interactions energy: -1854.905
where: short stacking energy: -759.287
Base-Backbone interact. energy: -2.652
local terms energy: -768.016962
where:
bonds (distance) C4'-P energy: -128.051
bonds (distance) P-C4' energy: -138.398
flat angles C4'-P-C4' energy: -153.520
flat angles P-C4'-P energy: -104.181
tors. eta vs tors. theta energy: -243.867
Dist. restrs. and SS energy: 10.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2581.783969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.783969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.607952 (E_RNA)
where:
Base-Base interactions energy: -1837.253
where: short stacking energy: -751.975
Base-Backbone interact. energy: -2.863
local terms energy: -744.492010
where:
bonds (distance) C4'-P energy: -112.586
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -151.523
flat angles P-C4'-P energy: -122.580
tors. eta vs tors. theta energy: -233.643
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: 327
Temperature: 1.100000
Total energy: -2492.305819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.305819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.692058 (E_RNA)
where:
Base-Base interactions energy: -1769.628
where: short stacking energy: -722.289
Base-Backbone interact. energy: -2.143
local terms energy: -727.921579
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -133.943
flat angles C4'-P-C4' energy: -138.941
flat angles P-C4'-P energy: -111.957
tors. eta vs tors. theta energy: -219.301
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: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2424.539050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.539050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.679216 (E_RNA)
where:
Base-Base interactions energy: -1730.627
where: short stacking energy: -706.543
Base-Backbone interact. energy: -2.177
local terms energy: -697.875564
where:
bonds (distance) C4'-P energy: -126.106
bonds (distance) P-C4' energy: -103.718
flat angles C4'-P-C4' energy: -148.394
flat angles P-C4'-P energy: -94.136
tors. eta vs tors. theta energy: -225.522
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: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2351.637093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.637093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.556640 (E_RNA)
where:
Base-Base interactions energy: -1699.793
where: short stacking energy: -669.868
Base-Backbone interact. energy: -1.187
local terms energy: -660.576815
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -107.102
flat angles C4'-P-C4' energy: -138.340
flat angles P-C4'-P energy: -107.588
tors. eta vs tors. theta energy: -212.158
Dist. restrs. and SS energy: 9.920 (S_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: 327
Temperature: 1.250000
Total energy: -2187.072765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.072765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.851129 (E_RNA)
where:
Base-Base interactions energy: -1538.468
where: short stacking energy: -616.880
Base-Backbone interact. energy: -3.382
local terms energy: -668.000792
where:
bonds (distance) C4'-P energy: -134.140
bonds (distance) P-C4' energy: -123.418
flat angles C4'-P-C4' energy: -135.566
flat angles P-C4'-P energy: -93.388
tors. eta vs tors. theta energy: -181.489
Dist. restrs. and SS energy: 22.778 (S_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: 327
Temperature: 1.300000
Total energy: -2018.106218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.106218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.916952 (E_RNA)
where:
Base-Base interactions energy: -1462.034
where: short stacking energy: -560.285
Base-Backbone interact. energy: 12.125
local terms energy: -587.007889
where:
bonds (distance) C4'-P energy: -87.613
bonds (distance) P-C4' energy: -112.920
flat angles C4'-P-C4' energy: -131.963
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -178.002
Dist. restrs. and SS energy: 18.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -2006.363488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.363488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.479593 (E_RNA)
where:
Base-Base interactions energy: -1450.494
where: short stacking energy: -587.473
Base-Backbone interact. energy: 5.538
local terms energy: -577.523368
where:
bonds (distance) C4'-P energy: -102.729
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -120.426
flat angles P-C4'-P energy: -104.853
tors. eta vs tors. theta energy: -177.816
Dist. restrs. and SS energy: 16.116 (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: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2732.873222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.873222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.155433 (E_RNA)
where:
Base-Base interactions energy: -1923.247
where: short stacking energy: -787.993
Base-Backbone interact. energy: -2.786
local terms energy: -813.123048
where:
bonds (distance) C4'-P energy: -129.388
bonds (distance) P-C4' energy: -167.067
flat angles C4'-P-C4' energy: -168.816
flat angles P-C4'-P energy: -115.696
tors. eta vs tors. theta energy: -232.155
Dist. restrs. and SS energy: 6.282 (S_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: 328
Temperature: 0.950000
Total energy: -2726.439063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.439063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.539300 (E_RNA)
where:
Base-Base interactions energy: -1933.788
where: short stacking energy: -779.506
Base-Backbone interact. energy: -3.456
local terms energy: -795.295226
where:
bonds (distance) C4'-P energy: -128.579
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -177.917
flat angles P-C4'-P energy: -108.353
tors. eta vs tors. theta energy: -247.561
Dist. restrs. and SS energy: 6.100 (S_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: 328
Temperature: 1.000000
Total energy: -2613.087782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.087782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.454631 (E_RNA)
where:
Base-Base interactions energy: -1841.797
where: short stacking energy: -760.754
Base-Backbone interact. energy: -2.310
local terms energy: -781.348168
where:
bonds (distance) C4'-P energy: -151.960
bonds (distance) P-C4' energy: -126.190
flat angles C4'-P-C4' energy: -155.529
flat angles P-C4'-P energy: -113.889
tors. eta vs tors. theta energy: -233.781
Dist. restrs. and SS energy: 12.367 (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: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2597.324520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.324520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.295130 (E_RNA)
where:
Base-Base interactions energy: -1848.470
where: short stacking energy: -768.303
Base-Backbone interact. energy: -1.262
local terms energy: -751.563285
where:
bonds (distance) C4'-P energy: -128.490
bonds (distance) P-C4' energy: -125.669
flat angles C4'-P-C4' energy: -154.397
flat angles P-C4'-P energy: -102.020
tors. eta vs tors. theta energy: -240.987
Dist. restrs. and SS energy: 3.971 (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: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2482.430114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.128544 (E_RNA)
where:
Base-Base interactions energy: -1756.401
where: short stacking energy: -708.970
Base-Backbone interact. energy: -0.175
local terms energy: -733.553071
where:
bonds (distance) C4'-P energy: -137.190
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -157.789
flat angles P-C4'-P energy: -110.983
tors. eta vs tors. theta energy: -213.145
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: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2425.924676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.924676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.520895 (E_RNA)
where:
Base-Base interactions energy: -1734.889
where: short stacking energy: -713.960
Base-Backbone interact. energy: -1.904
local terms energy: -696.728379
where:
bonds (distance) C4'-P energy: -115.441
bonds (distance) P-C4' energy: -107.230
flat angles C4'-P-C4' energy: -149.504
flat angles P-C4'-P energy: -98.468
tors. eta vs tors. theta energy: -226.086
Dist. restrs. and SS energy: 7.596 (S_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: 328
Temperature: 1.200000
Total energy: -2313.449877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.449877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.779441 (E_RNA)
where:
Base-Base interactions energy: -1636.973
where: short stacking energy: -663.714
Base-Backbone interact. energy: 1.919
local terms energy: -691.726373
where:
bonds (distance) C4'-P energy: -131.220
bonds (distance) P-C4' energy: -130.364
flat angles C4'-P-C4' energy: -140.587
flat angles P-C4'-P energy: -92.435
tors. eta vs tors. theta energy: -197.120
Dist. restrs. and SS energy: 13.330 (S_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: 328
Temperature: 1.250000
Total energy: -2154.431442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.431442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.896192 (E_RNA)
where:
Base-Base interactions energy: -1513.496
where: short stacking energy: -626.432
Base-Backbone interact. energy: -1.485
local terms energy: -650.915817
where:
bonds (distance) C4'-P energy: -119.029
bonds (distance) P-C4' energy: -113.195
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -95.187
tors. eta vs tors. theta energy: -196.722
Dist. restrs. and SS energy: 11.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -2103.469786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.469786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.742962 (E_RNA)
where:
Base-Base interactions energy: -1523.870
where: short stacking energy: -588.563
Base-Backbone interact. energy: -2.094
local terms energy: -603.778566
where:
bonds (distance) C4'-P energy: -100.193
bonds (distance) P-C4' energy: -101.521
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -77.730
tors. eta vs tors. theta energy: -190.794
Dist. restrs. and SS energy: 26.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1953.937361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.937361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.949986 (E_RNA)
where:
Base-Base interactions energy: -1380.266
where: short stacking energy: -559.894
Base-Backbone interact. energy: -1.397
local terms energy: -598.286738
where:
bonds (distance) C4'-P energy: -114.731
bonds (distance) P-C4' energy: -107.687
flat angles C4'-P-C4' energy: -130.914
flat angles P-C4'-P energy: -80.818
tors. eta vs tors. theta energy: -164.137
Dist. restrs. and SS energy: 26.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2735.038853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.038853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.760114 (E_RNA)
where:
Base-Base interactions energy: -1940.347
where: short stacking energy: -783.413
Base-Backbone interact. energy: -1.142
local terms energy: -799.271081
where:
bonds (distance) C4'-P energy: -139.626
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -180.690
flat angles P-C4'-P energy: -117.517
tors. eta vs tors. theta energy: -239.507
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: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2713.472461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.472461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.557792 (E_RNA)
where:
Base-Base interactions energy: -1927.284
where: short stacking energy: -782.684
Base-Backbone interact. energy: 0.747
local terms energy: -792.021102
where:
bonds (distance) C4'-P energy: -138.937
bonds (distance) P-C4' energy: -142.322
flat angles C4'-P-C4' energy: -164.490
flat angles P-C4'-P energy: -110.365
tors. eta vs tors. theta energy: -235.907
Dist. restrs. and SS energy: 5.085 (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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2635.723819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.723819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.247435 (E_RNA)
where:
Base-Base interactions energy: -1868.392
where: short stacking energy: -760.188
Base-Backbone interact. energy: 1.993
local terms energy: -780.848377
where:
bonds (distance) C4'-P energy: -140.454
bonds (distance) P-C4' energy: -141.574
flat angles C4'-P-C4' energy: -149.198
flat angles P-C4'-P energy: -100.504
tors. eta vs tors. theta energy: -249.118
Dist. restrs. and SS energy: 11.524 (S_DIST_RNA)
chem. 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: -2566.468398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.468398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.353869 (E_RNA)
where:
Base-Base interactions energy: -1805.252
where: short stacking energy: -741.135
Base-Backbone interact. energy: -2.815
local terms energy: -762.287478
where:
bonds (distance) C4'-P energy: -134.905
bonds (distance) P-C4' energy: -134.574
flat angles C4'-P-C4' energy: -164.671
flat angles P-C4'-P energy: -98.609
tors. eta vs tors. theta energy: -229.529
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2490.330611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.330611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.866365 (E_RNA)
where:
Base-Base interactions energy: -1797.030
where: short stacking energy: -706.122
Base-Backbone interact. energy: 5.857
local terms energy: -703.693864
where:
bonds (distance) C4'-P energy: -106.476
bonds (distance) P-C4' energy: -140.224
flat angles C4'-P-C4' energy: -147.047
flat angles P-C4'-P energy: -89.193
tors. eta vs tors. theta energy: -220.753
Dist. restrs. and SS energy: 4.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2434.236097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.236097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.380651 (E_RNA)
where:
Base-Base interactions energy: -1747.800
where: short stacking energy: -696.155
Base-Backbone interact. energy: -2.694
local terms energy: -690.886591
where:
bonds (distance) C4'-P energy: -115.919
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -155.508
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -207.828
Dist. restrs. and SS energy: 7.145 (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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2287.022618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.022618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.378006 (E_RNA)
where:
Base-Base interactions energy: -1622.545
where: short stacking energy: -644.297
Base-Backbone interact. energy: -2.206
local terms energy: -672.627632
where:
bonds (distance) C4'-P energy: -108.820
bonds (distance) P-C4' energy: -113.840
flat angles C4'-P-C4' energy: -136.602
flat angles P-C4'-P energy: -108.865
tors. eta vs tors. theta energy: -204.501
Dist. restrs. and SS energy: 10.355 (S_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: -2169.084952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.084952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.269076 (E_RNA)
where:
Base-Base interactions energy: -1522.364
where: short stacking energy: -609.548
Base-Backbone interact. energy: -0.543
local terms energy: -655.362252
where:
bonds (distance) C4'-P energy: -100.845
bonds (distance) P-C4' energy: -133.527
flat angles C4'-P-C4' energy: -138.641
flat angles P-C4'-P energy: -94.659
tors. eta vs tors. theta energy: -187.690
Dist. restrs. and SS energy: 9.184 (S_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: 329
Temperature: 1.300000
Total energy: -2035.187499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.803536 (E_RNA)
where:
Base-Base interactions energy: -1497.580
where: short stacking energy: -585.868
Base-Backbone interact. energy: 5.445
local terms energy: -571.667967
where:
bonds (distance) C4'-P energy: -92.174
bonds (distance) P-C4' energy: -113.289
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -70.566
tors. eta vs tors. theta energy: -178.145
Dist. restrs. and SS energy: 28.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1953.222043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.222043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.512264 (E_RNA)
where:
Base-Base interactions energy: -1417.811
where: short stacking energy: -558.076
Base-Backbone interact. energy: 4.740
local terms energy: -557.441403
where:
bonds (distance) C4'-P energy: -106.789
bonds (distance) P-C4' energy: -84.629
flat angles C4'-P-C4' energy: -121.878
flat angles P-C4'-P energy: -73.208
tors. eta vs tors. theta energy: -170.937
Dist. restrs. and SS energy: 17.290 (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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2743.981324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.981324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.852459 (E_RNA)
where:
Base-Base interactions energy: -1944.574
where: short stacking energy: -778.780
Base-Backbone interact. energy: -2.151
local terms energy: -803.127581
where:
bonds (distance) C4'-P energy: -141.581
bonds (distance) P-C4' energy: -136.956
flat angles C4'-P-C4' energy: -161.084
flat angles P-C4'-P energy: -126.624
tors. eta vs tors. theta energy: -236.883
Dist. restrs. and SS energy: 5.871 (S_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: 330
Temperature: 0.950000
Total energy: -2732.704065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.704065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.361890 (E_RNA)
where:
Base-Base interactions energy: -1941.362
where: short stacking energy: -804.879
Base-Backbone interact. energy: 1.635
local terms energy: -799.634853
where:
bonds (distance) C4'-P energy: -143.520
bonds (distance) P-C4' energy: -130.338
flat angles C4'-P-C4' energy: -164.185
flat angles P-C4'-P energy: -111.931
tors. eta vs tors. theta energy: -249.661
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2606.187854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.187854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.081239 (E_RNA)
where:
Base-Base interactions energy: -1843.492
where: short stacking energy: -730.182
Base-Backbone interact. energy: -4.229
local terms energy: -766.359990
where:
bonds (distance) C4'-P energy: -138.175
bonds (distance) P-C4' energy: -128.795
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -116.511
tors. eta vs tors. theta energy: -228.393
Dist. restrs. and SS energy: 7.893 (S_DIST_RNA)
chem. 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: -2569.921009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.921009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.401236 (E_RNA)
where:
Base-Base interactions energy: -1813.509
where: short stacking energy: -751.770
Base-Backbone interact. energy: -2.340
local terms energy: -757.552577
where:
bonds (distance) C4'-P energy: -137.092
bonds (distance) P-C4' energy: -144.385
flat angles C4'-P-C4' energy: -145.862
flat angles P-C4'-P energy: -107.197
tors. eta vs tors. theta energy: -223.016
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2474.878692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.878692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.647159 (E_RNA)
where:
Base-Base interactions energy: -1773.911
where: short stacking energy: -699.446
Base-Backbone interact. energy: 4.064
local terms energy: -712.800989
where:
bonds (distance) C4'-P energy: -112.519
bonds (distance) P-C4' energy: -125.855
flat angles C4'-P-C4' energy: -146.155
flat angles P-C4'-P energy: -117.535
tors. eta vs tors. theta energy: -210.738
Dist. restrs. and SS energy: 7.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2422.524188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.524188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.036537 (E_RNA)
where:
Base-Base interactions energy: -1734.324
where: short stacking energy: -718.408
Base-Backbone interact. energy: -1.895
local terms energy: -694.817575
where:
bonds (distance) C4'-P energy: -118.112
bonds (distance) P-C4' energy: -122.875
flat angles C4'-P-C4' energy: -145.857
flat angles P-C4'-P energy: -86.989
tors. eta vs tors. theta energy: -220.983
Dist. restrs. and SS energy: 8.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2302.223619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.223619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.342977 (E_RNA)
where:
Base-Base interactions energy: -1610.680
where: short stacking energy: -659.440
Base-Backbone interact. energy: -2.592
local terms energy: -696.071277
where:
bonds (distance) C4'-P energy: -125.423
bonds (distance) P-C4' energy: -116.050
flat angles C4'-P-C4' energy: -149.826
flat angles P-C4'-P energy: -100.407
tors. eta vs tors. theta energy: -204.366
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: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2188.102666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.102666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.690533 (E_RNA)
where:
Base-Base interactions energy: -1570.651
where: short stacking energy: -627.811
Base-Backbone interact. energy: -4.561
local terms energy: -627.478826
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -143.825
flat angles C4'-P-C4' energy: -113.638
flat angles P-C4'-P energy: -75.631
tors. eta vs tors. theta energy: -188.997
Dist. restrs. and SS energy: 14.588 (S_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: 330
Temperature: 1.300000
Total energy: -2070.716021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.716021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.768339 (E_RNA)
where:
Base-Base interactions energy: -1474.056
where: short stacking energy: -604.104
Base-Backbone interact. energy: -1.482
local terms energy: -619.230447
where:
bonds (distance) C4'-P energy: -106.029
bonds (distance) P-C4' energy: -113.140
flat angles C4'-P-C4' energy: -136.030
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -183.910
Dist. restrs. and SS energy: 24.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1947.836199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.836199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.042529 (E_RNA)
where:
Base-Base interactions energy: -1418.899
where: short stacking energy: -575.315
Base-Backbone interact. energy: -0.140
local terms energy: -558.003894
where:
bonds (distance) C4'-P energy: -115.285
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -54.783
tors. eta vs tors. theta energy: -175.989
Dist. restrs. and SS energy: 29.206 (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: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2754.025922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.025922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.403220 (E_RNA)
where:
Base-Base interactions energy: -1946.058
where: short stacking energy: -779.069
Base-Backbone interact. energy: 1.287
local terms energy: -816.631690
where:
bonds (distance) C4'-P energy: -158.277
bonds (distance) P-C4' energy: -131.036
flat angles C4'-P-C4' energy: -162.200
flat angles P-C4'-P energy: -117.394
tors. eta vs tors. theta energy: -247.724
Dist. restrs. and SS energy: 7.377 (S_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: 331
Temperature: 0.950000
Total energy: -2701.716566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.716566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.801965 (E_RNA)
where:
Base-Base interactions energy: -1924.276
where: short stacking energy: -765.591
Base-Backbone interact. energy: -3.748
local terms energy: -779.777916
where:
bonds (distance) C4'-P energy: -130.356
bonds (distance) P-C4' energy: -125.868
flat angles C4'-P-C4' energy: -165.588
flat angles P-C4'-P energy: -110.329
tors. eta vs tors. theta energy: -247.638
Dist. restrs. and SS energy: 6.085 (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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2619.903783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.903783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.118744 (E_RNA)
where:
Base-Base interactions energy: -1856.452
where: short stacking energy: -741.654
Base-Backbone interact. energy: -2.853
local terms energy: -768.814102
where:
bonds (distance) C4'-P energy: -111.424
bonds (distance) P-C4' energy: -138.946
flat angles C4'-P-C4' energy: -163.140
flat angles P-C4'-P energy: -122.932
tors. eta vs tors. theta energy: -232.371
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2545.998678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.998678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.695868 (E_RNA)
where:
Base-Base interactions energy: -1840.544
where: short stacking energy: -750.760
Base-Backbone interact. energy: 2.521
local terms energy: -714.673227
where:
bonds (distance) C4'-P energy: -119.051
bonds (distance) P-C4' energy: -121.933
flat angles C4'-P-C4' energy: -152.605
flat angles P-C4'-P energy: -88.947
tors. eta vs tors. theta energy: -232.137
Dist. restrs. and SS energy: 6.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2505.467036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.467036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.444582 (E_RNA)
where:
Base-Base interactions energy: -1786.350
where: short stacking energy: -734.489
Base-Backbone interact. energy: -2.051
local terms energy: -724.043191
where:
bonds (distance) C4'-P energy: -134.211
bonds (distance) P-C4' energy: -111.567
flat angles C4'-P-C4' energy: -152.022
flat angles P-C4'-P energy: -106.417
tors. eta vs tors. theta energy: -219.825
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2440.194940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.194940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.670534 (E_RNA)
where:
Base-Base interactions energy: -1730.524
where: short stacking energy: -705.612
Base-Backbone interact. energy: -3.504
local terms energy: -714.642191
where:
bonds (distance) C4'-P energy: -126.551
bonds (distance) P-C4' energy: -115.619
flat angles C4'-P-C4' energy: -163.080
flat angles P-C4'-P energy: -97.763
tors. eta vs tors. theta energy: -211.629
Dist. restrs. and SS energy: 8.476 (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: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2364.486182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.486182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.008343 (E_RNA)
where:
Base-Base interactions energy: -1659.464
where: short stacking energy: -672.405
Base-Backbone interact. energy: 2.828
local terms energy: -715.371768
where:
bonds (distance) C4'-P energy: -132.223
bonds (distance) P-C4' energy: -119.902
flat angles C4'-P-C4' energy: -145.591
flat angles P-C4'-P energy: -92.919
tors. eta vs tors. theta energy: -224.737
Dist. restrs. and SS energy: 7.522 (S_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: -2167.637425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.637425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.926874 (E_RNA)
where:
Base-Base interactions energy: -1553.193
where: short stacking energy: -623.918
Base-Backbone interact. energy: -0.497
local terms energy: -622.236396
where:
bonds (distance) C4'-P energy: -113.291
bonds (distance) P-C4' energy: -96.008
flat angles C4'-P-C4' energy: -147.741
flat angles P-C4'-P energy: -85.319
tors. eta vs tors. theta energy: -179.879
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: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -2042.987104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.987104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.741684 (E_RNA)
where:
Base-Base interactions energy: -1459.159
where: short stacking energy: -577.890
Base-Backbone interact. energy: 4.399
local terms energy: -611.981915
where:
bonds (distance) C4'-P energy: -111.723
bonds (distance) P-C4' energy: -115.312
flat angles C4'-P-C4' energy: -130.695
flat angles P-C4'-P energy: -90.633
tors. eta vs tors. theta energy: -163.619
Dist. restrs. and SS energy: 23.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1953.915870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.915870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.292134 (E_RNA)
where:
Base-Base interactions energy: -1420.451
where: short stacking energy: -559.407
Base-Backbone interact. energy: 2.059
local terms energy: -565.899959
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -91.254
flat angles C4'-P-C4' energy: -116.335
flat angles P-C4'-P energy: -81.241
tors. eta vs tors. theta energy: -164.553
Dist. restrs. and SS energy: 30.376 (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: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2750.869694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.869694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.139341 (E_RNA)
where:
Base-Base interactions energy: -1970.676
where: short stacking energy: -806.193
Base-Backbone interact. energy: -0.466
local terms energy: -786.997091
where:
bonds (distance) C4'-P energy: -139.724
bonds (distance) P-C4' energy: -136.817
flat angles C4'-P-C4' energy: -155.467
flat angles P-C4'-P energy: -115.632
tors. eta vs tors. theta energy: -239.356
Dist. restrs. and SS energy: 7.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2719.715502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.715502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.892314 (E_RNA)
where:
Base-Base interactions energy: -1942.025
where: short stacking energy: -789.052
Base-Backbone interact. energy: 2.406
local terms energy: -789.272863
where:
bonds (distance) C4'-P energy: -124.968
bonds (distance) P-C4' energy: -136.041
flat angles C4'-P-C4' energy: -160.550
flat angles P-C4'-P energy: -117.152
tors. eta vs tors. theta energy: -250.562
Dist. restrs. and SS energy: 9.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2636.681831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.681831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.599007 (E_RNA)
where:
Base-Base interactions energy: -1903.252
where: short stacking energy: -770.780
Base-Backbone interact. energy: 0.902
local terms energy: -743.248384
where:
bonds (distance) C4'-P energy: -123.669
bonds (distance) P-C4' energy: -103.647
flat angles C4'-P-C4' energy: -161.856
flat angles P-C4'-P energy: -113.959
tors. eta vs tors. theta energy: -240.116
Dist. restrs. and SS energy: 8.917 (S_DIST_RNA)
chem. 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: -2558.623569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.623569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.411339 (E_RNA)
where:
Base-Base interactions energy: -1818.902
where: short stacking energy: -760.811
Base-Backbone interact. energy: -1.997
local terms energy: -741.512366
where:
bonds (distance) C4'-P energy: -127.002
bonds (distance) P-C4' energy: -116.886
flat angles C4'-P-C4' energy: -148.059
flat angles P-C4'-P energy: -113.094
tors. eta vs tors. theta energy: -236.471
Dist. restrs. and SS energy: 3.788 (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: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2500.192528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.192528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.047430 (E_RNA)
where:
Base-Base interactions energy: -1765.909
where: short stacking energy: -712.300
Base-Backbone interact. energy: -5.821
local terms energy: -735.317497
where:
bonds (distance) C4'-P energy: -125.617
bonds (distance) P-C4' energy: -130.780
flat angles C4'-P-C4' energy: -151.325
flat angles P-C4'-P energy: -99.410
tors. eta vs tors. theta energy: -228.185
Dist. restrs. and SS energy: 6.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2455.474575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.474575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.382510 (E_RNA)
where:
Base-Base interactions energy: -1743.343
where: short stacking energy: -704.744
Base-Backbone interact. energy: -0.743
local terms energy: -719.296682
where:
bonds (distance) C4'-P energy: -119.797
bonds (distance) P-C4' energy: -137.172
flat angles C4'-P-C4' energy: -147.892
flat angles P-C4'-P energy: -101.285
tors. eta vs tors. theta energy: -213.151
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: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2324.901409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.901409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.580768 (E_RNA)
where:
Base-Base interactions energy: -1655.428
where: short stacking energy: -662.205
Base-Backbone interact. energy: 0.836
local terms energy: -682.988720
where:
bonds (distance) C4'-P energy: -118.230
bonds (distance) P-C4' energy: -121.397
flat angles C4'-P-C4' energy: -132.477
flat angles P-C4'-P energy: -95.530
tors. eta vs tors. theta energy: -215.355
Dist. restrs. and SS energy: 12.679 (S_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: -2170.279078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.279078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.200815 (E_RNA)
where:
Base-Base interactions energy: -1560.210
where: short stacking energy: -633.120
Base-Backbone interact. energy: -3.128
local terms energy: -616.862983
where:
bonds (distance) C4'-P energy: -114.221
bonds (distance) P-C4' energy: -94.372
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -188.847
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: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -2014.271696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.271696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.105463 (E_RNA)
where:
Base-Base interactions energy: -1432.117
where: short stacking energy: -598.137
Base-Backbone interact. energy: -0.263
local terms energy: -611.725319
where:
bonds (distance) C4'-P energy: -95.222
bonds (distance) P-C4' energy: -108.430
flat angles C4'-P-C4' energy: -120.422
flat angles P-C4'-P energy: -97.634
tors. eta vs tors. theta energy: -190.017
Dist. restrs. and SS energy: 29.834 (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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1921.873030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.873030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.104793 (E_RNA)
where:
Base-Base interactions energy: -1381.047
where: short stacking energy: -549.258
Base-Backbone interact. energy: 0.028
local terms energy: -573.086256
where:
bonds (distance) C4'-P energy: -102.444
bonds (distance) P-C4' energy: -98.451
flat angles C4'-P-C4' energy: -130.423
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -156.033
Dist. restrs. and SS energy: 32.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2740.230047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.230047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.163672 (E_RNA)
where:
Base-Base interactions energy: -1936.356
where: short stacking energy: -799.023
Base-Backbone interact. energy: -3.000
local terms energy: -807.807214
where:
bonds (distance) C4'-P energy: -143.095
bonds (distance) P-C4' energy: -141.751
flat angles C4'-P-C4' energy: -163.547
flat angles P-C4'-P energy: -115.650
tors. eta vs tors. theta energy: -243.765
Dist. restrs. and SS energy: 6.934 (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: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2742.888463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.888463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.935850 (E_RNA)
where:
Base-Base interactions energy: -1945.240
where: short stacking energy: -778.343
Base-Backbone interact. energy: -3.067
local terms energy: -803.628988
where:
bonds (distance) C4'-P energy: -143.129
bonds (distance) P-C4' energy: -143.340
flat angles C4'-P-C4' energy: -165.700
flat angles P-C4'-P energy: -112.022
tors. eta vs tors. theta energy: -239.437
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: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2653.959391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.959391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.232014 (E_RNA)
where:
Base-Base interactions energy: -1892.375
where: short stacking energy: -784.103
Base-Backbone interact. energy: -3.087
local terms energy: -766.769907
where:
bonds (distance) C4'-P energy: -135.075
bonds (distance) P-C4' energy: -135.825
flat angles C4'-P-C4' energy: -147.629
flat angles P-C4'-P energy: -100.093
tors. eta vs tors. theta energy: -248.148
Dist. restrs. and SS energy: 8.273 (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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2522.259878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.259878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.377147 (E_RNA)
where:
Base-Base interactions energy: -1774.673
where: short stacking energy: -721.913
Base-Backbone interact. energy: -2.696
local terms energy: -751.008260
where:
bonds (distance) C4'-P energy: -129.229
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -161.526
flat angles P-C4'-P energy: -108.820
tors. eta vs tors. theta energy: -222.229
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: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2504.397586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.397586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.531634 (E_RNA)
where:
Base-Base interactions energy: -1765.987
where: short stacking energy: -741.286
Base-Backbone interact. energy: -1.120
local terms energy: -741.425299
where:
bonds (distance) C4'-P energy: -135.350
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -161.299
flat angles P-C4'-P energy: -108.475
tors. eta vs tors. theta energy: -227.179
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: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2440.853485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.853485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.792641 (E_RNA)
where:
Base-Base interactions energy: -1712.965
where: short stacking energy: -680.354
Base-Backbone interact. energy: -4.032
local terms energy: -734.795533
where:
bonds (distance) C4'-P energy: -115.698
bonds (distance) P-C4' energy: -134.380
flat angles C4'-P-C4' energy: -161.420
flat angles P-C4'-P energy: -98.593
tors. eta vs tors. theta energy: -224.705
Dist. restrs. and SS energy: 10.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2340.286082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.286082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.245799 (E_RNA)
where:
Base-Base interactions energy: -1705.047
where: short stacking energy: -677.132
Base-Backbone interact. energy: -2.410
local terms energy: -647.788709
where:
bonds (distance) C4'-P energy: -100.353
bonds (distance) P-C4' energy: -107.629
flat angles C4'-P-C4' energy: -145.461
flat angles P-C4'-P energy: -78.471
tors. eta vs tors. theta energy: -215.874
Dist. restrs. and SS energy: 14.960 (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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2203.977076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.977076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.353047 (E_RNA)
where:
Base-Base interactions energy: -1589.738
where: short stacking energy: -646.127
Base-Backbone interact. energy: 3.184
local terms energy: -627.798767
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -119.491
flat angles C4'-P-C4' energy: -121.598
flat angles P-C4'-P energy: -84.804
tors. eta vs tors. theta energy: -195.791
Dist. restrs. and SS energy: 10.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -2021.796518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.796518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.634577 (E_RNA)
where:
Base-Base interactions energy: -1421.081
where: short stacking energy: -593.795
Base-Backbone interact. energy: 0.236
local terms energy: -628.789955
where:
bonds (distance) C4'-P energy: -126.229
bonds (distance) P-C4' energy: -104.627
flat angles C4'-P-C4' energy: -132.383
flat angles P-C4'-P energy: -90.558
tors. eta vs tors. theta energy: -174.993
Dist. restrs. and SS energy: 27.838 (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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1936.822110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.822110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.308841 (E_RNA)
where:
Base-Base interactions energy: -1392.582
where: short stacking energy: -558.503
Base-Backbone interact. energy: -1.804
local terms energy: -567.922991
where:
bonds (distance) C4'-P energy: -110.467
bonds (distance) P-C4' energy: -90.433
flat angles C4'-P-C4' energy: -131.629
flat angles P-C4'-P energy: -70.465
tors. eta vs tors. theta energy: -164.929
Dist. restrs. and SS energy: 25.487 (S_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: 334
Temperature: 0.900000
Total energy: -2726.410355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.410355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.537471 (E_RNA)
where:
Base-Base interactions energy: -1925.319
where: short stacking energy: -801.632
Base-Backbone interact. energy: -0.779
local terms energy: -808.439332
where:
bonds (distance) C4'-P energy: -143.658
bonds (distance) P-C4' energy: -134.618
flat angles C4'-P-C4' energy: -164.414
flat angles P-C4'-P energy: -126.478
tors. eta vs tors. theta energy: -239.271
Dist. restrs. and SS energy: 8.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2696.460671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.460671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.816057 (E_RNA)
where:
Base-Base interactions energy: -1882.230
where: short stacking energy: -775.045
Base-Backbone interact. energy: -1.919
local terms energy: -819.666925
where:
bonds (distance) C4'-P energy: -143.458
bonds (distance) P-C4' energy: -136.596
flat angles C4'-P-C4' energy: -173.419
flat angles P-C4'-P energy: -122.970
tors. eta vs tors. theta energy: -243.224
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2649.566737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.566737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.520237 (E_RNA)
where:
Base-Base interactions energy: -1872.500
where: short stacking energy: -786.013
Base-Backbone interact. energy: 0.205
local terms energy: -784.225753
where:
bonds (distance) C4'-P energy: -134.566
bonds (distance) P-C4' energy: -133.083
flat angles C4'-P-C4' energy: -160.339
flat angles P-C4'-P energy: -104.191
tors. eta vs tors. theta energy: -252.047
Dist. restrs. and SS energy: 6.953 (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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2531.799777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.799777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.806132 (E_RNA)
where:
Base-Base interactions energy: -1773.051
where: short stacking energy: -725.975
Base-Backbone interact. energy: -3.733
local terms energy: -762.022199
where:
bonds (distance) C4'-P energy: -140.115
bonds (distance) P-C4' energy: -145.223
flat angles C4'-P-C4' energy: -158.514
flat angles P-C4'-P energy: -91.370
tors. eta vs tors. theta energy: -226.800
Dist. restrs. and SS energy: 7.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2473.974431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.974431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.711257 (E_RNA)
where:
Base-Base interactions energy: -1762.596
where: short stacking energy: -688.322
Base-Backbone interact. energy: -2.520
local terms energy: -714.595880
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -125.326
flat angles C4'-P-C4' energy: -154.865
flat angles P-C4'-P energy: -101.420
tors. eta vs tors. theta energy: -213.042
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: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2443.973376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.973376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.096818 (E_RNA)
where:
Base-Base interactions energy: -1751.365
where: short stacking energy: -716.749
Base-Backbone interact. energy: -0.927
local terms energy: -695.804841
where:
bonds (distance) C4'-P energy: -119.023
bonds (distance) P-C4' energy: -104.600
flat angles C4'-P-C4' energy: -142.620
flat angles P-C4'-P energy: -99.089
tors. eta vs tors. theta energy: -230.473
Dist. restrs. and SS energy: 4.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2274.765426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.765426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.053352 (E_RNA)
where:
Base-Base interactions energy: -1618.250
where: short stacking energy: -655.502
Base-Backbone interact. energy: 0.789
local terms energy: -668.592298
where:
bonds (distance) C4'-P energy: -90.386
bonds (distance) P-C4' energy: -129.982
flat angles C4'-P-C4' energy: -142.385
flat angles P-C4'-P energy: -103.537
tors. eta vs tors. theta energy: -202.303
Dist. restrs. and SS energy: 11.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2226.473099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.473099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.437716 (E_RNA)
where:
Base-Base interactions energy: -1582.815
where: short stacking energy: -634.491
Base-Backbone interact. energy: 0.253
local terms energy: -665.875720
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -118.081
flat angles C4'-P-C4' energy: -142.777
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: -205.691
Dist. restrs. and SS energy: 21.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -2027.481036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.255471 (E_RNA)
where:
Base-Base interactions energy: -1433.390
where: short stacking energy: -572.908
Base-Backbone interact. energy: -2.142
local terms energy: -604.723731
where:
bonds (distance) C4'-P energy: -97.643
bonds (distance) P-C4' energy: -115.964
flat angles C4'-P-C4' energy: -112.083
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -186.523
Dist. restrs. and SS energy: 12.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1961.076933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.169720 (E_RNA)
where:
Base-Base interactions energy: -1391.716
where: short stacking energy: -548.234
Base-Backbone interact. energy: 3.440
local terms energy: -592.893866
where:
bonds (distance) C4'-P energy: -128.647
bonds (distance) P-C4' energy: -116.387
flat angles C4'-P-C4' energy: -129.173
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -169.766
Dist. restrs. and SS energy: 20.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2747.029128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.029128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.954321 (E_RNA)
where:
Base-Base interactions energy: -1947.777
where: short stacking energy: -793.735
Base-Backbone interact. energy: -3.264
local terms energy: -802.914162
where:
bonds (distance) C4'-P energy: -137.661
bonds (distance) P-C4' energy: -135.488
flat angles C4'-P-C4' energy: -166.124
flat angles P-C4'-P energy: -118.487
tors. eta vs tors. theta energy: -245.154
Dist. restrs. and SS energy: 6.925 (S_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: 335
Temperature: 0.950000
Total energy: -2689.556980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.556980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.967950 (E_RNA)
where:
Base-Base interactions energy: -1898.639
where: short stacking energy: -790.626
Base-Backbone interact. energy: -3.146
local terms energy: -796.182582
where:
bonds (distance) C4'-P energy: -143.605
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -153.980
flat angles P-C4'-P energy: -103.532
tors. eta vs tors. theta energy: -251.147
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: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2639.142614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.142614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.556355 (E_RNA)
where:
Base-Base interactions energy: -1866.322
where: short stacking energy: -753.103
Base-Backbone interact. energy: -3.973
local terms energy: -776.261820
where:
bonds (distance) C4'-P energy: -133.065
bonds (distance) P-C4' energy: -144.922
flat angles C4'-P-C4' energy: -143.006
flat angles P-C4'-P energy: -114.090
tors. eta vs tors. theta energy: -241.177
Dist. restrs. and SS energy: 7.414 (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: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2532.456862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.456862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.969013 (E_RNA)
where:
Base-Base interactions energy: -1784.287
where: short stacking energy: -742.741
Base-Backbone interact. energy: -1.392
local terms energy: -752.290303
where:
bonds (distance) C4'-P energy: -137.239
bonds (distance) P-C4' energy: -132.250
flat angles C4'-P-C4' energy: -156.778
flat angles P-C4'-P energy: -85.091
tors. eta vs tors. theta energy: -240.931
Dist. restrs. and SS energy: 5.512 (S_DIST_RNA)
chem. 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: -2501.897793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.897793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.127777 (E_RNA)
where:
Base-Base interactions energy: -1777.714
where: short stacking energy: -698.750
Base-Backbone interact. energy: -2.400
local terms energy: -730.013871
where:
bonds (distance) C4'-P energy: -122.279
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -146.369
flat angles P-C4'-P energy: -102.547
tors. eta vs tors. theta energy: -229.173
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2413.348798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.348798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.917303 (E_RNA)
where:
Base-Base interactions energy: -1731.841
where: short stacking energy: -693.106
Base-Backbone interact. energy: -3.027
local terms energy: -684.048786
where:
bonds (distance) C4'-P energy: -135.322
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -127.799
flat angles P-C4'-P energy: -90.929
tors. eta vs tors. theta energy: -217.050
Dist. restrs. and SS energy: 5.569 (S_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: 335
Temperature: 1.200000
Total energy: -2246.007060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.007060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.704501 (E_RNA)
where:
Base-Base interactions energy: -1583.129
where: short stacking energy: -663.564
Base-Backbone interact. energy: 2.484
local terms energy: -678.059397
where:
bonds (distance) C4'-P energy: -117.778
bonds (distance) P-C4' energy: -130.682
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -92.616
tors. eta vs tors. theta energy: -198.083
Dist. restrs. and SS energy: 12.697 (S_DIST_RNA)
chem. 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: -2238.878409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.878409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.246185 (E_RNA)
where:
Base-Base interactions energy: -1600.420
where: short stacking energy: -657.866
Base-Backbone interact. energy: -0.107
local terms energy: -648.719089
where:
bonds (distance) C4'-P energy: -123.606
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -142.782
flat angles P-C4'-P energy: -85.910
tors. eta vs tors. theta energy: -197.587
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1993.057556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.057556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.636520 (E_RNA)
where:
Base-Base interactions energy: -1415.831
where: short stacking energy: -563.865
Base-Backbone interact. energy: 0.201
local terms energy: -600.006544
where:
bonds (distance) C4'-P energy: -106.199
bonds (distance) P-C4' energy: -108.088
flat angles C4'-P-C4' energy: -130.261
flat angles P-C4'-P energy: -82.379
tors. eta vs tors. theta energy: -173.080
Dist. restrs. and SS energy: 22.579 (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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1927.775975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.775975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.842150 (E_RNA)
where:
Base-Base interactions energy: -1430.533
where: short stacking energy: -569.251
Base-Backbone interact. energy: -1.134
local terms energy: -525.174549
where:
bonds (distance) C4'-P energy: -88.297
bonds (distance) P-C4' energy: -71.773
flat angles C4'-P-C4' energy: -115.147
flat angles P-C4'-P energy: -76.851
tors. eta vs tors. theta energy: -173.107
Dist. restrs. and SS energy: 29.066 (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: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2755.857273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.857273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.443581 (E_RNA)
where:
Base-Base interactions energy: -1964.228
where: short stacking energy: -802.891
Base-Backbone interact. energy: -2.445
local terms energy: -796.770889
where:
bonds (distance) C4'-P energy: -134.068
bonds (distance) P-C4' energy: -146.141
flat angles C4'-P-C4' energy: -148.016
flat angles P-C4'-P energy: -113.634
tors. eta vs tors. theta energy: -254.913
Dist. restrs. and SS energy: 7.586 (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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2699.437058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.437058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.193029 (E_RNA)
where:
Base-Base interactions energy: -1920.298
where: short stacking energy: -782.738
Base-Backbone interact. energy: 0.724
local terms energy: -786.618566
where:
bonds (distance) C4'-P energy: -138.312
bonds (distance) P-C4' energy: -143.801
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -108.798
tors. eta vs tors. theta energy: -238.977
Dist. restrs. and SS energy: 6.756 (S_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: 336
Temperature: 1.000000
Total energy: -2658.193456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.193456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.375862 (E_RNA)
where:
Base-Base interactions energy: -1877.545
where: short stacking energy: -769.596
Base-Backbone interact. energy: -1.125
local terms energy: -787.706346
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -125.654
flat angles C4'-P-C4' energy: -163.130
flat angles P-C4'-P energy: -117.359
tors. eta vs tors. theta energy: -248.866
Dist. restrs. and SS energy: 8.182 (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: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2534.301181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.301181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.085843 (E_RNA)
where:
Base-Base interactions energy: -1817.022
where: short stacking energy: -715.946
Base-Backbone interact. energy: 5.119
local terms energy: -728.182646
where:
bonds (distance) C4'-P energy: -131.249
bonds (distance) P-C4' energy: -126.564
flat angles C4'-P-C4' energy: -156.759
flat angles P-C4'-P energy: -96.042
tors. eta vs tors. theta energy: -217.569
Dist. restrs. and SS energy: 5.785 (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: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2515.065081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.065081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.141464 (E_RNA)
where:
Base-Base interactions energy: -1794.688
where: short stacking energy: -731.327
Base-Backbone interact. energy: -3.561
local terms energy: -725.892374
where:
bonds (distance) C4'-P energy: -110.809
bonds (distance) P-C4' energy: -127.016
flat angles C4'-P-C4' energy: -162.665
flat angles P-C4'-P energy: -97.551
tors. eta vs tors. theta energy: -227.852
Dist. restrs. and SS energy: 9.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2435.243448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.243448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.646427 (E_RNA)
where:
Base-Base interactions energy: -1720.419
where: short stacking energy: -705.532
Base-Backbone interact. energy: -1.824
local terms energy: -718.403316
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -129.399
flat angles C4'-P-C4' energy: -143.227
flat angles P-C4'-P energy: -108.474
tors. eta vs tors. theta energy: -227.217
Dist. restrs. and SS energy: 5.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2269.436708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.436708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.836631 (E_RNA)
where:
Base-Base interactions energy: -1640.495
where: short stacking energy: -668.648
Base-Backbone interact. energy: -3.999
local terms energy: -635.342890
where:
bonds (distance) C4'-P energy: -100.173
bonds (distance) P-C4' energy: -103.789
flat angles C4'-P-C4' energy: -145.618
flat angles P-C4'-P energy: -82.205
tors. eta vs tors. theta energy: -203.557
Dist. restrs. and SS energy: 10.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2230.208275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.208275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.778477 (E_RNA)
where:
Base-Base interactions energy: -1598.687
where: short stacking energy: -634.840
Base-Backbone interact. energy: -0.377
local terms energy: -647.714920
where:
bonds (distance) C4'-P energy: -117.305
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -137.343
flat angles P-C4'-P energy: -82.943
tors. eta vs tors. theta energy: -185.856
Dist. restrs. and SS energy: 16.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -2076.132291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.132291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.307668 (E_RNA)
where:
Base-Base interactions energy: -1468.019
where: short stacking energy: -598.695
Base-Backbone interact. energy: 2.496
local terms energy: -629.784154
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -115.304
flat angles C4'-P-C4' energy: -129.836
flat angles P-C4'-P energy: -91.396
tors. eta vs tors. theta energy: -185.159
Dist. restrs. and SS energy: 19.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1968.614637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.614637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.426416 (E_RNA)
where:
Base-Base interactions energy: -1382.341
where: short stacking energy: -548.823
Base-Backbone interact. energy: -4.103
local terms energy: -604.982703
where:
bonds (distance) C4'-P energy: -126.100
bonds (distance) P-C4' energy: -114.995
flat angles C4'-P-C4' energy: -118.111
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -173.830
Dist. restrs. and SS energy: 22.812 (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: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2788.083881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.083881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.188153 (E_RNA)
where:
Base-Base interactions energy: -1974.697
where: short stacking energy: -817.360
Base-Backbone interact. energy: -4.737
local terms energy: -818.753813
where:
bonds (distance) C4'-P energy: -140.422
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -164.552
flat angles P-C4'-P energy: -114.506
tors. eta vs tors. theta energy: -257.536
Dist. restrs. and SS energy: 10.104 (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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2690.354707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.354707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.121904 (E_RNA)
where:
Base-Base interactions energy: -1911.877
where: short stacking energy: -772.450
Base-Backbone interact. energy: -1.923
local terms energy: -783.321946
where:
bonds (distance) C4'-P energy: -133.840
bonds (distance) P-C4' energy: -136.759
flat angles C4'-P-C4' energy: -167.566
flat angles P-C4'-P energy: -98.139
tors. eta vs tors. theta energy: -247.018
Dist. restrs. and SS energy: 6.767 (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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2674.172065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.172065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.970566 (E_RNA)
where:
Base-Base interactions energy: -1859.625
where: short stacking energy: -792.226
Base-Backbone interact. energy: -3.807
local terms energy: -818.537940
where:
bonds (distance) C4'-P energy: -134.963
bonds (distance) P-C4' energy: -137.923
flat angles C4'-P-C4' energy: -164.667
flat angles P-C4'-P energy: -123.633
tors. eta vs tors. theta energy: -257.353
Dist. restrs. and SS energy: 7.799 (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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2560.626899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.626899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.216274 (E_RNA)
where:
Base-Base interactions energy: -1863.312
where: short stacking energy: -739.658
Base-Backbone interact. energy: -3.515
local terms energy: -702.389186
where:
bonds (distance) C4'-P energy: -125.892
bonds (distance) P-C4' energy: -115.738
flat angles C4'-P-C4' energy: -140.998
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -227.246
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: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2485.396417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.396417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.387602 (E_RNA)
where:
Base-Base interactions energy: -1755.745
where: short stacking energy: -725.953
Base-Backbone interact. energy: 1.755
local terms energy: -737.397755
where:
bonds (distance) C4'-P energy: -121.122
bonds (distance) P-C4' energy: -116.444
flat angles C4'-P-C4' energy: -159.461
flat angles P-C4'-P energy: -104.280
tors. eta vs tors. theta energy: -236.091
Dist. restrs. and SS energy: 5.991 (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: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2415.106654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.106654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.300548 (E_RNA)
where:
Base-Base interactions energy: -1722.749
where: short stacking energy: -696.235
Base-Backbone interact. energy: -2.941
local terms energy: -694.610736
where:
bonds (distance) C4'-P energy: -119.523
bonds (distance) P-C4' energy: -134.213
flat angles C4'-P-C4' energy: -140.824
flat angles P-C4'-P energy: -81.677
tors. eta vs tors. theta energy: -218.375
Dist. restrs. and SS energy: 5.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2293.513718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.513718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.399225 (E_RNA)
where:
Base-Base interactions energy: -1635.805
where: short stacking energy: -643.195
Base-Backbone interact. energy: 1.185
local terms energy: -666.779878
where:
bonds (distance) C4'-P energy: -120.070
bonds (distance) P-C4' energy: -120.412
flat angles C4'-P-C4' energy: -148.003
flat angles P-C4'-P energy: -81.007
tors. eta vs tors. theta energy: -197.288
Dist. restrs. and SS energy: 7.886 (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: 337
Temperature: 1.250000
Total energy: -2175.313370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.313370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.363439 (E_RNA)
where:
Base-Base interactions energy: -1553.676
where: short stacking energy: -619.961
Base-Backbone interact. energy: -0.286
local terms energy: -630.401617
where:
bonds (distance) C4'-P energy: -117.906
bonds (distance) P-C4' energy: -105.056
flat angles C4'-P-C4' energy: -134.799
flat angles P-C4'-P energy: -80.339
tors. eta vs tors. theta energy: -192.302
Dist. restrs. and SS energy: 9.050 (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: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -2028.540659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.540659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.595755 (E_RNA)
where:
Base-Base interactions energy: -1429.282
where: short stacking energy: -573.367
Base-Backbone interact. energy: -3.347
local terms energy: -611.966767
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -112.855
flat angles C4'-P-C4' energy: -121.992
flat angles P-C4'-P energy: -88.098
tors. eta vs tors. theta energy: -159.763
Dist. restrs. and SS energy: 16.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1940.107957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.107957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.613958 (E_RNA)
where:
Base-Base interactions energy: -1409.649
where: short stacking energy: -543.283
Base-Backbone interact. energy: -1.589
local terms energy: -554.376355
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -113.110
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -158.647
Dist. restrs. and SS energy: 25.506 (S_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: 338
Temperature: 0.900000
Total energy: -2787.568468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.568468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.967766 (E_RNA)
where:
Base-Base interactions energy: -1963.852
where: short stacking energy: -826.277
Base-Backbone interact. energy: -1.638
local terms energy: -829.477966
where:
bonds (distance) C4'-P energy: -155.124
bonds (distance) P-C4' energy: -132.485
flat angles C4'-P-C4' energy: -161.074
flat angles P-C4'-P energy: -123.486
tors. eta vs tors. theta energy: -257.308
Dist. restrs. and SS energy: 7.399 (S_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: 338
Temperature: 0.950000
Total energy: -2692.353159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.353159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.237177 (E_RNA)
where:
Base-Base interactions energy: -1890.979
where: short stacking energy: -781.823
Base-Backbone interact. energy: -1.627
local terms energy: -806.630347
where:
bonds (distance) C4'-P energy: -139.932
bonds (distance) P-C4' energy: -141.323
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -115.630
tors. eta vs tors. theta energy: -245.127
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: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2646.027552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.027552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.976376 (E_RNA)
where:
Base-Base interactions energy: -1852.616
where: short stacking energy: -778.201
Base-Backbone interact. energy: -1.763
local terms energy: -800.597287
where:
bonds (distance) C4'-P energy: -138.438
bonds (distance) P-C4' energy: -144.504
flat angles C4'-P-C4' energy: -166.944
flat angles P-C4'-P energy: -106.360
tors. eta vs tors. theta energy: -244.351
Dist. restrs. and SS energy: 8.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2555.364813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.364813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.487899 (E_RNA)
where:
Base-Base interactions energy: -1840.241
where: short stacking energy: -730.935
Base-Backbone interact. energy: 1.127
local terms energy: -726.373657
where:
bonds (distance) C4'-P energy: -113.929
bonds (distance) P-C4' energy: -131.175
flat angles C4'-P-C4' energy: -164.402
flat angles P-C4'-P energy: -91.658
tors. eta vs tors. theta energy: -225.211
Dist. restrs. and SS energy: 10.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2492.761199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.761199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.714683 (E_RNA)
where:
Base-Base interactions energy: -1761.210
where: short stacking energy: -703.043
Base-Backbone interact. energy: -0.602
local terms energy: -736.902909
where:
bonds (distance) C4'-P energy: -120.722
bonds (distance) P-C4' energy: -128.431
flat angles C4'-P-C4' energy: -150.897
flat angles P-C4'-P energy: -99.106
tors. eta vs tors. theta energy: -237.747
Dist. restrs. and SS energy: 5.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2451.679500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.679500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.445181 (E_RNA)
where:
Base-Base interactions energy: -1723.849
where: short stacking energy: -719.448
Base-Backbone interact. energy: -1.241
local terms energy: -731.355345
where:
bonds (distance) C4'-P energy: -113.920
bonds (distance) P-C4' energy: -122.092
flat angles C4'-P-C4' energy: -169.550
flat angles P-C4'-P energy: -104.185
tors. eta vs tors. theta energy: -221.608
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: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2208.777829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.777829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.195118 (E_RNA)
where:
Base-Base interactions energy: -1572.976
where: short stacking energy: -619.332
Base-Backbone interact. energy: 1.724
local terms energy: -647.943480
where:
bonds (distance) C4'-P energy: -111.391
bonds (distance) P-C4' energy: -120.104
flat angles C4'-P-C4' energy: -147.949
flat angles P-C4'-P energy: -86.259
tors. eta vs tors. theta energy: -182.241
Dist. restrs. and SS energy: 10.417 (S_DIST_RNA)
chem. 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: -2252.638109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.638109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.835196 (E_RNA)
where:
Base-Base interactions energy: -1601.136
where: short stacking energy: -625.263
Base-Backbone interact. energy: -2.635
local terms energy: -655.064580
where:
bonds (distance) C4'-P energy: -88.713
bonds (distance) P-C4' energy: -121.770
flat angles C4'-P-C4' energy: -154.897
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -196.233
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: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -2044.804843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.804843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.154890 (E_RNA)
where:
Base-Base interactions energy: -1444.525
where: short stacking energy: -556.262
Base-Backbone interact. energy: -2.438
local terms energy: -609.191872
where:
bonds (distance) C4'-P energy: -97.736
bonds (distance) P-C4' energy: -100.621
flat angles C4'-P-C4' energy: -145.704
flat angles P-C4'-P energy: -88.455
tors. eta vs tors. theta energy: -176.676
Dist. restrs. and SS energy: 11.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1941.636238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.636238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.837152 (E_RNA)
where:
Base-Base interactions energy: -1422.569
where: short stacking energy: -558.203
Base-Backbone interact. energy: 0.448
local terms energy: -544.716262
where:
bonds (distance) C4'-P energy: -78.008
bonds (distance) P-C4' energy: -111.944
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -82.141
tors. eta vs tors. theta energy: -162.278
Dist. restrs. and SS energy: 25.201 (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: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2781.187994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.187994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.996030 (E_RNA)
where:
Base-Base interactions energy: -1962.137
where: short stacking energy: -812.277
Base-Backbone interact. energy: -2.660
local terms energy: -823.199178
where:
bonds (distance) C4'-P energy: -147.018
bonds (distance) P-C4' energy: -137.279
flat angles C4'-P-C4' energy: -171.771
flat angles P-C4'-P energy: -115.286
tors. eta vs tors. theta energy: -251.845
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: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2701.133662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.133662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.969073 (E_RNA)
where:
Base-Base interactions energy: -1901.242
where: short stacking energy: -773.039
Base-Backbone interact. energy: -0.416
local terms energy: -806.311086
where:
bonds (distance) C4'-P energy: -135.857
bonds (distance) P-C4' energy: -145.280
flat angles C4'-P-C4' energy: -163.387
flat angles P-C4'-P energy: -121.087
tors. eta vs tors. theta energy: -240.700
Dist. restrs. and SS energy: 6.835 (S_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: 339
Temperature: 1.000000
Total energy: -2650.714912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.714912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.199779 (E_RNA)
where:
Base-Base interactions energy: -1870.404
where: short stacking energy: -776.271
Base-Backbone interact. energy: -0.598
local terms energy: -790.197497
where:
bonds (distance) C4'-P energy: -130.332
bonds (distance) P-C4' energy: -140.060
flat angles C4'-P-C4' energy: -163.513
flat angles P-C4'-P energy: -114.452
tors. eta vs tors. theta energy: -241.840
Dist. restrs. and SS energy: 10.485 (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: 339
Temperature: 1.050000
Total energy: -2581.068343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.068343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.834200 (E_RNA)
where:
Base-Base interactions energy: -1838.078
where: short stacking energy: -737.547
Base-Backbone interact. energy: -1.395
local terms energy: -749.360632
where:
bonds (distance) C4'-P energy: -130.612
bonds (distance) P-C4' energy: -136.894
flat angles C4'-P-C4' energy: -155.377
flat angles P-C4'-P energy: -96.245
tors. eta vs tors. theta energy: -230.234
Dist. restrs. and SS energy: 7.766 (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: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2495.203870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.203870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.606727 (E_RNA)
where:
Base-Base interactions energy: -1770.366
where: short stacking energy: -718.161
Base-Backbone interact. energy: -3.841
local terms energy: -724.399725
where:
bonds (distance) C4'-P energy: -129.276
bonds (distance) P-C4' energy: -121.609
flat angles C4'-P-C4' energy: -157.748
flat angles P-C4'-P energy: -89.308
tors. eta vs tors. theta energy: -226.459
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2435.143398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.465773 (E_RNA)
where:
Base-Base interactions energy: -1747.828
where: short stacking energy: -709.852
Base-Backbone interact. energy: 0.251
local terms energy: -692.888668
where:
bonds (distance) C4'-P energy: -119.531
bonds (distance) P-C4' energy: -106.807
flat angles C4'-P-C4' energy: -145.292
flat angles P-C4'-P energy: -100.828
tors. eta vs tors. theta energy: -220.431
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2214.288784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.921893 (E_RNA)
where:
Base-Base interactions energy: -1592.015
where: short stacking energy: -656.610
Base-Backbone interact. energy: 4.468
local terms energy: -640.374142
where:
bonds (distance) C4'-P energy: -108.992
bonds (distance) P-C4' energy: -110.927
flat angles C4'-P-C4' energy: -141.609
flat angles P-C4'-P energy: -85.616
tors. eta vs tors. theta energy: -193.229
Dist. restrs. and SS energy: 13.633 (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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2247.306046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.306046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.773867 (E_RNA)
where:
Base-Base interactions energy: -1605.721
where: short stacking energy: -659.302
Base-Backbone interact. energy: -1.216
local terms energy: -649.836049
where:
bonds (distance) C4'-P energy: -114.752
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -143.929
flat angles P-C4'-P energy: -80.136
tors. eta vs tors. theta energy: -195.538
Dist. restrs. and SS energy: 9.468 (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: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -2031.322466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.017126 (E_RNA)
where:
Base-Base interactions energy: -1456.312
where: short stacking energy: -579.883
Base-Backbone interact. energy: -2.356
local terms energy: -593.349395
where:
bonds (distance) C4'-P energy: -88.981
bonds (distance) P-C4' energy: -120.933
flat angles C4'-P-C4' energy: -143.737
flat angles P-C4'-P energy: -67.099
tors. eta vs tors. theta energy: -172.599
Dist. restrs. and SS energy: 20.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1964.074377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.074377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.402199 (E_RNA)
where:
Base-Base interactions energy: -1405.221
where: short stacking energy: -572.857
Base-Backbone interact. energy: 6.686
local terms energy: -584.866555
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -121.022
flat angles P-C4'-P energy: -79.810
tors. eta vs tors. theta energy: -176.827
Dist. restrs. and SS energy: 19.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2764.869675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.869675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.842712 (E_RNA)
where:
Base-Base interactions energy: -1944.892
where: short stacking energy: -807.139
Base-Backbone interact. energy: -2.278
local terms energy: -825.673290
where:
bonds (distance) C4'-P energy: -137.461
bonds (distance) P-C4' energy: -143.737
flat angles C4'-P-C4' energy: -167.551
flat angles P-C4'-P energy: -117.435
tors. eta vs tors. theta energy: -259.490
Dist. restrs. and SS energy: 7.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2709.706660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.706660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.586618 (E_RNA)
where:
Base-Base interactions energy: -1942.012
where: short stacking energy: -768.201
Base-Backbone interact. energy: -1.999
local terms energy: -770.575150
where:
bonds (distance) C4'-P energy: -122.912
bonds (distance) P-C4' energy: -126.101
flat angles C4'-P-C4' energy: -165.258
flat angles P-C4'-P energy: -115.852
tors. eta vs tors. theta energy: -240.452
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: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2649.535024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.535024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.598291 (E_RNA)
where:
Base-Base interactions energy: -1858.444
where: short stacking energy: -759.798
Base-Backbone interact. energy: 4.107
local terms energy: -802.261873
where:
bonds (distance) C4'-P energy: -141.101
bonds (distance) P-C4' energy: -139.699
flat angles C4'-P-C4' energy: -160.398
flat angles P-C4'-P energy: -116.127
tors. eta vs tors. theta energy: -244.937
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: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2580.808954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.808954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.839815 (E_RNA)
where:
Base-Base interactions energy: -1841.479
where: short stacking energy: -744.478
Base-Backbone interact. energy: -0.352
local terms energy: -744.009327
where:
bonds (distance) C4'-P energy: -131.855
bonds (distance) P-C4' energy: -122.989
flat angles C4'-P-C4' energy: -161.137
flat angles P-C4'-P energy: -99.485
tors. eta vs tors. theta energy: -228.544
Dist. restrs. and SS energy: 5.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2488.657838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.657838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.278756 (E_RNA)
where:
Base-Base interactions energy: -1766.738
where: short stacking energy: -733.162
Base-Backbone interact. energy: -2.341
local terms energy: -729.200246
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -149.467
flat angles P-C4'-P energy: -99.799
tors. eta vs tors. theta energy: -230.305
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2412.548633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.548633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.172352 (E_RNA)
where:
Base-Base interactions energy: -1708.957
where: short stacking energy: -701.271
Base-Backbone interact. energy: 0.743
local terms energy: -710.958460
where:
bonds (distance) C4'-P energy: -118.463
bonds (distance) P-C4' energy: -120.273
flat angles C4'-P-C4' energy: -147.344
flat angles P-C4'-P energy: -102.639
tors. eta vs tors. theta energy: -222.239
Dist. restrs. and SS energy: 6.624 (S_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: 340
Temperature: 1.200000
Total energy: -2274.636316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.636316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.223601 (E_RNA)
where:
Base-Base interactions energy: -1606.121
where: short stacking energy: -628.091
Base-Backbone interact. energy: -2.366
local terms energy: -674.736768
where:
bonds (distance) C4'-P energy: -120.545
bonds (distance) P-C4' energy: -123.078
flat angles C4'-P-C4' energy: -152.618
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -201.636
Dist. restrs. and SS energy: 8.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2254.120558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.120558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.142379 (E_RNA)
where:
Base-Base interactions energy: -1603.771
where: short stacking energy: -633.261
Base-Backbone interact. energy: 0.330
local terms energy: -654.701156
where:
bonds (distance) C4'-P energy: -112.694
bonds (distance) P-C4' energy: -116.192
flat angles C4'-P-C4' energy: -140.831
flat angles P-C4'-P energy: -89.521
tors. eta vs tors. theta energy: -195.464
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -2030.776935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.954787 (E_RNA)
where:
Base-Base interactions energy: -1452.221
where: short stacking energy: -583.911
Base-Backbone interact. energy: 1.772
local terms energy: -601.505417
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -92.647
flat angles C4'-P-C4' energy: -136.972
flat angles P-C4'-P energy: -90.998
tors. eta vs tors. theta energy: -177.464
Dist. restrs. and SS energy: 21.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -2042.108642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.108642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.925186 (E_RNA)
where:
Base-Base interactions energy: -1448.516
where: short stacking energy: -596.948
Base-Backbone interact. energy: -2.675
local terms energy: -614.734473
where:
bonds (distance) C4'-P energy: -130.959
bonds (distance) P-C4' energy: -92.623
flat angles C4'-P-C4' energy: -136.977
flat angles P-C4'-P energy: -92.723
tors. eta vs tors. theta energy: -161.453
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: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2775.574775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.574775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.439028 (E_RNA)
where:
Base-Base interactions energy: -1955.967
where: short stacking energy: -807.264
Base-Backbone interact. energy: -2.515
local terms energy: -824.957297
where:
bonds (distance) C4'-P energy: -140.121
bonds (distance) P-C4' energy: -139.164
flat angles C4'-P-C4' energy: -166.212
flat angles P-C4'-P energy: -120.851
tors. eta vs tors. theta energy: -258.609
Dist. restrs. and SS energy: 7.864 (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: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2730.197489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.197489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.540315 (E_RNA)
where:
Base-Base interactions energy: -1923.711
where: short stacking energy: -771.009
Base-Backbone interact. energy: -2.186
local terms energy: -811.643352
where:
bonds (distance) C4'-P energy: -139.495
bonds (distance) P-C4' energy: -151.529
flat angles C4'-P-C4' energy: -168.639
flat angles P-C4'-P energy: -110.514
tors. eta vs tors. theta energy: -241.466
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: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2683.133564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.133564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.181068 (E_RNA)
where:
Base-Base interactions energy: -1905.281
where: short stacking energy: -756.665
Base-Backbone interact. energy: 0.588
local terms energy: -785.487876
where:
bonds (distance) C4'-P energy: -147.843
bonds (distance) P-C4' energy: -132.597
flat angles C4'-P-C4' energy: -156.550
flat angles P-C4'-P energy: -104.422
tors. eta vs tors. theta energy: -244.075
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: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2544.707153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.707153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.266550 (E_RNA)
where:
Base-Base interactions energy: -1797.973
where: short stacking energy: -729.896
Base-Backbone interact. energy: 2.441
local terms energy: -756.733993
where:
bonds (distance) C4'-P energy: -131.158
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -114.666
tors. eta vs tors. theta energy: -232.102
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: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2464.707632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.707632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.564678 (E_RNA)
where:
Base-Base interactions energy: -1735.284
where: short stacking energy: -725.554
Base-Backbone interact. energy: -3.028
local terms energy: -739.252059
where:
bonds (distance) C4'-P energy: -134.229
bonds (distance) P-C4' energy: -135.235
flat angles C4'-P-C4' energy: -153.003
flat angles P-C4'-P energy: -88.920
tors. eta vs tors. theta energy: -227.865
Dist. restrs. and SS energy: 12.857 (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: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2432.071756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.071756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.695164 (E_RNA)
where:
Base-Base interactions energy: -1750.918
where: short stacking energy: -717.304
Base-Backbone interact. energy: -1.679
local terms energy: -686.098068
where:
bonds (distance) C4'-P energy: -95.119
bonds (distance) P-C4' energy: -121.425
flat angles C4'-P-C4' energy: -145.810
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -234.667
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: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2274.330914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.330914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.404369 (E_RNA)
where:
Base-Base interactions energy: -1608.340
where: short stacking energy: -650.216
Base-Backbone interact. energy: -3.523
local terms energy: -669.541407
where:
bonds (distance) C4'-P energy: -127.510
bonds (distance) P-C4' energy: -107.920
flat angles C4'-P-C4' energy: -146.971
flat angles P-C4'-P energy: -89.126
tors. eta vs tors. theta energy: -198.014
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2222.985616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.985616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.548100 (E_RNA)
where:
Base-Base interactions energy: -1573.149
where: short stacking energy: -642.054
Base-Backbone interact. energy: 0.035
local terms energy: -658.433706
where:
bonds (distance) C4'-P energy: -117.245
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -135.062
flat angles P-C4'-P energy: -96.035
tors. eta vs tors. theta energy: -191.932
Dist. restrs. and SS energy: 8.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -2106.180120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.180120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.299721 (E_RNA)
where:
Base-Base interactions energy: -1503.250
where: short stacking energy: -590.840
Base-Backbone interact. energy: 0.214
local terms energy: -617.263402
where:
bonds (distance) C4'-P energy: -101.452
bonds (distance) P-C4' energy: -117.988
flat angles C4'-P-C4' energy: -130.839
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -185.077
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: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1992.572704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.572704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.630183 (E_RNA)
where:
Base-Base interactions energy: -1400.680
where: short stacking energy: -541.177
Base-Backbone interact. energy: -2.019
local terms energy: -603.931083
where:
bonds (distance) C4'-P energy: -122.730
bonds (distance) P-C4' energy: -106.105
flat angles C4'-P-C4' energy: -122.650
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -168.239
Dist. restrs. and SS energy: 14.057 (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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2754.690009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.690009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.606413 (E_RNA)
where:
Base-Base interactions energy: -1941.060
where: short stacking energy: -772.732
Base-Backbone interact. energy: -2.989
local terms energy: -818.556625
where:
bonds (distance) C4'-P energy: -118.883
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -166.899
flat angles P-C4'-P energy: -134.004
tors. eta vs tors. theta energy: -252.943
Dist. restrs. and SS energy: 7.916 (S_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: 342
Temperature: 0.950000
Total energy: -2685.013103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.013103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.531187 (E_RNA)
where:
Base-Base interactions energy: -1896.526
where: short stacking energy: -767.173
Base-Backbone interact. energy: -1.638
local terms energy: -794.367488
where:
bonds (distance) C4'-P energy: -134.781
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -169.603
flat angles P-C4'-P energy: -111.746
tors. eta vs tors. theta energy: -238.926
Dist. restrs. and SS energy: 7.518 (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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2617.400486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.400486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.687716 (E_RNA)
where:
Base-Base interactions energy: -1837.118
where: short stacking energy: -755.075
Base-Backbone interact. energy: -2.076
local terms energy: -787.493487
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -150.045
flat angles C4'-P-C4' energy: -158.437
flat angles P-C4'-P energy: -116.343
tors. eta vs tors. theta energy: -243.399
Dist. restrs. and SS energy: 9.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2565.994528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.994528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.251299 (E_RNA)
where:
Base-Base interactions energy: -1821.532
where: short stacking energy: -736.423
Base-Backbone interact. energy: -1.321
local terms energy: -752.398488
where:
bonds (distance) C4'-P energy: -121.699
bonds (distance) P-C4' energy: -136.716
flat angles C4'-P-C4' energy: -158.780
flat angles P-C4'-P energy: -105.020
tors. eta vs tors. theta energy: -230.183
Dist. restrs. and SS energy: 9.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2465.203756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.203756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.871016 (E_RNA)
where:
Base-Base interactions energy: -1748.289
where: short stacking energy: -724.290
Base-Backbone interact. energy: -1.401
local terms energy: -722.180230
where:
bonds (distance) C4'-P energy: -134.579
bonds (distance) P-C4' energy: -116.370
flat angles C4'-P-C4' energy: -144.625
flat angles P-C4'-P energy: -109.062
tors. eta vs tors. theta energy: -217.544
Dist. restrs. and SS energy: 6.667 (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: 342
Temperature: 1.150000
Total energy: -2374.917764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.917764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.456839 (E_RNA)
where:
Base-Base interactions energy: -1678.023
where: short stacking energy: -666.696
Base-Backbone interact. energy: 0.815
local terms energy: -702.249142
where:
bonds (distance) C4'-P energy: -129.643
bonds (distance) P-C4' energy: -120.843
flat angles C4'-P-C4' energy: -157.235
flat angles P-C4'-P energy: -87.104
tors. eta vs tors. theta energy: -207.423
Dist. restrs. and SS energy: 4.539 (S_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: 342
Temperature: 1.200000
Total energy: -2290.142924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.142924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.402569 (E_RNA)
where:
Base-Base interactions energy: -1623.117
where: short stacking energy: -645.422
Base-Backbone interact. energy: -2.378
local terms energy: -670.908210
where:
bonds (distance) C4'-P energy: -108.098
bonds (distance) P-C4' energy: -120.643
flat angles C4'-P-C4' energy: -150.793
flat angles P-C4'-P energy: -92.541
tors. eta vs tors. theta energy: -198.834
Dist. restrs. and SS energy: 6.260 (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: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2199.380958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.380958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.061261 (E_RNA)
where:
Base-Base interactions energy: -1572.652
where: short stacking energy: -641.946
Base-Backbone interact. energy: -0.949
local terms energy: -638.460382
where:
bonds (distance) C4'-P energy: -121.135
bonds (distance) P-C4' energy: -114.098
flat angles C4'-P-C4' energy: -129.430
flat angles P-C4'-P energy: -93.187
tors. eta vs tors. theta energy: -180.610
Dist. restrs. and SS energy: 12.680 (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: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -2048.509817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.509817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.869793 (E_RNA)
where:
Base-Base interactions energy: -1441.311
where: short stacking energy: -593.320
Base-Backbone interact. energy: -3.305
local terms energy: -625.254085
where:
bonds (distance) C4'-P energy: -123.071
bonds (distance) P-C4' energy: -88.979
flat angles C4'-P-C4' energy: -149.467
flat angles P-C4'-P energy: -75.640
tors. eta vs tors. theta energy: -188.097
Dist. restrs. and SS energy: 21.360 (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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1947.193828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.193828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.407536 (E_RNA)
where:
Base-Base interactions energy: -1412.260
where: short stacking energy: -554.853
Base-Backbone interact. energy: 0.732
local terms energy: -563.878662
where:
bonds (distance) C4'-P energy: -98.242
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -125.949
flat angles P-C4'-P energy: -77.927
tors. eta vs tors. theta energy: -158.045
Dist. restrs. and SS energy: 28.214 (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: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2764.320036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.320036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.108988 (E_RNA)
where:
Base-Base interactions energy: -1951.662
where: short stacking energy: -801.761
Base-Backbone interact. energy: -2.740
local terms energy: -819.706240
where:
bonds (distance) C4'-P energy: -145.629
bonds (distance) P-C4' energy: -134.615
flat angles C4'-P-C4' energy: -163.785
flat angles P-C4'-P energy: -128.842
tors. eta vs tors. theta energy: -246.835
Dist. restrs. and SS energy: 9.789 (S_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: 343
Temperature: 0.950000
Total energy: -2712.465366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.465366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.192188 (E_RNA)
where:
Base-Base interactions energy: -1941.787
where: short stacking energy: -788.872
Base-Backbone interact. energy: -2.034
local terms energy: -776.370673
where:
bonds (distance) C4'-P energy: -120.195
bonds (distance) P-C4' energy: -126.107
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -121.881
tors. eta vs tors. theta energy: -247.753
Dist. restrs. and SS energy: 7.727 (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: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2641.684365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.684365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.774198 (E_RNA)
where:
Base-Base interactions energy: -1881.711
where: short stacking energy: -778.180
Base-Backbone interact. energy: -4.901
local terms energy: -765.162084
where:
bonds (distance) C4'-P energy: -125.233
bonds (distance) P-C4' energy: -132.815
flat angles C4'-P-C4' energy: -161.373
flat angles P-C4'-P energy: -96.079
tors. eta vs tors. theta energy: -249.662
Dist. restrs. and SS energy: 10.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2560.087754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.087754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.784165 (E_RNA)
where:
Base-Base interactions energy: -1830.060
where: short stacking energy: -731.337
Base-Backbone interact. energy: -2.411
local terms energy: -735.313463
where:
bonds (distance) C4'-P energy: -120.930
bonds (distance) P-C4' energy: -133.532
flat angles C4'-P-C4' energy: -153.130
flat angles P-C4'-P energy: -104.135
tors. eta vs tors. theta energy: -223.586
Dist. restrs. and SS energy: 7.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2465.060691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.060691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.079824 (E_RNA)
where:
Base-Base interactions energy: -1748.942
where: short stacking energy: -740.464
Base-Backbone interact. energy: -1.618
local terms energy: -723.519814
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -124.519
flat angles C4'-P-C4' energy: -159.718
flat angles P-C4'-P energy: -90.142
tors. eta vs tors. theta energy: -226.454
Dist. restrs. and SS energy: 9.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2386.176915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.176915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.370390 (E_RNA)
where:
Base-Base interactions energy: -1708.723
where: short stacking energy: -700.260
Base-Backbone interact. energy: -2.121
local terms energy: -679.525851
where:
bonds (distance) C4'-P energy: -112.533
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -135.118
flat angles P-C4'-P energy: -110.098
tors. eta vs tors. theta energy: -207.315
Dist. restrs. and SS energy: 4.193 (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: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2267.949369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.949369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.000617 (E_RNA)
where:
Base-Base interactions energy: -1611.541
where: short stacking energy: -654.714
Base-Backbone interact. energy: 2.427
local terms energy: -667.887114
where:
bonds (distance) C4'-P energy: -112.380
bonds (distance) P-C4' energy: -105.396
flat angles C4'-P-C4' energy: -151.193
flat angles P-C4'-P energy: -100.352
tors. eta vs tors. theta energy: -198.567
Dist. restrs. and SS energy: 9.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2133.817591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.817591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.732576 (E_RNA)
where:
Base-Base interactions energy: -1506.753
where: short stacking energy: -631.416
Base-Backbone interact. energy: -1.187
local terms energy: -634.792771
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -104.882
flat angles C4'-P-C4' energy: -140.865
flat angles P-C4'-P energy: -74.848
tors. eta vs tors. theta energy: -193.848
Dist. restrs. and SS energy: 8.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -2070.707596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.707596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.663170 (E_RNA)
where:
Base-Base interactions energy: -1490.978
where: short stacking energy: -596.034
Base-Backbone interact. energy: 0.271
local terms energy: -594.955563
where:
bonds (distance) C4'-P energy: -99.063
bonds (distance) P-C4' energy: -87.269
flat angles C4'-P-C4' energy: -142.097
flat angles P-C4'-P energy: -87.198
tors. eta vs tors. theta energy: -179.329
Dist. restrs. and SS energy: 14.956 (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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1971.805550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.805550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.855653 (E_RNA)
where:
Base-Base interactions energy: -1416.059
where: short stacking energy: -568.109
Base-Backbone interact. energy: 1.226
local terms energy: -586.023398
where:
bonds (distance) C4'-P energy: -107.051
bonds (distance) P-C4' energy: -105.414
flat angles C4'-P-C4' energy: -137.566
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -162.364
Dist. restrs. and SS energy: 29.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2761.351413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.351413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.458392 (E_RNA)
where:
Base-Base interactions energy: -1942.547
where: short stacking energy: -788.447
Base-Backbone interact. energy: -3.772
local terms energy: -822.140227
where:
bonds (distance) C4'-P energy: -154.956
bonds (distance) P-C4' energy: -135.552
flat angles C4'-P-C4' energy: -158.374
flat angles P-C4'-P energy: -118.770
tors. eta vs tors. theta energy: -254.489
Dist. restrs. and SS energy: 7.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2714.666611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.666611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.059452 (E_RNA)
where:
Base-Base interactions energy: -1913.705
where: short stacking energy: -770.587
Base-Backbone interact. energy: -1.281
local terms energy: -807.073226
where:
bonds (distance) C4'-P energy: -138.118
bonds (distance) P-C4' energy: -133.409
flat angles C4'-P-C4' energy: -176.579
flat angles P-C4'-P energy: -116.524
tors. eta vs tors. theta energy: -242.442
Dist. restrs. and SS energy: 7.393 (S_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: 344
Temperature: 1.000000
Total energy: -2672.599478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.599478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.110171 (E_RNA)
where:
Base-Base interactions energy: -1888.573
where: short stacking energy: -781.580
Base-Backbone interact. energy: -1.182
local terms energy: -789.355019
where:
bonds (distance) C4'-P energy: -135.218
bonds (distance) P-C4' energy: -125.874
flat angles C4'-P-C4' energy: -156.918
flat angles P-C4'-P energy: -113.585
tors. eta vs tors. theta energy: -257.760
Dist. restrs. and SS energy: 6.511 (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: 344
Temperature: 1.050000
Total energy: -2574.125050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.125050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.637400 (E_RNA)
where:
Base-Base interactions energy: -1837.797
where: short stacking energy: -767.080
Base-Backbone interact. energy: -1.388
local terms energy: -743.452294
where:
bonds (distance) C4'-P energy: -113.482
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -150.099
flat angles P-C4'-P energy: -110.045
tors. eta vs tors. theta energy: -237.520
Dist. restrs. and SS energy: 8.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2484.750457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.750457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.772887 (E_RNA)
where:
Base-Base interactions energy: -1763.582
where: short stacking energy: -723.137
Base-Backbone interact. energy: 0.837
local terms energy: -728.028069
where:
bonds (distance) C4'-P energy: -126.815
bonds (distance) P-C4' energy: -121.145
flat angles C4'-P-C4' energy: -153.213
flat angles P-C4'-P energy: -111.523
tors. eta vs tors. theta energy: -215.331
Dist. restrs. and SS energy: 6.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2399.839628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.839628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.323179 (E_RNA)
where:
Base-Base interactions energy: -1694.644
where: short stacking energy: -688.031
Base-Backbone interact. energy: -0.935
local terms energy: -709.744568
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -136.318
flat angles C4'-P-C4' energy: -153.758
flat angles P-C4'-P energy: -79.829
tors. eta vs tors. theta energy: -218.371
Dist. restrs. and SS energy: 5.484 (S_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: -2265.822629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.822629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.766612 (E_RNA)
where:
Base-Base interactions energy: -1630.034
where: short stacking energy: -664.390
Base-Backbone interact. energy: -2.004
local terms energy: -643.727865
where:
bonds (distance) C4'-P energy: -124.049
bonds (distance) P-C4' energy: -110.937
flat angles C4'-P-C4' energy: -135.319
flat angles P-C4'-P energy: -73.010
tors. eta vs tors. theta energy: -200.413
Dist. restrs. and SS energy: 9.944 (S_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: -2178.568822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.568822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.336702 (E_RNA)
where:
Base-Base interactions energy: -1576.736
where: short stacking energy: -615.254
Base-Backbone interact. energy: 0.406
local terms energy: -612.006161
where:
bonds (distance) C4'-P energy: -113.920
bonds (distance) P-C4' energy: -115.607
flat angles C4'-P-C4' energy: -106.284
flat angles P-C4'-P energy: -84.695
tors. eta vs tors. theta energy: -191.500
Dist. restrs. and SS energy: 9.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -2040.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.562532 (E_RNA)
where:
Base-Base interactions energy: -1465.066
where: short stacking energy: -580.016
Base-Backbone interact. energy: -2.768
local terms energy: -592.727981
where:
bonds (distance) C4'-P energy: -100.162
bonds (distance) P-C4' energy: -101.636
flat angles C4'-P-C4' energy: -143.706
flat angles P-C4'-P energy: -87.017
tors. eta vs tors. theta energy: -160.207
Dist. restrs. and SS energy: 19.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -2012.168164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.168164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.718234 (E_RNA)
where:
Base-Base interactions energy: -1460.469
where: short stacking energy: -562.377
Base-Backbone interact. energy: -0.206
local terms energy: -576.042631
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -122.422
flat angles C4'-P-C4' energy: -134.526
flat angles P-C4'-P energy: -57.278
tors. eta vs tors. theta energy: -171.879
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: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2742.482075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.511265 (E_RNA)
where:
Base-Base interactions energy: -1929.259
where: short stacking energy: -800.356
Base-Backbone interact. energy: -0.618
local terms energy: -821.634101
where:
bonds (distance) C4'-P energy: -143.972
bonds (distance) P-C4' energy: -149.628
flat angles C4'-P-C4' energy: -156.451
flat angles P-C4'-P energy: -122.159
tors. eta vs tors. theta energy: -249.424
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: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2745.473901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.473901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.364525 (E_RNA)
where:
Base-Base interactions energy: -1939.948
where: short stacking energy: -803.196
Base-Backbone interact. energy: -2.669
local terms energy: -809.747547
where:
bonds (distance) C4'-P energy: -134.899
bonds (distance) P-C4' energy: -134.865
flat angles C4'-P-C4' energy: -168.257
flat angles P-C4'-P energy: -124.372
tors. eta vs tors. theta energy: -247.354
Dist. restrs. and SS energy: 6.891 (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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2647.878355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.878355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.431977 (E_RNA)
where:
Base-Base interactions energy: -1881.846
where: short stacking energy: -766.087
Base-Backbone interact. energy: -3.501
local terms energy: -771.084425
where:
bonds (distance) C4'-P energy: -135.135
bonds (distance) P-C4' energy: -128.085
flat angles C4'-P-C4' energy: -162.548
flat angles P-C4'-P energy: -109.586
tors. eta vs tors. theta energy: -235.732
Dist. restrs. and SS energy: 8.554 (S_DIST_RNA)
chem. 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: -2582.714927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.714927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.786791 (E_RNA)
where:
Base-Base interactions energy: -1838.724
where: short stacking energy: -752.415
Base-Backbone interact. energy: -2.509
local terms energy: -749.554106
where:
bonds (distance) C4'-P energy: -121.379
bonds (distance) P-C4' energy: -137.455
flat angles C4'-P-C4' energy: -165.904
flat angles P-C4'-P energy: -93.216
tors. eta vs tors. theta energy: -231.601
Dist. restrs. and SS energy: 8.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2489.541216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.541216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.782876 (E_RNA)
where:
Base-Base interactions energy: -1743.126
where: short stacking energy: -729.905
Base-Backbone interact. energy: 0.617
local terms energy: -754.274270
where:
bonds (distance) C4'-P energy: -135.795
bonds (distance) P-C4' energy: -124.523
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -113.877
tors. eta vs tors. theta energy: -225.476
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: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2431.916779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.916779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.882079 (E_RNA)
where:
Base-Base interactions energy: -1750.139
where: short stacking energy: -703.714
Base-Backbone interact. energy: -2.241
local terms energy: -684.502763
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -116.259
flat angles C4'-P-C4' energy: -152.888
flat angles P-C4'-P energy: -86.814
tors. eta vs tors. theta energy: -214.186
Dist. restrs. and SS energy: 4.965 (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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2277.879358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.879358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.033020 (E_RNA)
where:
Base-Base interactions energy: -1646.741
where: short stacking energy: -660.444
Base-Backbone interact. energy: -0.233
local terms energy: -640.058166
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -93.402
flat angles C4'-P-C4' energy: -147.198
flat angles P-C4'-P energy: -103.500
tors. eta vs tors. theta energy: -193.715
Dist. restrs. and SS energy: 9.154 (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: 345
Temperature: 1.250000
Total energy: -2188.230482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.230482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.863252 (E_RNA)
where:
Base-Base interactions energy: -1565.751
where: short stacking energy: -622.388
Base-Backbone interact. energy: -2.935
local terms energy: -642.177036
where:
bonds (distance) C4'-P energy: -101.941
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -140.246
flat angles P-C4'-P energy: -94.226
tors. eta vs tors. theta energy: -186.467
Dist. restrs. and SS energy: 22.633 (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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -2064.572447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.572447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.880764 (E_RNA)
where:
Base-Base interactions energy: -1465.869
where: short stacking energy: -601.602
Base-Backbone interact. energy: -2.019
local terms energy: -619.992360
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -103.547
flat angles C4'-P-C4' energy: -131.348
flat angles P-C4'-P energy: -93.684
tors. eta vs tors. theta energy: -183.727
Dist. restrs. and SS energy: 23.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1955.552174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.552174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.239971 (E_RNA)
where:
Base-Base interactions energy: -1393.791
where: short stacking energy: -545.553
Base-Backbone interact. energy: 4.404
local terms energy: -594.853470
where:
bonds (distance) C4'-P energy: -96.806
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -125.500
flat angles P-C4'-P energy: -80.540
tors. eta vs tors. theta energy: -174.253
Dist. restrs. and SS energy: 28.688 (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: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2764.492242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.492242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.726332 (E_RNA)
where:
Base-Base interactions energy: -1954.495
where: short stacking energy: -800.587
Base-Backbone interact. energy: -0.701
local terms energy: -818.531044
where:
bonds (distance) C4'-P energy: -147.828
bonds (distance) P-C4' energy: -143.585
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -110.742
tors. eta vs tors. theta energy: -249.843
Dist. restrs. and SS energy: 9.234 (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: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2732.184252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.184252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.340338 (E_RNA)
where:
Base-Base interactions energy: -1927.748
where: short stacking energy: -789.077
Base-Backbone interact. energy: -2.191
local terms energy: -810.401240
where:
bonds (distance) C4'-P energy: -137.198
bonds (distance) P-C4' energy: -133.782
flat angles C4'-P-C4' energy: -170.602
flat angles P-C4'-P energy: -115.303
tors. eta vs tors. theta energy: -253.516
Dist. restrs. and SS energy: 8.156 (S_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: 346
Temperature: 1.000000
Total energy: -2673.750526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.750526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.144469 (E_RNA)
where:
Base-Base interactions energy: -1886.012
where: short stacking energy: -774.351
Base-Backbone interact. energy: -0.298
local terms energy: -793.834778
where:
bonds (distance) C4'-P energy: -134.654
bonds (distance) P-C4' energy: -135.999
flat angles C4'-P-C4' energy: -175.834
flat angles P-C4'-P energy: -109.554
tors. eta vs tors. theta energy: -237.794
Dist. restrs. and SS energy: 6.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2575.422289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.422289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.230029 (E_RNA)
where:
Base-Base interactions energy: -1840.481
where: short stacking energy: -759.351
Base-Backbone interact. energy: -2.151
local terms energy: -744.598758
where:
bonds (distance) C4'-P energy: -120.011
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -149.436
flat angles P-C4'-P energy: -109.898
tors. eta vs tors. theta energy: -236.644
Dist. restrs. and SS energy: 11.808 (S_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: 346
Temperature: 1.100000
Total energy: -2467.141890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.141890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.442911 (E_RNA)
where:
Base-Base interactions energy: -1732.872
where: short stacking energy: -711.885
Base-Backbone interact. energy: 1.633
local terms energy: -738.203441
where:
bonds (distance) C4'-P energy: -139.205
bonds (distance) P-C4' energy: -139.337
flat angles C4'-P-C4' energy: -135.236
flat angles P-C4'-P energy: -95.471
tors. eta vs tors. theta energy: -228.955
Dist. restrs. and SS energy: 2.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2413.001986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.001986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.675940 (E_RNA)
where:
Base-Base interactions energy: -1719.895
where: short stacking energy: -692.062
Base-Backbone interact. energy: -3.256
local terms energy: -695.525242
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -122.302
flat angles C4'-P-C4' energy: -138.371
flat angles P-C4'-P energy: -95.834
tors. eta vs tors. theta energy: -216.511
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2284.411927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.411927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.412272 (E_RNA)
where:
Base-Base interactions energy: -1621.900
where: short stacking energy: -667.130
Base-Backbone interact. energy: -0.700
local terms energy: -675.812137
where:
bonds (distance) C4'-P energy: -121.999
bonds (distance) P-C4' energy: -126.700
flat angles C4'-P-C4' energy: -143.586
flat angles P-C4'-P energy: -87.475
tors. eta vs tors. theta energy: -196.052
Dist. restrs. and SS energy: 14.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2157.569529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.569529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.816385 (E_RNA)
where:
Base-Base interactions energy: -1550.182
where: short stacking energy: -614.103
Base-Backbone interact. energy: 5.542
local terms energy: -622.176572
where:
bonds (distance) C4'-P energy: -93.773
bonds (distance) P-C4' energy: -123.645
flat angles C4'-P-C4' energy: -135.768
flat angles P-C4'-P energy: -97.738
tors. eta vs tors. theta energy: -171.253
Dist. restrs. and SS energy: 9.247 (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: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2048.963661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.963661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.931108 (E_RNA)
where:
Base-Base interactions energy: -1434.590
where: short stacking energy: -584.706
Base-Backbone interact. energy: -2.497
local terms energy: -632.843777
where:
bonds (distance) C4'-P energy: -111.243
bonds (distance) P-C4' energy: -114.595
flat angles C4'-P-C4' energy: -145.429
flat angles P-C4'-P energy: -89.085
tors. eta vs tors. theta energy: -172.491
Dist. restrs. and SS energy: 20.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1921.828729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.828729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.775573 (E_RNA)
where:
Base-Base interactions energy: -1401.263
where: short stacking energy: -566.272
Base-Backbone interact. energy: 2.262
local terms energy: -544.774248
where:
bonds (distance) C4'-P energy: -97.207
bonds (distance) P-C4' energy: -106.129
flat angles C4'-P-C4' energy: -121.048
flat angles P-C4'-P energy: -58.930
tors. eta vs tors. theta energy: -161.459
Dist. restrs. and SS energy: 21.947 (S_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: 347
Temperature: 0.900000
Total energy: -2761.593181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.593181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.432249 (E_RNA)
where:
Base-Base interactions energy: -1942.735
where: short stacking energy: -804.998
Base-Backbone interact. energy: -1.628
local terms energy: -826.069018
where:
bonds (distance) C4'-P energy: -131.275
bonds (distance) P-C4' energy: -144.288
flat angles C4'-P-C4' energy: -167.076
flat angles P-C4'-P energy: -123.776
tors. eta vs tors. theta energy: -259.653
Dist. restrs. and SS energy: 8.839 (S_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: -2747.857306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.857306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.245400 (E_RNA)
where:
Base-Base interactions energy: -1953.474
where: short stacking energy: -810.175
Base-Backbone interact. energy: 1.652
local terms energy: -803.422738
where:
bonds (distance) C4'-P energy: -132.061
bonds (distance) P-C4' energy: -138.607
flat angles C4'-P-C4' energy: -163.546
flat angles P-C4'-P energy: -114.436
tors. eta vs tors. theta energy: -254.773
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: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2669.836741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.836741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.150244 (E_RNA)
where:
Base-Base interactions energy: -1889.675
where: short stacking energy: -775.922
Base-Backbone interact. energy: -2.446
local terms energy: -784.029171
where:
bonds (distance) C4'-P energy: -138.578
bonds (distance) P-C4' energy: -146.350
flat angles C4'-P-C4' energy: -160.273
flat angles P-C4'-P energy: -95.432
tors. eta vs tors. theta energy: -243.397
Dist. restrs. and SS energy: 6.314 (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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2575.491095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.491095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.279574 (E_RNA)
where:
Base-Base interactions energy: -1813.672
where: short stacking energy: -734.904
Base-Backbone interact. energy: 4.960
local terms energy: -777.567617
where:
bonds (distance) C4'-P energy: -124.857
bonds (distance) P-C4' energy: -138.639
flat angles C4'-P-C4' energy: -171.419
flat angles P-C4'-P energy: -100.703
tors. eta vs tors. theta energy: -241.949
Dist. restrs. and SS energy: 10.788 (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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2549.558461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.558461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.201051 (E_RNA)
where:
Base-Base interactions energy: -1807.908
where: short stacking energy: -736.017
Base-Backbone interact. energy: -1.660
local terms energy: -745.632990
where:
bonds (distance) C4'-P energy: -135.430
bonds (distance) P-C4' energy: -126.504
flat angles C4'-P-C4' energy: -141.224
flat angles P-C4'-P energy: -105.286
tors. eta vs tors. theta energy: -237.189
Dist. restrs. and SS energy: 5.643 (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: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2463.055425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.055425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.368666 (E_RNA)
where:
Base-Base interactions energy: -1750.412
where: short stacking energy: -727.293
Base-Backbone interact. energy: -2.327
local terms energy: -713.629959
where:
bonds (distance) C4'-P energy: -132.659
bonds (distance) P-C4' energy: -110.979
flat angles C4'-P-C4' energy: -151.230
flat angles P-C4'-P energy: -104.964
tors. eta vs tors. theta energy: -213.798
Dist. restrs. and SS energy: 3.313 (S_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: 347
Temperature: 1.200000
Total energy: -2273.380210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.380210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.830272 (E_RNA)
where:
Base-Base interactions energy: -1602.605
where: short stacking energy: -652.609
Base-Backbone interact. energy: -1.336
local terms energy: -678.889744
where:
bonds (distance) C4'-P energy: -115.875
bonds (distance) P-C4' energy: -137.213
flat angles C4'-P-C4' energy: -136.444
flat angles P-C4'-P energy: -91.669
tors. eta vs tors. theta energy: -197.688
Dist. restrs. and SS energy: 9.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2171.176666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.176666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.583301 (E_RNA)
where:
Base-Base interactions energy: -1587.360
where: short stacking energy: -642.870
Base-Backbone interact. energy: -1.981
local terms energy: -596.242505
where:
bonds (distance) C4'-P energy: -104.235
bonds (distance) P-C4' energy: -84.925
flat angles C4'-P-C4' energy: -123.898
flat angles P-C4'-P energy: -92.518
tors. eta vs tors. theta energy: -190.667
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: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2033.183676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.183676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.558025 (E_RNA)
where:
Base-Base interactions energy: -1403.109
where: short stacking energy: -576.853
Base-Backbone interact. energy: -1.091
local terms energy: -647.358100
where:
bonds (distance) C4'-P energy: -106.405
bonds (distance) P-C4' energy: -134.439
flat angles C4'-P-C4' energy: -141.891
flat angles P-C4'-P energy: -81.506
tors. eta vs tors. theta energy: -183.117
Dist. restrs. and SS energy: 18.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1915.714118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.714118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.386481 (E_RNA)
where:
Base-Base interactions energy: -1379.260
where: short stacking energy: -533.931
Base-Backbone interact. energy: -0.801
local terms energy: -560.326027
where:
bonds (distance) C4'-P energy: -109.900
bonds (distance) P-C4' energy: -105.983
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -66.971
tors. eta vs tors. theta energy: -152.022
Dist. restrs. and SS energy: 24.672 (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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2755.880002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.299305 (E_RNA)
where:
Base-Base interactions energy: -1944.128
where: short stacking energy: -774.809
Base-Backbone interact. energy: -2.103
local terms energy: -818.068831
where:
bonds (distance) C4'-P energy: -150.485
bonds (distance) P-C4' energy: -125.770
flat angles C4'-P-C4' energy: -171.952
flat angles P-C4'-P energy: -114.670
tors. eta vs tors. theta energy: -255.192
Dist. restrs. and SS energy: 8.419 (S_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: 348
Temperature: 0.950000
Total energy: -2716.054913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.054913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.691902 (E_RNA)
where:
Base-Base interactions energy: -1902.889
where: short stacking energy: -806.664
Base-Backbone interact. energy: -2.027
local terms energy: -818.776181
where:
bonds (distance) C4'-P energy: -137.725
bonds (distance) P-C4' energy: -149.987
flat angles C4'-P-C4' energy: -166.547
flat angles P-C4'-P energy: -112.100
tors. eta vs tors. theta energy: -252.417
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: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2637.493891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.493891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.697095 (E_RNA)
where:
Base-Base interactions energy: -1881.281
where: short stacking energy: -770.989
Base-Backbone interact. energy: -0.505
local terms energy: -763.911639
where:
bonds (distance) C4'-P energy: -126.194
bonds (distance) P-C4' energy: -123.351
flat angles C4'-P-C4' energy: -162.718
flat angles P-C4'-P energy: -108.295
tors. eta vs tors. theta energy: -243.354
Dist. restrs. and SS energy: 8.203 (S_DIST_RNA)
chem. 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: -2559.456342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.456342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.450398 (E_RNA)
where:
Base-Base interactions energy: -1799.770
where: short stacking energy: -754.036
Base-Backbone interact. energy: -0.547
local terms energy: -769.133548
where:
bonds (distance) C4'-P energy: -117.771
bonds (distance) P-C4' energy: -134.455
flat angles C4'-P-C4' energy: -161.467
flat angles P-C4'-P energy: -123.460
tors. eta vs tors. theta energy: -231.980
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: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2501.280145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.280145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.458089 (E_RNA)
where:
Base-Base interactions energy: -1763.984
where: short stacking energy: -723.973
Base-Backbone interact. energy: -1.670
local terms energy: -739.804038
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -143.312
flat angles C4'-P-C4' energy: -161.448
flat angles P-C4'-P energy: -101.981
tors. eta vs tors. theta energy: -226.143
Dist. restrs. and SS energy: 4.178 (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: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2489.595307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.595307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.432157 (E_RNA)
where:
Base-Base interactions energy: -1792.800
where: short stacking energy: -740.934
Base-Backbone interact. energy: -4.053
local terms energy: -698.578899
where:
bonds (distance) C4'-P energy: -108.275
bonds (distance) P-C4' energy: -115.559
flat angles C4'-P-C4' energy: -148.638
flat angles P-C4'-P energy: -101.638
tors. eta vs tors. theta energy: -224.469
Dist. restrs. and SS energy: 5.837 (S_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: -2200.871833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.640705 (E_RNA)
where:
Base-Base interactions energy: -1582.259
where: short stacking energy: -624.464
Base-Backbone interact. energy: -2.813
local terms energy: -626.568955
where:
bonds (distance) C4'-P energy: -114.859
bonds (distance) P-C4' energy: -98.703
flat angles C4'-P-C4' energy: -137.632
flat angles P-C4'-P energy: -92.602
tors. eta vs tors. theta energy: -182.773
Dist. restrs. and SS energy: 10.769 (S_DIST_RNA)
chem. 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: -2203.393972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.393972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.379040 (E_RNA)
where:
Base-Base interactions energy: -1559.274
where: short stacking energy: -627.582
Base-Backbone interact. energy: -0.921
local terms energy: -656.184254
where:
bonds (distance) C4'-P energy: -100.902
bonds (distance) P-C4' energy: -129.234
flat angles C4'-P-C4' energy: -135.176
flat angles P-C4'-P energy: -92.724
tors. eta vs tors. theta energy: -198.148
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: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -2040.841850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.841850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.029747 (E_RNA)
where:
Base-Base interactions energy: -1435.916
where: short stacking energy: -591.166
Base-Backbone interact. energy: -1.020
local terms energy: -620.093634
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -114.782
flat angles C4'-P-C4' energy: -132.038
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -171.597
Dist. restrs. and SS energy: 16.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1918.049710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.049710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.994306 (E_RNA)
where:
Base-Base interactions energy: -1361.944
where: short stacking energy: -563.752
Base-Backbone interact. energy: 1.211
local terms energy: -587.261441
where:
bonds (distance) C4'-P energy: -117.698
bonds (distance) P-C4' energy: -110.354
flat angles C4'-P-C4' energy: -129.483
flat angles P-C4'-P energy: -74.394
tors. eta vs tors. theta energy: -155.332
Dist. restrs. and SS energy: 29.945 (S_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: 349
Temperature: 0.900000
Total energy: -2781.342895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.342895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.615113 (E_RNA)
where:
Base-Base interactions energy: -1964.427
where: short stacking energy: -797.400
Base-Backbone interact. energy: -2.336
local terms energy: -820.851935
where:
bonds (distance) C4'-P energy: -136.952
bonds (distance) P-C4' energy: -136.246
flat angles C4'-P-C4' energy: -167.023
flat angles P-C4'-P energy: -122.826
tors. eta vs tors. theta energy: -257.805
Dist. restrs. and SS energy: 6.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2743.045803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.045803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.581268 (E_RNA)
where:
Base-Base interactions energy: -1938.879
where: short stacking energy: -818.609
Base-Backbone interact. energy: 1.536
local terms energy: -814.238237
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -133.668
flat angles C4'-P-C4' energy: -168.106
flat angles P-C4'-P energy: -128.614
tors. eta vs tors. theta energy: -252.759
Dist. restrs. and SS energy: 8.535 (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: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2643.667734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.667734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.947473 (E_RNA)
where:
Base-Base interactions energy: -1900.345
where: short stacking energy: -766.495
Base-Backbone interact. energy: -0.776
local terms energy: -749.826383
where:
bonds (distance) C4'-P energy: -111.748
bonds (distance) P-C4' energy: -127.404
flat angles C4'-P-C4' energy: -162.453
flat angles P-C4'-P energy: -108.363
tors. eta vs tors. theta energy: -239.858
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2573.197911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.197911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.337789 (E_RNA)
where:
Base-Base interactions energy: -1820.098
where: short stacking energy: -740.892
Base-Backbone interact. energy: -1.310
local terms energy: -760.930229
where:
bonds (distance) C4'-P energy: -131.050
bonds (distance) P-C4' energy: -131.788
flat angles C4'-P-C4' energy: -161.126
flat angles P-C4'-P energy: -107.297
tors. eta vs tors. theta energy: -229.668
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: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2504.487706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.487706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.778005 (E_RNA)
where:
Base-Base interactions energy: -1756.463
where: short stacking energy: -709.086
Base-Backbone interact. energy: -1.204
local terms energy: -755.110985
where:
bonds (distance) C4'-P energy: -132.318
bonds (distance) P-C4' energy: -133.422
flat angles C4'-P-C4' energy: -164.046
flat angles P-C4'-P energy: -108.253
tors. eta vs tors. theta energy: -217.073
Dist. restrs. and SS energy: 8.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2458.457525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.457525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.211751 (E_RNA)
where:
Base-Base interactions energy: -1754.617
where: short stacking energy: -709.164
Base-Backbone interact. energy: -1.521
local terms energy: -707.073368
where:
bonds (distance) C4'-P energy: -113.232
bonds (distance) P-C4' energy: -111.515
flat angles C4'-P-C4' energy: -156.541
flat angles P-C4'-P energy: -95.204
tors. eta vs tors. theta energy: -230.582
Dist. restrs. and SS energy: 4.754 (S_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: -2259.422875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.422875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.637562 (E_RNA)
where:
Base-Base interactions energy: -1591.031
where: short stacking energy: -626.764
Base-Backbone interact. energy: -3.074
local terms energy: -671.533218
where:
bonds (distance) C4'-P energy: -125.696
bonds (distance) P-C4' energy: -125.917
flat angles C4'-P-C4' energy: -138.022
flat angles P-C4'-P energy: -90.488
tors. eta vs tors. theta energy: -191.410
Dist. restrs. and SS energy: 6.215 (S_DIST_RNA)
chem. 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: -2187.011722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.011722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.348360 (E_RNA)
where:
Base-Base interactions energy: -1552.815
where: short stacking energy: -604.529
Base-Backbone interact. energy: -2.249
local terms energy: -646.284653
where:
bonds (distance) C4'-P energy: -121.633
bonds (distance) P-C4' energy: -110.100
flat angles C4'-P-C4' energy: -128.026
flat angles P-C4'-P energy: -97.130
tors. eta vs tors. theta energy: -189.395
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: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -2029.403559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.403559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.332829 (E_RNA)
where:
Base-Base interactions energy: -1458.165
where: short stacking energy: -586.327
Base-Backbone interact. energy: -0.231
local terms energy: -586.936762
where:
bonds (distance) C4'-P energy: -111.759
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -120.636
flat angles P-C4'-P energy: -75.821
tors. eta vs tors. theta energy: -175.646
Dist. restrs. and SS energy: 15.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1940.164554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.164554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.975540 (E_RNA)
where:
Base-Base interactions energy: -1397.277
where: short stacking energy: -558.194
Base-Backbone interact. energy: -1.077
local terms energy: -571.621110
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -102.471
flat angles C4'-P-C4' energy: -137.383
flat angles P-C4'-P energy: -91.941
tors. eta vs tors. theta energy: -153.182
Dist. restrs. and SS energy: 29.811 (S_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: 350
Temperature: 0.900000
Total energy: -2753.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.583828 (E_RNA)
where:
Base-Base interactions energy: -1969.442
where: short stacking energy: -814.599
Base-Backbone interact. energy: -2.830
local terms energy: -789.311883
where:
bonds (distance) C4'-P energy: -129.391
bonds (distance) P-C4' energy: -137.322
flat angles C4'-P-C4' energy: -165.180
flat angles P-C4'-P energy: -107.646
tors. eta vs tors. theta energy: -249.773
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: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2741.206034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.206034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.810309 (E_RNA)
where:
Base-Base interactions energy: -1965.643
where: short stacking energy: -811.486
Base-Backbone interact. energy: 0.820
local terms energy: -784.987420
where:
bonds (distance) C4'-P energy: -133.003
bonds (distance) P-C4' energy: -126.973
flat angles C4'-P-C4' energy: -162.148
flat angles P-C4'-P energy: -109.976
tors. eta vs tors. theta energy: -252.887
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2664.142628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.142628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.413473 (E_RNA)
where:
Base-Base interactions energy: -1900.224
where: short stacking energy: -760.938
Base-Backbone interact. energy: -3.282
local terms energy: -767.907247
where:
bonds (distance) C4'-P energy: -125.752
bonds (distance) P-C4' energy: -126.439
flat angles C4'-P-C4' energy: -161.314
flat angles P-C4'-P energy: -114.391
tors. eta vs tors. theta energy: -240.011
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: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2558.775324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.775324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.155921 (E_RNA)
where:
Base-Base interactions energy: -1796.566
where: short stacking energy: -752.760
Base-Backbone interact. energy: -1.353
local terms energy: -769.236725
where:
bonds (distance) C4'-P energy: -136.379
bonds (distance) P-C4' energy: -128.050
flat angles C4'-P-C4' energy: -155.020
flat angles P-C4'-P energy: -120.792
tors. eta vs tors. theta energy: -228.997
Dist. restrs. and SS energy: 8.381 (S_DIST_RNA)
chem. 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: -2534.609214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.609214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.001653 (E_RNA)
where:
Base-Base interactions energy: -1764.245
where: short stacking energy: -726.236
Base-Backbone interact. energy: -1.245
local terms energy: -778.512304
where:
bonds (distance) C4'-P energy: -138.355
bonds (distance) P-C4' energy: -127.016
flat angles C4'-P-C4' energy: -168.719
flat angles P-C4'-P energy: -114.182
tors. eta vs tors. theta energy: -230.241
Dist. restrs. and SS energy: 9.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2457.310566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.310566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.045953 (E_RNA)
where:
Base-Base interactions energy: -1750.621
where: short stacking energy: -712.714
Base-Backbone interact. energy: 0.026
local terms energy: -717.451585
where:
bonds (distance) C4'-P energy: -119.158
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -153.854
flat angles P-C4'-P energy: -98.276
tors. eta vs tors. theta energy: -229.600
Dist. restrs. and SS energy: 10.735 (S_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: -2296.699898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.699898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.162272 (E_RNA)
where:
Base-Base interactions energy: -1627.921
where: short stacking energy: -657.275
Base-Backbone interact. energy: -3.286
local terms energy: -679.955189
where:
bonds (distance) C4'-P energy: -114.926
bonds (distance) P-C4' energy: -108.318
flat angles C4'-P-C4' energy: -147.943
flat angles P-C4'-P energy: -99.826
tors. eta vs tors. theta energy: -208.943
Dist. restrs. and SS energy: 14.462 (S_DIST_RNA)
chem. 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: -2185.816271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.816271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.777447 (E_RNA)
where:
Base-Base interactions energy: -1563.487
where: short stacking energy: -605.819
Base-Backbone interact. energy: 5.537
local terms energy: -635.826954
where:
bonds (distance) C4'-P energy: -117.235
bonds (distance) P-C4' energy: -114.194
flat angles C4'-P-C4' energy: -132.641
flat angles P-C4'-P energy: -89.633
tors. eta vs tors. theta energy: -182.123
Dist. restrs. and SS energy: 7.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -2047.473676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.473676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.500554 (E_RNA)
where:
Base-Base interactions energy: -1468.967
where: short stacking energy: -597.688
Base-Backbone interact. energy: -0.374
local terms energy: -599.160238
where:
bonds (distance) C4'-P energy: -106.348
bonds (distance) P-C4' energy: -102.571
flat angles C4'-P-C4' energy: -124.730
flat angles P-C4'-P energy: -90.525
tors. eta vs tors. theta energy: -174.986
Dist. restrs. and SS energy: 21.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1915.310966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.310966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.986964 (E_RNA)
where:
Base-Base interactions energy: -1378.573
where: short stacking energy: -539.344
Base-Backbone interact. energy: -1.712
local terms energy: -559.701863
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -115.356
flat angles C4'-P-C4' energy: -121.866
flat angles P-C4'-P energy: -73.481
tors. eta vs tors. theta energy: -152.742
Dist. restrs. and SS energy: 24.676 (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: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2759.387614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.387614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.227907 (E_RNA)
where:
Base-Base interactions energy: -1940.961
where: short stacking energy: -811.356
Base-Backbone interact. energy: -2.774
local terms energy: -823.492364
where:
bonds (distance) C4'-P energy: -136.726
bonds (distance) P-C4' energy: -136.675
flat angles C4'-P-C4' energy: -174.313
flat angles P-C4'-P energy: -117.401
tors. eta vs tors. theta energy: -258.377
Dist. restrs. and SS energy: 7.840 (S_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: 351
Temperature: 0.950000
Total energy: -2720.829261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.829261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.248881 (E_RNA)
where:
Base-Base interactions energy: -1959.159
where: short stacking energy: -787.706
Base-Backbone interact. energy: 1.887
local terms energy: -771.976707
where:
bonds (distance) C4'-P energy: -134.892
bonds (distance) P-C4' energy: -131.534
flat angles C4'-P-C4' energy: -147.620
flat angles P-C4'-P energy: -105.598
tors. eta vs tors. theta energy: -252.332
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: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2649.861333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.861333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.902569 (E_RNA)
where:
Base-Base interactions energy: -1878.655
where: short stacking energy: -761.587
Base-Backbone interact. energy: -1.054
local terms energy: -778.193482
where:
bonds (distance) C4'-P energy: -134.228
bonds (distance) P-C4' energy: -132.658
flat angles C4'-P-C4' energy: -151.174
flat angles P-C4'-P energy: -117.288
tors. eta vs tors. theta energy: -242.844
Dist. restrs. and SS energy: 8.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2543.977459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.977459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.257693 (E_RNA)
where:
Base-Base interactions energy: -1777.181
where: short stacking energy: -721.760
Base-Backbone interact. energy: -0.381
local terms energy: -771.695692
where:
bonds (distance) C4'-P energy: -132.600
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -168.611
flat angles P-C4'-P energy: -105.469
tors. eta vs tors. theta energy: -229.019
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: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2493.514437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.514437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.959554 (E_RNA)
where:
Base-Base interactions energy: -1766.661
where: short stacking energy: -725.278
Base-Backbone interact. energy: -0.593
local terms energy: -732.705687
where:
bonds (distance) C4'-P energy: -146.307
bonds (distance) P-C4' energy: -128.343
flat angles C4'-P-C4' energy: -147.257
flat angles P-C4'-P energy: -93.002
tors. eta vs tors. theta energy: -217.797
Dist. restrs. and SS energy: 6.445 (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: 351
Temperature: 1.150000
Total energy: -2448.249818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.249818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.057328 (E_RNA)
where:
Base-Base interactions energy: -1754.161
where: short stacking energy: -704.478
Base-Backbone interact. energy: 4.771
local terms energy: -703.666819
where:
bonds (distance) C4'-P energy: -109.609
bonds (distance) P-C4' energy: -117.483
flat angles C4'-P-C4' energy: -147.301
flat angles P-C4'-P energy: -104.492
tors. eta vs tors. theta energy: -224.782
Dist. restrs. and SS energy: 4.808 (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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2294.277249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.277249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.285502 (E_RNA)
where:
Base-Base interactions energy: -1643.908
where: short stacking energy: -670.083
Base-Backbone interact. energy: -1.781
local terms energy: -658.596443
where:
bonds (distance) C4'-P energy: -98.930
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -136.767
flat angles P-C4'-P energy: -94.962
tors. eta vs tors. theta energy: -201.649
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: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2252.670936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.670936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.217829 (E_RNA)
where:
Base-Base interactions energy: -1640.844
where: short stacking energy: -663.726
Base-Backbone interact. energy: -0.384
local terms energy: -620.990062
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -117.153
flat angles C4'-P-C4' energy: -129.207
flat angles P-C4'-P energy: -89.716
tors. eta vs tors. theta energy: -197.573
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: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -2131.168637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.168637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.189613 (E_RNA)
where:
Base-Base interactions energy: -1524.340
where: short stacking energy: -613.300
Base-Backbone interact. energy: -0.690
local terms energy: -619.160094
where:
bonds (distance) C4'-P energy: -98.297
bonds (distance) P-C4' energy: -124.095
flat angles C4'-P-C4' energy: -137.399
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -179.980
Dist. restrs. and SS energy: 13.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1960.254924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.254924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.155108 (E_RNA)
where:
Base-Base interactions energy: -1420.785
where: short stacking energy: -581.839
Base-Backbone interact. energy: -1.737
local terms energy: -565.633054
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -95.268
flat angles C4'-P-C4' energy: -130.461
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -176.195
Dist. restrs. and SS energy: 27.900 (S_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: 352
Temperature: 0.900000
Total energy: -2767.587110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.587110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.697490 (E_RNA)
where:
Base-Base interactions energy: -1950.552
where: short stacking energy: -804.257
Base-Backbone interact. energy: -1.823
local terms energy: -824.322698
where:
bonds (distance) C4'-P energy: -136.131
bonds (distance) P-C4' energy: -149.094
flat angles C4'-P-C4' energy: -165.547
flat angles P-C4'-P energy: -117.238
tors. eta vs tors. theta energy: -256.312
Dist. restrs. and SS energy: 9.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2725.580841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.580841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.200380 (E_RNA)
where:
Base-Base interactions energy: -1931.192
where: short stacking energy: -814.989
Base-Backbone interact. energy: -4.044
local terms energy: -798.964403
where:
bonds (distance) C4'-P energy: -134.497
bonds (distance) P-C4' energy: -130.672
flat angles C4'-P-C4' energy: -167.009
flat angles P-C4'-P energy: -107.958
tors. eta vs tors. theta energy: -258.829
Dist. restrs. and SS energy: 8.620 (S_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: 352
Temperature: 1.000000
Total energy: -2656.249514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.249514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.637101 (E_RNA)
where:
Base-Base interactions energy: -1881.003
where: short stacking energy: -744.334
Base-Backbone interact. energy: -0.929
local terms energy: -781.705732
where:
bonds (distance) C4'-P energy: -127.245
bonds (distance) P-C4' energy: -145.808
flat angles C4'-P-C4' energy: -166.228
flat angles P-C4'-P energy: -105.843
tors. eta vs tors. theta energy: -236.581
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: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2560.143212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.143212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.657239 (E_RNA)
where:
Base-Base interactions energy: -1806.803
where: short stacking energy: -754.170
Base-Backbone interact. energy: -1.508
local terms energy: -755.346172
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -132.892
flat angles C4'-P-C4' energy: -143.841
flat angles P-C4'-P energy: -106.658
tors. eta vs tors. theta energy: -232.868
Dist. restrs. and SS energy: 3.514 (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: 352
Temperature: 1.100000
Total energy: -2537.498158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.498158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.323478 (E_RNA)
where:
Base-Base interactions energy: -1809.953
where: short stacking energy: -728.044
Base-Backbone interact. energy: -1.839
local terms energy: -730.530575
where:
bonds (distance) C4'-P energy: -122.456
bonds (distance) P-C4' energy: -127.649
flat angles C4'-P-C4' energy: -149.657
flat angles P-C4'-P energy: -107.724
tors. eta vs tors. theta energy: -223.044
Dist. restrs. and SS energy: 4.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2386.653741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.653741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.531456 (E_RNA)
where:
Base-Base interactions energy: -1694.051
where: short stacking energy: -707.601
Base-Backbone interact. energy: -2.556
local terms energy: -696.924616
where:
bonds (distance) C4'-P energy: -116.956
bonds (distance) P-C4' energy: -103.032
flat angles C4'-P-C4' energy: -159.698
flat angles P-C4'-P energy: -96.143
tors. eta vs tors. theta energy: -221.095
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2306.705303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.705303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.793878 (E_RNA)
where:
Base-Base interactions energy: -1641.892
where: short stacking energy: -652.742
Base-Backbone interact. energy: -2.160
local terms energy: -669.741065
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -115.837
flat angles C4'-P-C4' energy: -135.666
flat angles P-C4'-P energy: -107.123
tors. eta vs tors. theta energy: -196.584
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: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2180.826840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.826840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.962482 (E_RNA)
where:
Base-Base interactions energy: -1547.410
where: short stacking energy: -607.455
Base-Backbone interact. energy: -1.167
local terms energy: -657.386239
where:
bonds (distance) C4'-P energy: -120.361
bonds (distance) P-C4' energy: -116.151
flat angles C4'-P-C4' energy: -143.959
flat angles P-C4'-P energy: -84.248
tors. eta vs tors. theta energy: -192.667
Dist. restrs. and SS energy: 25.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1974.265291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.265291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.665353 (E_RNA)
where:
Base-Base interactions energy: -1420.896
where: short stacking energy: -568.812
Base-Backbone interact. energy: -3.300
local terms energy: -584.469682
where:
bonds (distance) C4'-P energy: -100.648
bonds (distance) P-C4' energy: -111.512
flat angles C4'-P-C4' energy: -115.918
flat angles P-C4'-P energy: -82.308
tors. eta vs tors. theta energy: -174.084
Dist. restrs. and SS energy: 34.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1986.621610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.621610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.967233 (E_RNA)
where:
Base-Base interactions energy: -1424.833
where: short stacking energy: -567.322
Base-Backbone interact. energy: -0.555
local terms energy: -584.578667
where:
bonds (distance) C4'-P energy: -92.311
bonds (distance) P-C4' energy: -121.790
flat angles C4'-P-C4' energy: -120.765
flat angles P-C4'-P energy: -79.266
tors. eta vs tors. theta energy: -170.447
Dist. restrs. and SS energy: 23.346 (S_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: 353
Temperature: 0.900000
Total energy: -2748.029195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.029195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.073016 (E_RNA)
where:
Base-Base interactions energy: -1951.869
where: short stacking energy: -807.631
Base-Backbone interact. energy: -2.081
local terms energy: -803.123084
where:
bonds (distance) C4'-P energy: -132.584
bonds (distance) P-C4' energy: -138.934
flat angles C4'-P-C4' energy: -164.097
flat angles P-C4'-P energy: -112.440
tors. eta vs tors. theta energy: -255.068
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: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2718.316216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.316216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.766931 (E_RNA)
where:
Base-Base interactions energy: -1943.135
where: short stacking energy: -826.511
Base-Backbone interact. energy: 1.050
local terms energy: -784.681543
where:
bonds (distance) C4'-P energy: -130.383
bonds (distance) P-C4' energy: -120.647
flat angles C4'-P-C4' energy: -161.517
flat angles P-C4'-P energy: -116.534
tors. eta vs tors. theta energy: -255.600
Dist. restrs. and SS energy: 8.451 (S_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: 353
Temperature: 1.000000
Total energy: -2636.605275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.605275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.416671 (E_RNA)
where:
Base-Base interactions energy: -1862.304
where: short stacking energy: -748.391
Base-Backbone interact. energy: 2.069
local terms energy: -782.181625
where:
bonds (distance) C4'-P energy: -142.290
bonds (distance) P-C4' energy: -140.109
flat angles C4'-P-C4' energy: -162.208
flat angles P-C4'-P energy: -102.258
tors. eta vs tors. theta energy: -235.317
Dist. restrs. and SS energy: 5.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2552.990990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.990990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.852358 (E_RNA)
where:
Base-Base interactions energy: -1812.866
where: short stacking energy: -748.834
Base-Backbone interact. energy: 1.118
local terms energy: -744.104473
where:
bonds (distance) C4'-P energy: -129.363
bonds (distance) P-C4' energy: -126.544
flat angles C4'-P-C4' energy: -161.430
flat angles P-C4'-P energy: -110.159
tors. eta vs tors. theta energy: -216.609
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2515.983748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.983748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.567724 (E_RNA)
where:
Base-Base interactions energy: -1780.978
where: short stacking energy: -744.404
Base-Backbone interact. energy: -3.124
local terms energy: -738.466087
where:
bonds (distance) C4'-P energy: -139.008
bonds (distance) P-C4' energy: -118.139
flat angles C4'-P-C4' energy: -145.786
flat angles P-C4'-P energy: -102.632
tors. eta vs tors. theta energy: -232.902
Dist. restrs. and SS energy: 6.584 (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: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2392.451323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.451323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.745310 (E_RNA)
where:
Base-Base interactions energy: -1723.174
where: short stacking energy: -690.649
Base-Backbone interact. energy: -2.609
local terms energy: -673.961855
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -115.854
flat angles C4'-P-C4' energy: -141.409
flat angles P-C4'-P energy: -90.927
tors. eta vs tors. theta energy: -219.322
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: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2308.417048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.417048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.925224 (E_RNA)
where:
Base-Base interactions energy: -1642.891
where: short stacking energy: -628.872
Base-Backbone interact. energy: -2.905
local terms energy: -673.129604
where:
bonds (distance) C4'-P energy: -127.938
bonds (distance) P-C4' energy: -128.177
flat angles C4'-P-C4' energy: -133.709
flat angles P-C4'-P energy: -86.242
tors. eta vs tors. theta energy: -197.064
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: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2255.590370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.590370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.163778 (E_RNA)
where:
Base-Base interactions energy: -1628.637
where: short stacking energy: -647.517
Base-Backbone interact. energy: 0.560
local terms energy: -639.086309
where:
bonds (distance) C4'-P energy: -113.783
bonds (distance) P-C4' energy: -106.412
flat angles C4'-P-C4' energy: -133.362
flat angles P-C4'-P energy: -96.518
tors. eta vs tors. theta energy: -189.011
Dist. restrs. and SS energy: 11.573 (S_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: 353
Temperature: 1.300000
Total energy: -1977.147541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.147541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.538619 (E_RNA)
where:
Base-Base interactions energy: -1430.632
where: short stacking energy: -571.269
Base-Backbone interact. energy: -3.913
local terms energy: -567.994275
where:
bonds (distance) C4'-P energy: -100.727
bonds (distance) P-C4' energy: -107.829
flat angles C4'-P-C4' energy: -122.126
flat angles P-C4'-P energy: -86.079
tors. eta vs tors. theta energy: -151.233
Dist. restrs. and SS energy: 25.391 (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: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -2009.122702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.122702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.824546 (E_RNA)
where:
Base-Base interactions energy: -1437.111
where: short stacking energy: -576.824
Base-Backbone interact. energy: 0.843
local terms energy: -592.556686
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -100.932
flat angles C4'-P-C4' energy: -134.693
flat angles P-C4'-P energy: -80.423
tors. eta vs tors. theta energy: -170.663
Dist. restrs. and SS energy: 19.702 (S_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: 354
Temperature: 0.900000
Total energy: -2759.862878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.862878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.123573 (E_RNA)
where:
Base-Base interactions energy: -1958.571
where: short stacking energy: -814.040
Base-Backbone interact. energy: -1.582
local terms energy: -806.971255
where:
bonds (distance) C4'-P energy: -130.630
bonds (distance) P-C4' energy: -155.189
flat angles C4'-P-C4' energy: -161.045
flat angles P-C4'-P energy: -108.169
tors. eta vs tors. theta energy: -251.939
Dist. restrs. and SS energy: 7.261 (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: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2726.995591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.995591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.104965 (E_RNA)
where:
Base-Base interactions energy: -1947.924
where: short stacking energy: -799.389
Base-Backbone interact. energy: -0.671
local terms energy: -787.509899
where:
bonds (distance) C4'-P energy: -124.954
bonds (distance) P-C4' energy: -147.999
flat angles C4'-P-C4' energy: -154.639
flat angles P-C4'-P energy: -111.064
tors. eta vs tors. theta energy: -248.854
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: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2625.610692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.610692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.784364 (E_RNA)
where:
Base-Base interactions energy: -1865.165
where: short stacking energy: -752.610
Base-Backbone interact. energy: -1.690
local terms energy: -766.929377
where:
bonds (distance) C4'-P energy: -129.329
bonds (distance) P-C4' energy: -136.658
flat angles C4'-P-C4' energy: -165.592
flat angles P-C4'-P energy: -102.182
tors. eta vs tors. theta energy: -233.169
Dist. restrs. and SS energy: 8.174 (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: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2559.932855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.932855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.645764 (E_RNA)
where:
Base-Base interactions energy: -1796.333
where: short stacking energy: -735.001
Base-Backbone interact. energy: -1.974
local terms energy: -764.338538
where:
bonds (distance) C4'-P energy: -122.797
bonds (distance) P-C4' energy: -140.838
flat angles C4'-P-C4' energy: -157.173
flat angles P-C4'-P energy: -105.905
tors. eta vs tors. theta energy: -237.626
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2517.987397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.987397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.763169 (E_RNA)
where:
Base-Base interactions energy: -1767.049
where: short stacking energy: -737.648
Base-Backbone interact. energy: -3.250
local terms energy: -753.464852
where:
bonds (distance) C4'-P energy: -127.988
bonds (distance) P-C4' energy: -127.446
flat angles C4'-P-C4' energy: -157.948
flat angles P-C4'-P energy: -106.186
tors. eta vs tors. theta energy: -233.897
Dist. restrs. and SS energy: 5.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2387.202872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.202872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.385112 (E_RNA)
where:
Base-Base interactions energy: -1700.585
where: short stacking energy: -686.717
Base-Backbone interact. energy: 0.087
local terms energy: -696.887573
where:
bonds (distance) C4'-P energy: -120.923
bonds (distance) P-C4' energy: -102.169
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -112.429
tors. eta vs tors. theta energy: -216.447
Dist. restrs. and SS energy: 10.182 (S_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: 354
Temperature: 1.200000
Total energy: -2282.784666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.784666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.465558 (E_RNA)
where:
Base-Base interactions energy: -1619.245
where: short stacking energy: -642.568
Base-Backbone interact. energy: -2.268
local terms energy: -679.952640
where:
bonds (distance) C4'-P energy: -113.588
bonds (distance) P-C4' energy: -115.785
flat angles C4'-P-C4' energy: -142.498
flat angles P-C4'-P energy: -93.556
tors. eta vs tors. theta energy: -214.526
Dist. restrs. and SS energy: 18.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2235.030399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.030399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.801649 (E_RNA)
where:
Base-Base interactions energy: -1585.516
where: short stacking energy: -633.469
Base-Backbone interact. energy: 0.466
local terms energy: -665.751500
where:
bonds (distance) C4'-P energy: -117.558
bonds (distance) P-C4' energy: -121.424
flat angles C4'-P-C4' energy: -140.047
flat angles P-C4'-P energy: -98.783
tors. eta vs tors. theta energy: -187.940
Dist. restrs. and SS energy: 15.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -2093.880898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.880898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.351740 (E_RNA)
where:
Base-Base interactions energy: -1491.275
where: short stacking energy: -585.348
Base-Backbone interact. energy: -3.104
local terms energy: -616.972196
where:
bonds (distance) C4'-P energy: -108.866
bonds (distance) P-C4' energy: -121.615
flat angles C4'-P-C4' energy: -126.327
flat angles P-C4'-P energy: -73.713
tors. eta vs tors. theta energy: -186.451
Dist. restrs. and SS energy: 17.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1864.190488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.190488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.759941 (E_RNA)
where:
Base-Base interactions energy: -1323.793
where: short stacking energy: -527.555
Base-Backbone interact. energy: -2.381
local terms energy: -568.586350
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -103.929
flat angles C4'-P-C4' energy: -133.089
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -168.326
Dist. restrs. and SS energy: 30.569 (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: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2754.838876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.838876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.152227 (E_RNA)
where:
Base-Base interactions energy: -1957.859
where: short stacking energy: -807.009
Base-Backbone interact. energy: -3.163
local terms energy: -802.129842
where:
bonds (distance) C4'-P energy: -140.251
bonds (distance) P-C4' energy: -143.982
flat angles C4'-P-C4' energy: -151.858
flat angles P-C4'-P energy: -116.136
tors. eta vs tors. theta energy: -249.903
Dist. restrs. and SS energy: 8.313 (S_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: 355
Temperature: 0.950000
Total energy: -2717.543112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.543112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.166602 (E_RNA)
where:
Base-Base interactions energy: -1919.704
where: short stacking energy: -799.978
Base-Backbone interact. energy: -3.696
local terms energy: -802.766951
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -144.314
flat angles C4'-P-C4' energy: -160.877
flat angles P-C4'-P energy: -110.680
tors. eta vs tors. theta energy: -249.766
Dist. restrs. and SS energy: 8.623 (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: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2640.207594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.207594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.205241 (E_RNA)
where:
Base-Base interactions energy: -1874.278
where: short stacking energy: -754.744
Base-Backbone interact. energy: 5.419
local terms energy: -778.346163
where:
bonds (distance) C4'-P energy: -136.366
bonds (distance) P-C4' energy: -125.850
flat angles C4'-P-C4' energy: -153.434
flat angles P-C4'-P energy: -121.663
tors. eta vs tors. theta energy: -241.032
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: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2571.634853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.634853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.079651 (E_RNA)
where:
Base-Base interactions energy: -1819.052
where: short stacking energy: -754.477
Base-Backbone interact. energy: -0.348
local terms energy: -757.679215
where:
bonds (distance) C4'-P energy: -104.164
bonds (distance) P-C4' energy: -145.994
flat angles C4'-P-C4' energy: -152.686
flat angles P-C4'-P energy: -106.671
tors. eta vs tors. theta energy: -248.164
Dist. restrs. and SS energy: 5.445 (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: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2528.915894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.915894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.976867 (E_RNA)
where:
Base-Base interactions energy: -1787.379
where: short stacking energy: -740.699
Base-Backbone interact. energy: -2.184
local terms energy: -743.413487
where:
bonds (distance) C4'-P energy: -126.586
bonds (distance) P-C4' energy: -128.722
flat angles C4'-P-C4' energy: -152.272
flat angles P-C4'-P energy: -111.479
tors. eta vs tors. theta energy: -224.355
Dist. restrs. and SS energy: 4.061 (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: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2429.777048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.777048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.101767 (E_RNA)
where:
Base-Base interactions energy: -1707.795
where: short stacking energy: -692.534
Base-Backbone interact. energy: -0.613
local terms energy: -731.693718
where:
bonds (distance) C4'-P energy: -109.582
bonds (distance) P-C4' energy: -129.727
flat angles C4'-P-C4' energy: -160.516
flat angles P-C4'-P energy: -110.384
tors. eta vs tors. theta energy: -221.485
Dist. restrs. and SS energy: 10.325 (S_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: 355
Temperature: 1.200000
Total energy: -2296.819920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.819920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.018785 (E_RNA)
where:
Base-Base interactions energy: -1639.781
where: short stacking energy: -663.445
Base-Backbone interact. energy: -0.219
local terms energy: -666.019443
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -123.927
flat angles C4'-P-C4' energy: -138.190
flat angles P-C4'-P energy: -94.983
tors. eta vs tors. theta energy: -207.677
Dist. restrs. and SS energy: 9.199 (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: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2193.244388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.602204 (E_RNA)
where:
Base-Base interactions energy: -1574.044
where: short stacking energy: -630.003
Base-Backbone interact. energy: -0.914
local terms energy: -630.644456
where:
bonds (distance) C4'-P energy: -118.749
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -132.774
flat angles P-C4'-P energy: -85.587
tors. eta vs tors. theta energy: -189.885
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -2084.436906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.436906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.773363 (E_RNA)
where:
Base-Base interactions energy: -1502.260
where: short stacking energy: -615.706
Base-Backbone interact. energy: -2.536
local terms energy: -598.976796
where:
bonds (distance) C4'-P energy: -82.966
bonds (distance) P-C4' energy: -113.983
flat angles C4'-P-C4' energy: -135.050
flat angles P-C4'-P energy: -77.779
tors. eta vs tors. theta energy: -189.199
Dist. restrs. and SS energy: 19.336 (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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1880.139904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.139904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.764173 (E_RNA)
where:
Base-Base interactions energy: -1333.782
where: short stacking energy: -528.988
Base-Backbone interact. energy: -2.165
local terms energy: -570.816767
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -111.178
flat angles C4'-P-C4' energy: -126.241
flat angles P-C4'-P energy: -71.195
tors. eta vs tors. theta energy: -157.701
Dist. restrs. and SS energy: 26.624 (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: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2789.475674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.475674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.201545 (E_RNA)
where:
Base-Base interactions energy: -1959.783
where: short stacking energy: -828.044
Base-Backbone interact. energy: 0.206
local terms energy: -838.625458
where:
bonds (distance) C4'-P energy: -134.329
bonds (distance) P-C4' energy: -145.280
flat angles C4'-P-C4' energy: -175.976
flat angles P-C4'-P energy: -120.524
tors. eta vs tors. theta energy: -262.517
Dist. restrs. and SS energy: 8.726 (S_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: 356
Temperature: 0.950000
Total energy: -2690.563686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.563686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.357615 (E_RNA)
where:
Base-Base interactions energy: -1911.101
where: short stacking energy: -773.392
Base-Backbone interact. energy: -3.693
local terms energy: -783.563198
where:
bonds (distance) C4'-P energy: -129.602
bonds (distance) P-C4' energy: -137.282
flat angles C4'-P-C4' energy: -162.407
flat angles P-C4'-P energy: -106.179
tors. eta vs tors. theta energy: -248.094
Dist. restrs. and SS energy: 7.794 (S_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: 356
Temperature: 1.000000
Total energy: -2671.233872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.233872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.527109 (E_RNA)
where:
Base-Base interactions energy: -1900.694
where: short stacking energy: -786.300
Base-Backbone interact. energy: -2.565
local terms energy: -776.267689
where:
bonds (distance) C4'-P energy: -125.292
bonds (distance) P-C4' energy: -133.005
flat angles C4'-P-C4' energy: -157.586
flat angles P-C4'-P energy: -122.887
tors. eta vs tors. theta energy: -237.497
Dist. restrs. and SS energy: 8.293 (S_DIST_RNA)
chem. 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: -2567.060638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.060638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.462280 (E_RNA)
where:
Base-Base interactions energy: -1810.208
where: short stacking energy: -724.791
Base-Backbone interact. energy: -2.303
local terms energy: -757.950957
where:
bonds (distance) C4'-P energy: -131.769
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -160.169
flat angles P-C4'-P energy: -105.560
tors. eta vs tors. theta energy: -229.339
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2522.277089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.277089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.595100 (E_RNA)
where:
Base-Base interactions energy: -1808.037
where: short stacking energy: -739.824
Base-Backbone interact. energy: 1.842
local terms energy: -718.399708
where:
bonds (distance) C4'-P energy: -129.050
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -158.745
flat angles P-C4'-P energy: -100.382
tors. eta vs tors. theta energy: -223.221
Dist. restrs. and SS energy: 2.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2416.252288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.252288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.738766 (E_RNA)
where:
Base-Base interactions energy: -1711.385
where: short stacking energy: -716.329
Base-Backbone interact. energy: -2.536
local terms energy: -711.818457
where:
bonds (distance) C4'-P energy: -110.993
bonds (distance) P-C4' energy: -125.624
flat angles C4'-P-C4' energy: -151.609
flat angles P-C4'-P energy: -91.332
tors. eta vs tors. theta energy: -232.260
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: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2290.391796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.391796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.086962 (E_RNA)
where:
Base-Base interactions energy: -1673.520
where: short stacking energy: -683.170
Base-Backbone interact. energy: 0.372
local terms energy: -628.938898
where:
bonds (distance) C4'-P energy: -104.359
bonds (distance) P-C4' energy: -106.359
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -91.996
tors. eta vs tors. theta energy: -206.314
Dist. restrs. and SS energy: 11.695 (S_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: -2211.591981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.591981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.939425 (E_RNA)
where:
Base-Base interactions energy: -1588.520
where: short stacking energy: -644.793
Base-Backbone interact. energy: -2.836
local terms energy: -629.583275
where:
bonds (distance) C4'-P energy: -101.236
bonds (distance) P-C4' energy: -114.098
flat angles C4'-P-C4' energy: -135.104
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -189.050
Dist. restrs. and SS energy: 9.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -2078.421147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.421147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.424012 (E_RNA)
where:
Base-Base interactions energy: -1506.615
where: short stacking energy: -578.847
Base-Backbone interact. energy: -0.463
local terms energy: -593.345208
where:
bonds (distance) C4'-P energy: -86.461
bonds (distance) P-C4' energy: -122.509
flat angles C4'-P-C4' energy: -120.686
flat angles P-C4'-P energy: -95.676
tors. eta vs tors. theta energy: -168.013
Dist. restrs. and SS energy: 22.003 (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: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1862.303189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.303189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.662841 (E_RNA)
where:
Base-Base interactions energy: -1342.361
where: short stacking energy: -549.814
Base-Backbone interact. energy: 1.961
local terms energy: -547.262909
where:
bonds (distance) C4'-P energy: -114.467
bonds (distance) P-C4' energy: -122.332
flat angles C4'-P-C4' energy: -96.698
flat angles P-C4'-P energy: -65.114
tors. eta vs tors. theta energy: -148.651
Dist. restrs. and SS energy: 25.360 (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: 357
Temperature: 0.900000
Total energy: -2784.677530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.677530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.972176 (E_RNA)
where:
Base-Base interactions energy: -1988.003
where: short stacking energy: -815.780
Base-Backbone interact. energy: -1.892
local terms energy: -803.077046
where:
bonds (distance) C4'-P energy: -137.043
bonds (distance) P-C4' energy: -124.025
flat angles C4'-P-C4' energy: -163.208
flat angles P-C4'-P energy: -119.416
tors. eta vs tors. theta energy: -259.385
Dist. restrs. and SS energy: 8.295 (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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2688.352345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.352345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.919392 (E_RNA)
where:
Base-Base interactions energy: -1914.455
where: short stacking energy: -787.491
Base-Backbone interact. energy: -2.995
local terms energy: -780.468916
where:
bonds (distance) C4'-P energy: -140.741
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -153.724
flat angles P-C4'-P energy: -102.782
tors. eta vs tors. theta energy: -245.561
Dist. restrs. and SS energy: 9.567 (S_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: 357
Temperature: 1.000000
Total energy: -2675.936944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.936944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.210936 (E_RNA)
where:
Base-Base interactions energy: -1894.601
where: short stacking energy: -769.619
Base-Backbone interact. energy: -2.219
local terms energy: -786.391549
where:
bonds (distance) C4'-P energy: -137.183
bonds (distance) P-C4' energy: -139.135
flat angles C4'-P-C4' energy: -153.687
flat angles P-C4'-P energy: -109.698
tors. eta vs tors. theta energy: -246.688
Dist. restrs. and SS energy: 7.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2614.376949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.376949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.536983 (E_RNA)
where:
Base-Base interactions energy: -1827.606
where: short stacking energy: -765.355
Base-Backbone interact. energy: -1.511
local terms energy: -788.419484
where:
bonds (distance) C4'-P energy: -130.945
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -168.623
flat angles P-C4'-P energy: -125.682
tors. eta vs tors. theta energy: -241.204
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2498.510861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.510861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.050931 (E_RNA)
where:
Base-Base interactions energy: -1780.390
where: short stacking energy: -727.948
Base-Backbone interact. energy: -1.125
local terms energy: -721.535938
where:
bonds (distance) C4'-P energy: -115.712
bonds (distance) P-C4' energy: -133.841
flat angles C4'-P-C4' energy: -134.750
flat angles P-C4'-P energy: -103.534
tors. eta vs tors. theta energy: -233.698
Dist. restrs. and SS energy: 4.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2415.182776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.182776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.821755 (E_RNA)
where:
Base-Base interactions energy: -1699.385
where: short stacking energy: -696.038
Base-Backbone interact. energy: -3.330
local terms energy: -719.106666
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -134.263
flat angles C4'-P-C4' energy: -147.963
flat angles P-C4'-P energy: -97.103
tors. eta vs tors. theta energy: -218.572
Dist. restrs. and SS energy: 6.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2344.127713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.127713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.493284 (E_RNA)
where:
Base-Base interactions energy: -1673.137
where: short stacking energy: -674.196
Base-Backbone interact. energy: -0.620
local terms energy: -680.736874
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -115.696
flat angles C4'-P-C4' energy: -144.767
flat angles P-C4'-P energy: -100.672
tors. eta vs tors. theta energy: -207.667
Dist. restrs. and SS energy: 10.366 (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: 357
Temperature: 1.250000
Total energy: -2199.120898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.120898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.567525 (E_RNA)
where:
Base-Base interactions energy: -1570.190
where: short stacking energy: -627.474
Base-Backbone interact. energy: -0.194
local terms energy: -644.183520
where:
bonds (distance) C4'-P energy: -123.307
bonds (distance) P-C4' energy: -134.568
flat angles C4'-P-C4' energy: -137.127
flat angles P-C4'-P energy: -68.973
tors. eta vs tors. theta energy: -180.209
Dist. restrs. and SS energy: 15.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -2014.895508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.895508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.470933 (E_RNA)
where:
Base-Base interactions energy: -1436.621
where: short stacking energy: -576.054
Base-Backbone interact. energy: -1.836
local terms energy: -597.014106
where:
bonds (distance) C4'-P energy: -104.439
bonds (distance) P-C4' energy: -112.638
flat angles C4'-P-C4' energy: -136.568
flat angles P-C4'-P energy: -74.297
tors. eta vs tors. theta energy: -169.072
Dist. restrs. and SS energy: 20.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1890.340901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.340901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.435018 (E_RNA)
where:
Base-Base interactions energy: -1338.551
where: short stacking energy: -513.009
Base-Backbone interact. energy: 3.059
local terms energy: -573.942678
where:
bonds (distance) C4'-P energy: -116.100
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -117.080
flat angles P-C4'-P energy: -90.985
tors. eta vs tors. theta energy: -144.475
Dist. restrs. and SS energy: 19.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2746.137489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.137489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.469284 (E_RNA)
where:
Base-Base interactions energy: -1937.036
where: short stacking energy: -780.713
Base-Backbone interact. energy: 5.047
local terms energy: -823.480230
where:
bonds (distance) C4'-P energy: -135.106
bonds (distance) P-C4' energy: -157.956
flat angles C4'-P-C4' energy: -169.332
flat angles P-C4'-P energy: -116.749
tors. eta vs tors. theta energy: -244.338
Dist. restrs. and SS energy: 9.332 (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: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2723.436351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.436351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.148451 (E_RNA)
where:
Base-Base interactions energy: -1919.625
where: short stacking energy: -790.657
Base-Backbone interact. energy: -3.399
local terms energy: -807.124270
where:
bonds (distance) C4'-P energy: -136.737
bonds (distance) P-C4' energy: -128.431
flat angles C4'-P-C4' energy: -174.472
flat angles P-C4'-P energy: -123.303
tors. eta vs tors. theta energy: -244.182
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: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2639.107622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.107622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.150384 (E_RNA)
where:
Base-Base interactions energy: -1857.999
where: short stacking energy: -744.525
Base-Backbone interact. energy: 1.158
local terms energy: -791.309720
where:
bonds (distance) C4'-P energy: -139.594
bonds (distance) P-C4' energy: -130.348
flat angles C4'-P-C4' energy: -161.431
flat angles P-C4'-P energy: -121.471
tors. eta vs tors. theta energy: -238.465
Dist. restrs. and SS energy: 9.043 (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: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2547.459692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.459692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.756746 (E_RNA)
where:
Base-Base interactions energy: -1782.866
where: short stacking energy: -753.095
Base-Backbone interact. energy: -1.396
local terms energy: -768.495354
where:
bonds (distance) C4'-P energy: -131.564
bonds (distance) P-C4' energy: -132.249
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -106.347
tors. eta vs tors. theta energy: -239.627
Dist. restrs. and SS energy: 5.297 (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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2511.511525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.511525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.784555 (E_RNA)
where:
Base-Base interactions energy: -1780.818
where: short stacking energy: -738.610
Base-Backbone interact. energy: 0.471
local terms energy: -737.437743
where:
bonds (distance) C4'-P energy: -128.492
bonds (distance) P-C4' energy: -128.831
flat angles C4'-P-C4' energy: -151.149
flat angles P-C4'-P energy: -99.761
tors. eta vs tors. theta energy: -229.204
Dist. restrs. and SS energy: 6.273 (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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2455.980198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.980198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.061474 (E_RNA)
where:
Base-Base interactions energy: -1733.469
where: short stacking energy: -689.898
Base-Backbone interact. energy: -0.045
local terms energy: -730.547311
where:
bonds (distance) C4'-P energy: -127.562
bonds (distance) P-C4' energy: -134.467
flat angles C4'-P-C4' energy: -148.325
flat angles P-C4'-P energy: -91.495
tors. eta vs tors. theta energy: -228.697
Dist. restrs. and SS energy: 8.081 (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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2290.153612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.153612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.849250 (E_RNA)
where:
Base-Base interactions energy: -1639.821
where: short stacking energy: -664.925
Base-Backbone interact. energy: -0.932
local terms energy: -664.096868
where:
bonds (distance) C4'-P energy: -106.949
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -137.918
flat angles P-C4'-P energy: -94.355
tors. eta vs tors. theta energy: -204.737
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2186.227024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.227024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.394870 (E_RNA)
where:
Base-Base interactions energy: -1559.875
where: short stacking energy: -621.807
Base-Backbone interact. energy: -0.742
local terms energy: -642.777510
where:
bonds (distance) C4'-P energy: -111.624
bonds (distance) P-C4' energy: -114.149
flat angles C4'-P-C4' energy: -142.327
flat angles P-C4'-P energy: -88.212
tors. eta vs tors. theta energy: -186.465
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -2007.591341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.591341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.812293 (E_RNA)
where:
Base-Base interactions energy: -1437.814
where: short stacking energy: -598.321
Base-Backbone interact. energy: -0.527
local terms energy: -584.471166
where:
bonds (distance) C4'-P energy: -100.146
bonds (distance) P-C4' energy: -101.495
flat angles C4'-P-C4' energy: -125.314
flat angles P-C4'-P energy: -75.766
tors. eta vs tors. theta energy: -181.750
Dist. restrs. and SS energy: 15.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -2022.995242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.995242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.098872 (E_RNA)
where:
Base-Base interactions energy: -1463.040
where: short stacking energy: -585.216
Base-Backbone interact. energy: 6.769
local terms energy: -582.827925
where:
bonds (distance) C4'-P energy: -100.873
bonds (distance) P-C4' energy: -96.519
flat angles C4'-P-C4' energy: -132.453
flat angles P-C4'-P energy: -80.639
tors. eta vs tors. theta energy: -172.345
Dist. restrs. and SS energy: 16.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2763.677944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.677944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.538471 (E_RNA)
where:
Base-Base interactions energy: -1965.651
where: short stacking energy: -825.957
Base-Backbone interact. energy: -1.790
local terms energy: -803.097646
where:
bonds (distance) C4'-P energy: -131.313
bonds (distance) P-C4' energy: -130.996
flat angles C4'-P-C4' energy: -171.607
flat angles P-C4'-P energy: -121.327
tors. eta vs tors. theta energy: -247.854
Dist. restrs. and SS energy: 6.861 (S_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: 359
Temperature: 0.950000
Total energy: -2718.376452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.376452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.058044 (E_RNA)
where:
Base-Base interactions energy: -1934.898
where: short stacking energy: -807.830
Base-Backbone interact. energy: 0.125
local terms energy: -792.285242
where:
bonds (distance) C4'-P energy: -132.884
bonds (distance) P-C4' energy: -132.414
flat angles C4'-P-C4' energy: -167.743
flat angles P-C4'-P energy: -109.238
tors. eta vs tors. theta energy: -250.005
Dist. restrs. and SS energy: 8.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2693.886829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.886829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.979668 (E_RNA)
where:
Base-Base interactions energy: -1913.636
where: short stacking energy: -794.669
Base-Backbone interact. energy: -1.425
local terms energy: -784.919223
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -128.094
flat angles C4'-P-C4' energy: -166.847
flat angles P-C4'-P energy: -115.490
tors. eta vs tors. theta energy: -248.253
Dist. restrs. and SS energy: 6.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2548.540790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.540790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.409953 (E_RNA)
where:
Base-Base interactions energy: -1789.574
where: short stacking energy: -744.489
Base-Backbone interact. energy: -0.757
local terms energy: -762.078304
where:
bonds (distance) C4'-P energy: -128.189
bonds (distance) P-C4' energy: -123.913
flat angles C4'-P-C4' energy: -151.815
flat angles P-C4'-P energy: -120.002
tors. eta vs tors. theta energy: -238.159
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: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2498.944341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.944341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.579964 (E_RNA)
where:
Base-Base interactions energy: -1732.957
where: short stacking energy: -703.031
Base-Backbone interact. energy: -3.511
local terms energy: -768.111677
where:
bonds (distance) C4'-P energy: -118.708
bonds (distance) P-C4' energy: -137.427
flat angles C4'-P-C4' energy: -153.950
flat angles P-C4'-P energy: -118.796
tors. eta vs tors. theta energy: -239.230
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: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2421.713871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.713871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.886656 (E_RNA)
where:
Base-Base interactions energy: -1734.924
where: short stacking energy: -690.130
Base-Backbone interact. energy: -1.858
local terms energy: -691.104159
where:
bonds (distance) C4'-P energy: -103.266
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -153.108
flat angles P-C4'-P energy: -94.802
tors. eta vs tors. theta energy: -224.096
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2322.807432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.807432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.368347 (E_RNA)
where:
Base-Base interactions energy: -1656.653
where: short stacking energy: -667.789
Base-Backbone interact. energy: 4.920
local terms energy: -682.634919
where:
bonds (distance) C4'-P energy: -121.769
bonds (distance) P-C4' energy: -127.863
flat angles C4'-P-C4' energy: -129.411
flat angles P-C4'-P energy: -103.369
tors. eta vs tors. theta energy: -200.222
Dist. restrs. and SS energy: 11.561 (S_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: 359
Temperature: 1.250000
Total energy: -2173.401694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.401694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.470853 (E_RNA)
where:
Base-Base interactions energy: -1572.804
where: short stacking energy: -640.552
Base-Backbone interact. energy: -3.302
local terms energy: -614.365509
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -90.460
flat angles C4'-P-C4' energy: -146.134
flat angles P-C4'-P energy: -89.944
tors. eta vs tors. theta energy: -180.083
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: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -2102.327306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.327306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.634110 (E_RNA)
where:
Base-Base interactions energy: -1496.023
where: short stacking energy: -594.788
Base-Backbone interact. energy: -2.168
local terms energy: -624.443043
where:
bonds (distance) C4'-P energy: -104.754
bonds (distance) P-C4' energy: -113.568
flat angles C4'-P-C4' energy: -143.871
flat angles P-C4'-P energy: -97.117
tors. eta vs tors. theta energy: -165.134
Dist. restrs. and SS energy: 20.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1997.648307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.648307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.384313 (E_RNA)
where:
Base-Base interactions energy: -1430.993
where: short stacking energy: -566.033
Base-Backbone interact. energy: -0.840
local terms energy: -586.550989
where:
bonds (distance) C4'-P energy: -127.039
bonds (distance) P-C4' energy: -101.661
flat angles C4'-P-C4' energy: -123.555
flat angles P-C4'-P energy: -71.376
tors. eta vs tors. theta energy: -162.919
Dist. restrs. and SS energy: 20.736 (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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2745.355997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.355997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.798747 (E_RNA)
where:
Base-Base interactions energy: -1932.570
where: short stacking energy: -814.144
Base-Backbone interact. energy: -3.721
local terms energy: -817.508078
where:
bonds (distance) C4'-P energy: -126.643
bonds (distance) P-C4' energy: -130.078
flat angles C4'-P-C4' energy: -178.212
flat angles P-C4'-P energy: -127.827
tors. eta vs tors. theta energy: -254.748
Dist. restrs. and SS energy: 8.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2727.865883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.865883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.406419 (E_RNA)
where:
Base-Base interactions energy: -1929.256
where: short stacking energy: -802.811
Base-Backbone interact. energy: -3.680
local terms energy: -802.470966
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -144.608
flat angles C4'-P-C4' energy: -158.730
flat angles P-C4'-P energy: -111.366
tors. eta vs tors. theta energy: -249.192
Dist. restrs. and SS energy: 7.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2625.713556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.713556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.419745 (E_RNA)
where:
Base-Base interactions energy: -1837.383
where: short stacking energy: -772.031
Base-Backbone interact. energy: -0.016
local terms energy: -794.020813
where:
bonds (distance) C4'-P energy: -128.248
bonds (distance) P-C4' energy: -142.324
flat angles C4'-P-C4' energy: -163.476
flat angles P-C4'-P energy: -115.940
tors. eta vs tors. theta energy: -244.033
Dist. restrs. and SS energy: 5.706 (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: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2594.596476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.596476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.713924 (E_RNA)
where:
Base-Base interactions energy: -1823.060
where: short stacking energy: -754.306
Base-Backbone interact. energy: -2.709
local terms energy: -778.944800
where:
bonds (distance) C4'-P energy: -121.173
bonds (distance) P-C4' energy: -124.325
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -123.495
tors. eta vs tors. theta energy: -245.212
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2517.956897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.956897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.279117 (E_RNA)
where:
Base-Base interactions energy: -1792.697
where: short stacking energy: -736.725
Base-Backbone interact. energy: -4.585
local terms energy: -725.996466
where:
bonds (distance) C4'-P energy: -109.722
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -151.461
flat angles P-C4'-P energy: -119.988
tors. eta vs tors. theta energy: -232.581
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: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2448.486283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.486283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.732185 (E_RNA)
where:
Base-Base interactions energy: -1738.390
where: short stacking energy: -713.671
Base-Backbone interact. energy: -4.076
local terms energy: -716.266163
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -152.262
flat angles P-C4'-P energy: -112.573
tors. eta vs tors. theta energy: -221.108
Dist. restrs. and SS energy: 10.246 (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: 360
Temperature: 1.200000
Total energy: -2292.917634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.321648 (E_RNA)
where:
Base-Base interactions energy: -1627.686
where: short stacking energy: -660.308
Base-Backbone interact. energy: -2.480
local terms energy: -669.155798
where:
bonds (distance) C4'-P energy: -116.096
bonds (distance) P-C4' energy: -113.485
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -210.884
Dist. restrs. and SS energy: 6.404 (S_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: 360
Temperature: 1.250000
Total energy: -2151.471041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.471041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.480382 (E_RNA)
where:
Base-Base interactions energy: -1520.260
where: short stacking energy: -604.626
Base-Backbone interact. energy: -1.746
local terms energy: -642.474359
where:
bonds (distance) C4'-P energy: -124.234
bonds (distance) P-C4' energy: -116.201
flat angles C4'-P-C4' energy: -133.697
flat angles P-C4'-P energy: -93.682
tors. eta vs tors. theta energy: -174.660
Dist. restrs. and SS energy: 13.009 (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: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -2074.913489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.913489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.479966 (E_RNA)
where:
Base-Base interactions energy: -1454.075
where: short stacking energy: -593.876
Base-Backbone interact. energy: -2.378
local terms energy: -637.027082
where:
bonds (distance) C4'-P energy: -120.676
bonds (distance) P-C4' energy: -124.938
flat angles C4'-P-C4' energy: -134.354
flat angles P-C4'-P energy: -84.077
tors. eta vs tors. theta energy: -172.982
Dist. restrs. and SS energy: 18.566 (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: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1979.652640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.652640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.637393 (E_RNA)
where:
Base-Base interactions energy: -1427.448
where: short stacking energy: -576.016
Base-Backbone interact. energy: 4.307
local terms energy: -573.496733
where:
bonds (distance) C4'-P energy: -93.806
bonds (distance) P-C4' energy: -95.432
flat angles C4'-P-C4' energy: -138.135
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -164.106
Dist. restrs. and SS energy: 16.985 (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: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2753.932479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.932479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.347939 (E_RNA)
where:
Base-Base interactions energy: -1937.115
where: short stacking energy: -791.115
Base-Backbone interact. energy: -2.307
local terms energy: -819.925337
where:
bonds (distance) C4'-P energy: -147.046
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -163.133
flat angles P-C4'-P energy: -111.090
tors. eta vs tors. theta energy: -252.411
Dist. restrs. and SS energy: 5.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2711.970141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.970141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.998462 (E_RNA)
where:
Base-Base interactions energy: -1925.403
where: short stacking energy: -795.046
Base-Backbone interact. energy: -2.605
local terms energy: -791.990701
where:
bonds (distance) C4'-P energy: -135.471
bonds (distance) P-C4' energy: -129.299
flat angles C4'-P-C4' energy: -164.918
flat angles P-C4'-P energy: -111.705
tors. eta vs tors. theta energy: -250.597
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: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2668.726281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.726281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.281042 (E_RNA)
where:
Base-Base interactions energy: -1853.853
where: short stacking energy: -776.206
Base-Backbone interact. energy: -2.011
local terms energy: -815.416683
where:
bonds (distance) C4'-P energy: -142.273
bonds (distance) P-C4' energy: -153.213
flat angles C4'-P-C4' energy: -151.955
flat angles P-C4'-P energy: -117.810
tors. eta vs tors. theta energy: -250.166
Dist. restrs. and SS energy: 2.555 (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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2605.363588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.363588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.296624 (E_RNA)
where:
Base-Base interactions energy: -1840.814
where: short stacking energy: -729.480
Base-Backbone interact. energy: -0.677
local terms energy: -768.805542
where:
bonds (distance) C4'-P energy: -143.605
bonds (distance) P-C4' energy: -126.604
flat angles C4'-P-C4' energy: -148.969
flat angles P-C4'-P energy: -101.352
tors. eta vs tors. theta energy: -248.275
Dist. restrs. and SS energy: 4.933 (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: 361
Temperature: 1.100000
Total energy: -2544.228404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.228404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.451354 (E_RNA)
where:
Base-Base interactions energy: -1818.346
where: short stacking energy: -731.797
Base-Backbone interact. energy: 0.235
local terms energy: -732.340011
where:
bonds (distance) C4'-P energy: -119.476
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -154.597
flat angles P-C4'-P energy: -105.901
tors. eta vs tors. theta energy: -227.104
Dist. restrs. and SS energy: 6.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2423.570623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.570623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.620452 (E_RNA)
where:
Base-Base interactions energy: -1728.855
where: short stacking energy: -711.336
Base-Backbone interact. energy: -1.445
local terms energy: -708.320432
where:
bonds (distance) C4'-P energy: -134.391
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -145.864
flat angles P-C4'-P energy: -84.431
tors. eta vs tors. theta energy: -225.284
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2349.444747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.444747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.493064 (E_RNA)
where:
Base-Base interactions energy: -1666.972
where: short stacking energy: -693.046
Base-Backbone interact. energy: -2.409
local terms energy: -687.112496
where:
bonds (distance) C4'-P energy: -117.110
bonds (distance) P-C4' energy: -125.781
flat angles C4'-P-C4' energy: -140.993
flat angles P-C4'-P energy: -94.760
tors. eta vs tors. theta energy: -208.468
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2134.976578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.976578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.406576 (E_RNA)
where:
Base-Base interactions energy: -1545.099
where: short stacking energy: -626.679
Base-Backbone interact. energy: 6.408
local terms energy: -612.715542
where:
bonds (distance) C4'-P energy: -122.415
bonds (distance) P-C4' energy: -92.824
flat angles C4'-P-C4' energy: -123.258
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -191.899
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: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -2028.071648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.071648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.028970 (E_RNA)
where:
Base-Base interactions energy: -1427.995
where: short stacking energy: -583.267
Base-Backbone interact. energy: -1.620
local terms energy: -618.413211
where:
bonds (distance) C4'-P energy: -106.700
bonds (distance) P-C4' energy: -127.843
flat angles C4'-P-C4' energy: -125.965
flat angles P-C4'-P energy: -79.851
tors. eta vs tors. theta energy: -178.054
Dist. restrs. and SS energy: 19.957 (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: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1950.899352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.899352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.629771 (E_RNA)
where:
Base-Base interactions energy: -1413.339
where: short stacking energy: -558.995
Base-Backbone interact. energy: -2.249
local terms energy: -567.041586
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -110.465
flat angles C4'-P-C4' energy: -128.439
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -152.874
Dist. restrs. and SS energy: 31.730 (S_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: 362
Temperature: 0.900000
Total energy: -2757.686820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.686820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.475133 (E_RNA)
where:
Base-Base interactions energy: -1961.239
where: short stacking energy: -808.607
Base-Backbone interact. energy: -4.587
local terms energy: -798.649590
where:
bonds (distance) C4'-P energy: -133.847
bonds (distance) P-C4' energy: -142.643
flat angles C4'-P-C4' energy: -163.875
flat angles P-C4'-P energy: -107.843
tors. eta vs tors. theta energy: -250.442
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: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2694.703771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.703771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.298257 (E_RNA)
where:
Base-Base interactions energy: -1911.693
where: short stacking energy: -797.974
Base-Backbone interact. energy: -3.832
local terms energy: -787.773395
where:
bonds (distance) C4'-P energy: -130.941
bonds (distance) P-C4' energy: -138.747
flat angles C4'-P-C4' energy: -174.267
flat angles P-C4'-P energy: -100.833
tors. eta vs tors. theta energy: -242.986
Dist. restrs. and SS energy: 8.594 (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: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2640.528376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.528376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.715944 (E_RNA)
where:
Base-Base interactions energy: -1864.714
where: short stacking energy: -773.258
Base-Backbone interact. energy: -1.122
local terms energy: -778.880068
where:
bonds (distance) C4'-P energy: -130.661
bonds (distance) P-C4' energy: -136.337
flat angles C4'-P-C4' energy: -158.875
flat angles P-C4'-P energy: -107.742
tors. eta vs tors. theta energy: -245.265
Dist. restrs. and SS energy: 4.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2593.631493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.631493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.204966 (E_RNA)
where:
Base-Base interactions energy: -1817.501
where: short stacking energy: -751.118
Base-Backbone interact. energy: -0.260
local terms energy: -779.443912
where:
bonds (distance) C4'-P energy: -127.814
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -160.276
flat angles P-C4'-P energy: -112.918
tors. eta vs tors. theta energy: -251.162
Dist. restrs. and SS energy: 3.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2538.859043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.859043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.389588 (E_RNA)
where:
Base-Base interactions energy: -1802.413
where: short stacking energy: -746.176
Base-Backbone interact. energy: 4.041
local terms energy: -748.018136
where:
bonds (distance) C4'-P energy: -141.837
bonds (distance) P-C4' energy: -131.528
flat angles C4'-P-C4' energy: -145.880
flat angles P-C4'-P energy: -99.332
tors. eta vs tors. theta energy: -229.442
Dist. restrs. and SS energy: 7.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2437.587029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.587029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.656913 (E_RNA)
where:
Base-Base interactions energy: -1737.553
where: short stacking energy: -700.526
Base-Backbone interact. energy: -1.013
local terms energy: -711.091099
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -135.863
flat angles C4'-P-C4' energy: -148.552
flat angles P-C4'-P energy: -106.193
tors. eta vs tors. theta energy: -218.775
Dist. restrs. and SS energy: 12.070 (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: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2335.516634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.516634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.310178 (E_RNA)
where:
Base-Base interactions energy: -1657.472
where: short stacking energy: -682.790
Base-Backbone interact. energy: -0.178
local terms energy: -687.659336
where:
bonds (distance) C4'-P energy: -122.421
bonds (distance) P-C4' energy: -112.507
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -81.252
tors. eta vs tors. theta energy: -219.616
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: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2150.589263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.589263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.818806 (E_RNA)
where:
Base-Base interactions energy: -1518.742
where: short stacking energy: -612.061
Base-Backbone interact. energy: -3.246
local terms energy: -638.831449
where:
bonds (distance) C4'-P energy: -119.215
bonds (distance) P-C4' energy: -124.872
flat angles C4'-P-C4' energy: -135.820
flat angles P-C4'-P energy: -81.116
tors. eta vs tors. theta energy: -177.809
Dist. restrs. and SS energy: 10.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -2138.667230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.667230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.830231 (E_RNA)
where:
Base-Base interactions energy: -1506.078
where: short stacking energy: -587.675
Base-Backbone interact. energy: 1.936
local terms energy: -655.688239
where:
bonds (distance) C4'-P energy: -122.505
bonds (distance) P-C4' energy: -114.477
flat angles C4'-P-C4' energy: -128.529
flat angles P-C4'-P energy: -95.665
tors. eta vs tors. theta energy: -194.513
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1925.362903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.362903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.035316 (E_RNA)
where:
Base-Base interactions energy: -1384.379
where: short stacking energy: -548.800
Base-Backbone interact. energy: 9.104
local terms energy: -571.760185
where:
bonds (distance) C4'-P energy: -116.222
bonds (distance) P-C4' energy: -107.108
flat angles C4'-P-C4' energy: -124.516
flat angles P-C4'-P energy: -76.553
tors. eta vs tors. theta energy: -147.361
Dist. restrs. and SS energy: 21.672 (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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2747.671115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.671115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.062612 (E_RNA)
where:
Base-Base interactions energy: -1951.142
where: short stacking energy: -802.265
Base-Backbone interact. energy: -3.718
local terms energy: -798.202792
where:
bonds (distance) C4'-P energy: -125.000
bonds (distance) P-C4' energy: -137.922
flat angles C4'-P-C4' energy: -162.303
flat angles P-C4'-P energy: -119.445
tors. eta vs tors. theta energy: -253.532
Dist. restrs. and SS energy: 5.391 (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: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2719.141043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.141043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.801611 (E_RNA)
where:
Base-Base interactions energy: -1923.976
where: short stacking energy: -797.481
Base-Backbone interact. energy: -0.255
local terms energy: -800.571250
where:
bonds (distance) C4'-P energy: -137.267
bonds (distance) P-C4' energy: -123.741
flat angles C4'-P-C4' energy: -171.879
flat angles P-C4'-P energy: -118.836
tors. eta vs tors. theta energy: -248.848
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: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2659.486266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.486266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.362060 (E_RNA)
where:
Base-Base interactions energy: -1881.685
where: short stacking energy: -765.624
Base-Backbone interact. energy: -3.228
local terms energy: -776.449329
where:
bonds (distance) C4'-P energy: -123.355
bonds (distance) P-C4' energy: -143.802
flat angles C4'-P-C4' energy: -158.944
flat angles P-C4'-P energy: -103.539
tors. eta vs tors. theta energy: -246.810
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. 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: -2529.010628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.010628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.224353 (E_RNA)
where:
Base-Base interactions energy: -1827.904
where: short stacking energy: -724.460
Base-Backbone interact. energy: -2.881
local terms energy: -703.439527
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -112.772
flat angles C4'-P-C4' energy: -148.187
flat angles P-C4'-P energy: -108.870
tors. eta vs tors. theta energy: -218.969
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2552.265495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.265495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.678162 (E_RNA)
where:
Base-Base interactions energy: -1802.039
where: short stacking energy: -758.486
Base-Backbone interact. energy: -1.471
local terms energy: -753.168429
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -121.599
flat angles C4'-P-C4' energy: -159.755
flat angles P-C4'-P energy: -101.579
tors. eta vs tors. theta energy: -236.668
Dist. restrs. and SS energy: 4.413 (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: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2414.012201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.012201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.385698 (E_RNA)
where:
Base-Base interactions energy: -1719.682
where: short stacking energy: -705.007
Base-Backbone interact. energy: -1.407
local terms energy: -704.296798
where:
bonds (distance) C4'-P energy: -118.203
bonds (distance) P-C4' energy: -112.612
flat angles C4'-P-C4' energy: -141.214
flat angles P-C4'-P energy: -105.170
tors. eta vs tors. theta energy: -227.098
Dist. restrs. and SS energy: 11.373 (S_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: 363
Temperature: 1.200000
Total energy: -2343.095177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.095177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.815863 (E_RNA)
where:
Base-Base interactions energy: -1669.627
where: short stacking energy: -676.011
Base-Backbone interact. energy: 1.941
local terms energy: -682.130395
where:
bonds (distance) C4'-P energy: -119.774
bonds (distance) P-C4' energy: -103.609
flat angles C4'-P-C4' energy: -151.294
flat angles P-C4'-P energy: -97.111
tors. eta vs tors. theta energy: -210.343
Dist. restrs. and SS energy: 6.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2175.038672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.038672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.065907 (E_RNA)
where:
Base-Base interactions energy: -1560.196
where: short stacking energy: -628.864
Base-Backbone interact. energy: -1.535
local terms energy: -628.335243
where:
bonds (distance) C4'-P energy: -117.778
bonds (distance) P-C4' energy: -105.495
flat angles C4'-P-C4' energy: -128.726
flat angles P-C4'-P energy: -93.859
tors. eta vs tors. theta energy: -182.476
Dist. restrs. and SS energy: 15.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -2131.440286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.440286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.165524 (E_RNA)
where:
Base-Base interactions energy: -1549.427
where: short stacking energy: -602.206
Base-Backbone interact. energy: 2.038
local terms energy: -590.776775
where:
bonds (distance) C4'-P energy: -97.813
bonds (distance) P-C4' energy: -101.271
flat angles C4'-P-C4' energy: -130.381
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: -188.290
Dist. restrs. and SS energy: 6.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1963.989642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.989642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.114733 (E_RNA)
where:
Base-Base interactions energy: -1398.754
where: short stacking energy: -563.710
Base-Backbone interact. energy: -2.835
local terms energy: -590.525411
where:
bonds (distance) C4'-P energy: -93.020
bonds (distance) P-C4' energy: -120.829
flat angles C4'-P-C4' energy: -126.789
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: -171.237
Dist. restrs. and SS energy: 28.125 (S_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: 364
Temperature: 0.900000
Total energy: -2750.049130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.049130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.454478 (E_RNA)
where:
Base-Base interactions energy: -1948.095
where: short stacking energy: -808.114
Base-Backbone interact. energy: -1.598
local terms energy: -807.761427
where:
bonds (distance) C4'-P energy: -133.780
bonds (distance) P-C4' energy: -141.725
flat angles C4'-P-C4' energy: -165.651
flat angles P-C4'-P energy: -120.717
tors. eta vs tors. theta energy: -245.889
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2691.771582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.771582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.096532 (E_RNA)
where:
Base-Base interactions energy: -1907.775
where: short stacking energy: -790.754
Base-Backbone interact. energy: -2.677
local terms energy: -789.644225
where:
bonds (distance) C4'-P energy: -131.375
bonds (distance) P-C4' energy: -142.709
flat angles C4'-P-C4' energy: -160.659
flat angles P-C4'-P energy: -109.577
tors. eta vs tors. theta energy: -245.324
Dist. restrs. and SS energy: 8.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2658.656267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.656267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.247009 (E_RNA)
where:
Base-Base interactions energy: -1872.276
where: short stacking energy: -776.206
Base-Backbone interact. energy: -2.018
local terms energy: -785.952663
where:
bonds (distance) C4'-P energy: -126.780
bonds (distance) P-C4' energy: -146.350
flat angles C4'-P-C4' energy: -165.447
flat angles P-C4'-P energy: -107.216
tors. eta vs tors. theta energy: -240.160
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2622.105820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.105820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.215888 (E_RNA)
where:
Base-Base interactions energy: -1852.297
where: short stacking energy: -739.162
Base-Backbone interact. energy: -3.786
local terms energy: -776.133071
where:
bonds (distance) C4'-P energy: -122.975
bonds (distance) P-C4' energy: -145.210
flat angles C4'-P-C4' energy: -162.001
flat angles P-C4'-P energy: -113.979
tors. eta vs tors. theta energy: -231.968
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: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2523.838695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.838695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.388587 (E_RNA)
where:
Base-Base interactions energy: -1790.750
where: short stacking energy: -738.560
Base-Backbone interact. energy: -0.407
local terms energy: -735.231507
where:
bonds (distance) C4'-P energy: -131.948
bonds (distance) P-C4' energy: -124.485
flat angles C4'-P-C4' energy: -150.163
flat angles P-C4'-P energy: -94.942
tors. eta vs tors. theta energy: -233.694
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2398.328837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.328837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.950857 (E_RNA)
where:
Base-Base interactions energy: -1701.358
where: short stacking energy: -670.611
Base-Backbone interact. energy: 1.144
local terms energy: -709.736798
where:
bonds (distance) C4'-P energy: -133.477
bonds (distance) P-C4' energy: -138.707
flat angles C4'-P-C4' energy: -139.284
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -208.410
Dist. restrs. and SS energy: 11.622 (S_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: 364
Temperature: 1.200000
Total energy: -2331.020458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.020458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.562190 (E_RNA)
where:
Base-Base interactions energy: -1655.006
where: short stacking energy: -679.582
Base-Backbone interact. energy: 8.538
local terms energy: -697.094742
where:
bonds (distance) C4'-P energy: -115.628
bonds (distance) P-C4' energy: -118.834
flat angles C4'-P-C4' energy: -138.658
flat angles P-C4'-P energy: -105.510
tors. eta vs tors. theta energy: -218.465
Dist. restrs. and SS energy: 12.542 (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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2218.064241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.064241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.311774 (E_RNA)
where:
Base-Base interactions energy: -1567.455
where: short stacking energy: -631.070
Base-Backbone interact. energy: 1.402
local terms energy: -669.258674
where:
bonds (distance) C4'-P energy: -128.201
bonds (distance) P-C4' energy: -117.794
flat angles C4'-P-C4' energy: -135.162
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -202.863
Dist. restrs. and SS energy: 17.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -2106.798524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.798524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.529305 (E_RNA)
where:
Base-Base interactions energy: -1490.109
where: short stacking energy: -585.613
Base-Backbone interact. energy: -3.816
local terms energy: -624.604760
where:
bonds (distance) C4'-P energy: -130.642
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -128.102
flat angles P-C4'-P energy: -84.599
tors. eta vs tors. theta energy: -177.391
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: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1951.171085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.171085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.420423 (E_RNA)
where:
Base-Base interactions energy: -1402.686
where: short stacking energy: -526.712
Base-Backbone interact. energy: 0.186
local terms energy: -566.920809
where:
bonds (distance) C4'-P energy: -107.963
bonds (distance) P-C4' energy: -104.685
flat angles C4'-P-C4' energy: -119.849
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -155.074
Dist. restrs. and SS energy: 18.249 (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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2754.828255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.828255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.179372 (E_RNA)
where:
Base-Base interactions energy: -1966.563
where: short stacking energy: -794.457
Base-Backbone interact. energy: -2.311
local terms energy: -793.305319
where:
bonds (distance) C4'-P energy: -132.453
bonds (distance) P-C4' energy: -149.532
flat angles C4'-P-C4' energy: -164.384
flat angles P-C4'-P energy: -95.403
tors. eta vs tors. theta energy: -251.534
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: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2730.213642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.213642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.764703 (E_RNA)
where:
Base-Base interactions energy: -1928.750
where: short stacking energy: -790.166
Base-Backbone interact. energy: -1.121
local terms energy: -809.893630
where:
bonds (distance) C4'-P energy: -128.393
bonds (distance) P-C4' energy: -132.046
flat angles C4'-P-C4' energy: -175.059
flat angles P-C4'-P energy: -130.051
tors. eta vs tors. theta energy: -244.346
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: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2630.301488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.301488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.812296 (E_RNA)
where:
Base-Base interactions energy: -1845.936
where: short stacking energy: -780.172
Base-Backbone interact. energy: 2.374
local terms energy: -790.250147
where:
bonds (distance) C4'-P energy: -141.108
bonds (distance) P-C4' energy: -134.011
flat angles C4'-P-C4' energy: -159.880
flat angles P-C4'-P energy: -111.628
tors. eta vs tors. theta energy: -243.623
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: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2584.410212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.410212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.735234 (E_RNA)
where:
Base-Base interactions energy: -1844.314
where: short stacking energy: -743.628
Base-Backbone interact. energy: -1.264
local terms energy: -745.157399
where:
bonds (distance) C4'-P energy: -118.548
bonds (distance) P-C4' energy: -117.100
flat angles C4'-P-C4' energy: -166.634
flat angles P-C4'-P energy: -103.386
tors. eta vs tors. theta energy: -239.489
Dist. restrs. and SS energy: 6.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2476.116652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.116652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.626207 (E_RNA)
where:
Base-Base interactions energy: -1758.004
where: short stacking energy: -726.768
Base-Backbone interact. energy: -1.978
local terms energy: -720.644083
where:
bonds (distance) C4'-P energy: -111.923
bonds (distance) P-C4' energy: -124.478
flat angles C4'-P-C4' energy: -152.213
flat angles P-C4'-P energy: -102.228
tors. eta vs tors. theta energy: -229.801
Dist. restrs. and SS energy: 4.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2381.894109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.894109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.277396 (E_RNA)
where:
Base-Base interactions energy: -1724.448
where: short stacking energy: -693.910
Base-Backbone interact. energy: -2.690
local terms energy: -666.138672
where:
bonds (distance) C4'-P energy: -115.049
bonds (distance) P-C4' energy: -107.478
flat angles C4'-P-C4' energy: -137.923
flat angles P-C4'-P energy: -97.832
tors. eta vs tors. theta energy: -207.858
Dist. restrs. and SS energy: 11.383 (S_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: 365
Temperature: 1.200000
Total energy: -2362.733578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.733578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.511380 (E_RNA)
where:
Base-Base interactions energy: -1701.252
where: short stacking energy: -700.626
Base-Backbone interact. energy: -1.803
local terms energy: -668.456894
where:
bonds (distance) C4'-P energy: -115.191
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -124.356
flat angles P-C4'-P energy: -95.158
tors. eta vs tors. theta energy: -220.598
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: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2207.748087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.748087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.578068 (E_RNA)
where:
Base-Base interactions energy: -1579.859
where: short stacking energy: -637.035
Base-Backbone interact. energy: -4.840
local terms energy: -634.878685
where:
bonds (distance) C4'-P energy: -118.051
bonds (distance) P-C4' energy: -109.962
flat angles C4'-P-C4' energy: -126.903
flat angles P-C4'-P energy: -91.829
tors. eta vs tors. theta energy: -188.134
Dist. restrs. and SS energy: 11.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -2182.338693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.338693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.292327 (E_RNA)
where:
Base-Base interactions energy: -1556.416
where: short stacking energy: -615.655
Base-Backbone interact. energy: 4.337
local terms energy: -648.212911
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -141.069
flat angles P-C4'-P energy: -88.831
tors. eta vs tors. theta energy: -190.772
Dist. restrs. and SS energy: 17.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1904.027616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.027616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.547675 (E_RNA)
where:
Base-Base interactions energy: -1358.818
where: short stacking energy: -526.653
Base-Backbone interact. energy: -1.608
local terms energy: -575.122243
where:
bonds (distance) C4'-P energy: -115.755
bonds (distance) P-C4' energy: -123.583
flat angles C4'-P-C4' energy: -126.211
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -130.384
Dist. restrs. and SS energy: 31.520 (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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2771.909815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.909815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.415799 (E_RNA)
where:
Base-Base interactions energy: -1968.548
where: short stacking energy: -803.883
Base-Backbone interact. energy: -2.067
local terms energy: -808.800747
where:
bonds (distance) C4'-P energy: -140.283
bonds (distance) P-C4' energy: -140.732
flat angles C4'-P-C4' energy: -157.777
flat angles P-C4'-P energy: -120.232
tors. eta vs tors. theta energy: -249.776
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: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2712.020853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.020853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.136590 (E_RNA)
where:
Base-Base interactions energy: -1923.256
where: short stacking energy: -783.641
Base-Backbone interact. energy: -1.378
local terms energy: -794.503095
where:
bonds (distance) C4'-P energy: -135.255
bonds (distance) P-C4' energy: -146.095
flat angles C4'-P-C4' energy: -155.738
flat angles P-C4'-P energy: -110.230
tors. eta vs tors. theta energy: -247.185
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: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2618.793647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.793647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.107283 (E_RNA)
where:
Base-Base interactions energy: -1824.941
where: short stacking energy: -749.286
Base-Backbone interact. energy: -2.005
local terms energy: -795.161411
where:
bonds (distance) C4'-P energy: -136.596
bonds (distance) P-C4' energy: -146.654
flat angles C4'-P-C4' energy: -156.007
flat angles P-C4'-P energy: -122.717
tors. eta vs tors. theta energy: -233.188
Dist. restrs. and SS energy: 3.314 (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: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2609.007324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.007324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.884646 (E_RNA)
where:
Base-Base interactions energy: -1845.314
where: short stacking energy: -752.876
Base-Backbone interact. energy: -1.806
local terms energy: -770.765052
where:
bonds (distance) C4'-P energy: -131.500
bonds (distance) P-C4' energy: -134.986
flat angles C4'-P-C4' energy: -158.480
flat angles P-C4'-P energy: -107.951
tors. eta vs tors. theta energy: -237.848
Dist. restrs. and SS energy: 8.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2493.203764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.203764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.437799 (E_RNA)
where:
Base-Base interactions energy: -1760.236
where: short stacking energy: -718.442
Base-Backbone interact. energy: -4.815
local terms energy: -732.387444
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -127.005
flat angles C4'-P-C4' energy: -154.769
flat angles P-C4'-P energy: -110.610
tors. eta vs tors. theta energy: -227.863
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: 366
Temperature: 1.150000
Total energy: -2394.164534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.164534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.200555 (E_RNA)
where:
Base-Base interactions energy: -1720.254
where: short stacking energy: -708.981
Base-Backbone interact. energy: -2.930
local terms energy: -684.015933
where:
bonds (distance) C4'-P energy: -116.786
bonds (distance) P-C4' energy: -119.277
flat angles C4'-P-C4' energy: -142.372
flat angles P-C4'-P energy: -90.285
tors. eta vs tors. theta energy: -215.296
Dist. restrs. and SS energy: 13.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2348.346035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.346035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.250558 (E_RNA)
where:
Base-Base interactions energy: -1681.043
where: short stacking energy: -665.048
Base-Backbone interact. energy: -2.426
local terms energy: -671.780935
where:
bonds (distance) C4'-P energy: -125.536
bonds (distance) P-C4' energy: -109.323
flat angles C4'-P-C4' energy: -142.170
flat angles P-C4'-P energy: -81.355
tors. eta vs tors. theta energy: -213.397
Dist. restrs. and SS energy: 6.905 (S_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: 366
Temperature: 1.250000
Total energy: -2150.650068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.650068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.307941 (E_RNA)
where:
Base-Base interactions energy: -1535.545
where: short stacking energy: -599.226
Base-Backbone interact. energy: -0.175
local terms energy: -636.588313
where:
bonds (distance) C4'-P energy: -107.539
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -138.229
flat angles P-C4'-P energy: -96.776
tors. eta vs tors. theta energy: -176.268
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: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -2088.671940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.671940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.777312 (E_RNA)
where:
Base-Base interactions energy: -1492.485
where: short stacking energy: -606.467
Base-Backbone interact. energy: 3.005
local terms energy: -625.297176
where:
bonds (distance) C4'-P energy: -109.269
bonds (distance) P-C4' energy: -104.617
flat angles C4'-P-C4' energy: -141.005
flat angles P-C4'-P energy: -78.841
tors. eta vs tors. theta energy: -191.565
Dist. restrs. and SS energy: 26.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1904.073819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.073819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.679154 (E_RNA)
where:
Base-Base interactions energy: -1390.885
where: short stacking energy: -543.331
Base-Backbone interact. energy: 0.642
local terms energy: -531.435930
where:
bonds (distance) C4'-P energy: -103.243
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -101.103
flat angles P-C4'-P energy: -67.789
tors. eta vs tors. theta energy: -149.007
Dist. restrs. and SS energy: 17.605 (S_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: 367
Temperature: 0.900000
Total energy: -2771.857587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.857587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.985193 (E_RNA)
where:
Base-Base interactions energy: -1956.693
where: short stacking energy: -801.345
Base-Backbone interact. energy: -3.938
local terms energy: -819.353485
where:
bonds (distance) C4'-P energy: -136.774
bonds (distance) P-C4' energy: -143.628
flat angles C4'-P-C4' energy: -159.633
flat angles P-C4'-P energy: -127.988
tors. eta vs tors. theta energy: -251.330
Dist. restrs. and SS energy: 8.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2693.326650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.326650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.647643 (E_RNA)
where:
Base-Base interactions energy: -1901.657
where: short stacking energy: -780.970
Base-Backbone interact. energy: 2.260
local terms energy: -800.251217
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -146.421
flat angles C4'-P-C4' energy: -158.662
flat angles P-C4'-P energy: -119.041
tors. eta vs tors. theta energy: -239.229
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2602.538272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.538272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.191697 (E_RNA)
where:
Base-Base interactions energy: -1835.379
where: short stacking energy: -761.552
Base-Backbone interact. energy: -1.264
local terms energy: -769.547938
where:
bonds (distance) C4'-P energy: -134.164
bonds (distance) P-C4' energy: -127.079
flat angles C4'-P-C4' energy: -159.141
flat angles P-C4'-P energy: -113.503
tors. eta vs tors. theta energy: -235.661
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2597.454906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.454906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.094559 (E_RNA)
where:
Base-Base interactions energy: -1868.456
where: short stacking energy: -756.597
Base-Backbone interact. energy: -0.220
local terms energy: -735.418461
where:
bonds (distance) C4'-P energy: -139.000
bonds (distance) P-C4' energy: -112.127
flat angles C4'-P-C4' energy: -151.812
flat angles P-C4'-P energy: -97.949
tors. eta vs tors. theta energy: -234.531
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: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2475.194875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.194875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.842838 (E_RNA)
where:
Base-Base interactions energy: -1765.042
where: short stacking energy: -706.566
Base-Backbone interact. energy: -0.553
local terms energy: -713.247891
where:
bonds (distance) C4'-P energy: -111.965
bonds (distance) P-C4' energy: -124.177
flat angles C4'-P-C4' energy: -138.492
flat angles P-C4'-P energy: -118.379
tors. eta vs tors. theta energy: -220.234
Dist. restrs. and SS energy: 3.648 (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: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2359.270166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.270166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.118862 (E_RNA)
where:
Base-Base interactions energy: -1672.833
where: short stacking energy: -685.321
Base-Backbone interact. energy: -2.222
local terms energy: -697.064326
where:
bonds (distance) C4'-P energy: -129.353
bonds (distance) P-C4' energy: -122.922
flat angles C4'-P-C4' energy: -140.654
flat angles P-C4'-P energy: -87.268
tors. eta vs tors. theta energy: -216.867
Dist. restrs. and SS energy: 12.849 (S_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: 367
Temperature: 1.200000
Total energy: -2341.012012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.012012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.928595 (E_RNA)
where:
Base-Base interactions energy: -1678.255
where: short stacking energy: -676.029
Base-Backbone interact. energy: -1.514
local terms energy: -670.159283
where:
bonds (distance) C4'-P energy: -112.890
bonds (distance) P-C4' energy: -121.122
flat angles C4'-P-C4' energy: -135.601
flat angles P-C4'-P energy: -92.845
tors. eta vs tors. theta energy: -207.702
Dist. restrs. and SS energy: 8.917 (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: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2206.894156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.530217 (E_RNA)
where:
Base-Base interactions energy: -1569.328
where: short stacking energy: -639.899
Base-Backbone interact. energy: -2.221
local terms energy: -641.981546
where:
bonds (distance) C4'-P energy: -111.032
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -126.217
flat angles P-C4'-P energy: -90.969
tors. eta vs tors. theta energy: -210.751
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: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2088.852642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.852642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.036792 (E_RNA)
where:
Base-Base interactions energy: -1457.734
where: short stacking energy: -610.797
Base-Backbone interact. energy: -3.246
local terms energy: -640.057232
where:
bonds (distance) C4'-P energy: -118.451
bonds (distance) P-C4' energy: -112.118
flat angles C4'-P-C4' energy: -136.471
flat angles P-C4'-P energy: -86.262
tors. eta vs tors. theta energy: -186.755
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: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1868.933935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.933935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.514760 (E_RNA)
where:
Base-Base interactions energy: -1325.902
where: short stacking energy: -525.134
Base-Backbone interact. energy: -4.625
local terms energy: -557.987326
where:
bonds (distance) C4'-P energy: -104.335
bonds (distance) P-C4' energy: -120.749
flat angles C4'-P-C4' energy: -105.727
flat angles P-C4'-P energy: -81.566
tors. eta vs tors. theta energy: -145.611
Dist. restrs. and SS energy: 19.581 (S_DIST_RNA)
chem. 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: -2754.900307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.900307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.352500 (E_RNA)
where:
Base-Base interactions energy: -1955.701
where: short stacking energy: -794.992
Base-Backbone interact. energy: -1.627
local terms energy: -804.024888
where:
bonds (distance) C4'-P energy: -137.350
bonds (distance) P-C4' energy: -146.167
flat angles C4'-P-C4' energy: -168.829
flat angles P-C4'-P energy: -105.589
tors. eta vs tors. theta energy: -246.089
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: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2736.352131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.352131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.541759 (E_RNA)
where:
Base-Base interactions energy: -1933.053
where: short stacking energy: -780.888
Base-Backbone interact. energy: -2.455
local terms energy: -810.033582
where:
bonds (distance) C4'-P energy: -138.082
bonds (distance) P-C4' energy: -135.021
flat angles C4'-P-C4' energy: -162.548
flat angles P-C4'-P energy: -122.832
tors. eta vs tors. theta energy: -251.550
Dist. restrs. and SS energy: 9.190 (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: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2603.703689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.703689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.394399 (E_RNA)
where:
Base-Base interactions energy: -1870.126
where: short stacking energy: -760.187
Base-Backbone interact. energy: -2.035
local terms energy: -740.233406
where:
bonds (distance) C4'-P energy: -134.676
bonds (distance) P-C4' energy: -110.429
flat angles C4'-P-C4' energy: -148.473
flat angles P-C4'-P energy: -113.474
tors. eta vs tors. theta energy: -233.181
Dist. restrs. and SS energy: 8.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2552.607609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.140808 (E_RNA)
where:
Base-Base interactions energy: -1812.200
where: short stacking energy: -741.774
Base-Backbone interact. energy: -0.870
local terms energy: -745.071427
where:
bonds (distance) C4'-P energy: -132.123
bonds (distance) P-C4' energy: -126.622
flat angles C4'-P-C4' energy: -148.300
flat angles P-C4'-P energy: -97.910
tors. eta vs tors. theta energy: -240.117
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: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2519.617496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.617496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.791241 (E_RNA)
where:
Base-Base interactions energy: -1783.097
where: short stacking energy: -735.051
Base-Backbone interact. energy: -2.813
local terms energy: -739.880751
where:
bonds (distance) C4'-P energy: -104.192
bonds (distance) P-C4' energy: -145.645
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -114.597
tors. eta vs tors. theta energy: -228.297
Dist. restrs. and SS energy: 6.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2365.624783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.624783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.742720 (E_RNA)
where:
Base-Base interactions energy: -1701.471
where: short stacking energy: -693.174
Base-Backbone interact. energy: 0.007
local terms energy: -676.278092
where:
bonds (distance) C4'-P energy: -107.349
bonds (distance) P-C4' energy: -116.333
flat angles C4'-P-C4' energy: -139.804
flat angles P-C4'-P energy: -103.686
tors. eta vs tors. theta energy: -209.106
Dist. restrs. and SS energy: 12.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2341.268781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.268781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.972446 (E_RNA)
where:
Base-Base interactions energy: -1698.664
where: short stacking energy: -685.427
Base-Backbone interact. energy: -2.502
local terms energy: -645.806484
where:
bonds (distance) C4'-P energy: -117.086
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -139.455
flat angles P-C4'-P energy: -80.081
tors. eta vs tors. theta energy: -197.352
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2242.367356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.367356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.661723 (E_RNA)
where:
Base-Base interactions energy: -1610.512
where: short stacking energy: -658.485
Base-Backbone interact. energy: -3.526
local terms energy: -636.623697
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -140.720
flat angles P-C4'-P energy: -86.499
tors. eta vs tors. theta energy: -207.447
Dist. restrs. and SS energy: 8.294 (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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -2067.650494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.650494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.230179 (E_RNA)
where:
Base-Base interactions energy: -1484.660
where: short stacking energy: -609.855
Base-Backbone interact. energy: -0.227
local terms energy: -603.343091
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -103.873
flat angles C4'-P-C4' energy: -136.676
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -199.083
Dist. restrs. and SS energy: 20.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1890.235239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.235239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.157514 (E_RNA)
where:
Base-Base interactions energy: -1342.225
where: short stacking energy: -552.654
Base-Backbone interact. energy: 1.465
local terms energy: -581.396871
where:
bonds (distance) C4'-P energy: -112.560
bonds (distance) P-C4' energy: -123.738
flat angles C4'-P-C4' energy: -126.886
flat angles P-C4'-P energy: -61.043
tors. eta vs tors. theta energy: -157.169
Dist. restrs. and SS energy: 31.922 (S_DIST_RNA)
chem. 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: -2756.710825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.710825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.370860 (E_RNA)
where:
Base-Base interactions energy: -1972.629
where: short stacking energy: -811.347
Base-Backbone interact. energy: -2.088
local terms energy: -788.654066
where:
bonds (distance) C4'-P energy: -127.056
bonds (distance) P-C4' energy: -142.513
flat angles C4'-P-C4' energy: -166.715
flat angles P-C4'-P energy: -105.809
tors. eta vs tors. theta energy: -246.561
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: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2723.999826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.999826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.717409 (E_RNA)
where:
Base-Base interactions energy: -1936.912
where: short stacking energy: -794.117
Base-Backbone interact. energy: 2.875
local terms energy: -799.680876
where:
bonds (distance) C4'-P energy: -142.271
bonds (distance) P-C4' energy: -141.994
flat angles C4'-P-C4' energy: -160.679
flat angles P-C4'-P energy: -110.332
tors. eta vs tors. theta energy: -244.405
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: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2623.497857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.497857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.130715 (E_RNA)
where:
Base-Base interactions energy: -1861.136
where: short stacking energy: -779.357
Base-Backbone interact. energy: -0.267
local terms energy: -769.726948
where:
bonds (distance) C4'-P energy: -119.627
bonds (distance) P-C4' energy: -137.174
flat angles C4'-P-C4' energy: -161.068
flat angles P-C4'-P energy: -113.369
tors. eta vs tors. theta energy: -238.489
Dist. restrs. and SS energy: 7.633 (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: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2594.570852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.570852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.203509 (E_RNA)
where:
Base-Base interactions energy: -1825.159
where: short stacking energy: -745.617
Base-Backbone interact. energy: 0.010
local terms energy: -773.054570
where:
bonds (distance) C4'-P energy: -147.215
bonds (distance) P-C4' energy: -117.300
flat angles C4'-P-C4' energy: -158.985
flat angles P-C4'-P energy: -109.967
tors. eta vs tors. theta energy: -239.588
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2542.631377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.631377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.261281 (E_RNA)
where:
Base-Base interactions energy: -1792.465
where: short stacking energy: -738.669
Base-Backbone interact. energy: -1.809
local terms energy: -752.987461
where:
bonds (distance) C4'-P energy: -122.182
bonds (distance) P-C4' energy: -126.901
flat angles C4'-P-C4' energy: -159.194
flat angles P-C4'-P energy: -109.589
tors. eta vs tors. theta energy: -235.122
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: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2389.215443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.215443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.667898 (E_RNA)
where:
Base-Base interactions energy: -1683.257
where: short stacking energy: -707.574
Base-Backbone interact. energy: -1.143
local terms energy: -719.268200
where:
bonds (distance) C4'-P energy: -124.462
bonds (distance) P-C4' energy: -114.345
flat angles C4'-P-C4' energy: -149.437
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -230.133
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: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2332.006690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.006690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.977318 (E_RNA)
where:
Base-Base interactions energy: -1663.660
where: short stacking energy: -679.320
Base-Backbone interact. energy: -1.408
local terms energy: -681.909557
where:
bonds (distance) C4'-P energy: -122.207
bonds (distance) P-C4' energy: -120.338
flat angles C4'-P-C4' energy: -136.980
flat angles P-C4'-P energy: -87.052
tors. eta vs tors. theta energy: -215.332
Dist. restrs. and SS energy: 14.971 (S_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: 369
Temperature: 1.250000
Total energy: -2211.812346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.812346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.763184 (E_RNA)
where:
Base-Base interactions energy: -1572.460
where: short stacking energy: -647.996
Base-Backbone interact. energy: -0.788
local terms energy: -649.515343
where:
bonds (distance) C4'-P energy: -123.770
bonds (distance) P-C4' energy: -104.459
flat angles C4'-P-C4' energy: -133.002
flat angles P-C4'-P energy: -95.760
tors. eta vs tors. theta energy: -192.524
Dist. restrs. and SS energy: 10.951 (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: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -2050.511899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.511899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.176664 (E_RNA)
where:
Base-Base interactions energy: -1475.155
where: short stacking energy: -613.470
Base-Backbone interact. energy: -1.438
local terms energy: -595.583007
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -101.791
flat angles C4'-P-C4' energy: -127.551
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -171.151
Dist. restrs. and SS energy: 21.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1912.376465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.376465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.577942 (E_RNA)
where:
Base-Base interactions energy: -1378.074
where: short stacking energy: -572.947
Base-Backbone interact. energy: 4.952
local terms energy: -579.456078
where:
bonds (distance) C4'-P energy: -93.986
bonds (distance) P-C4' energy: -114.733
flat angles C4'-P-C4' energy: -125.303
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: -163.200
Dist. restrs. and SS energy: 40.201 (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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2746.375810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.375810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.044234 (E_RNA)
where:
Base-Base interactions energy: -1944.926
where: short stacking energy: -788.192
Base-Backbone interact. energy: -1.629
local terms energy: -810.488689
where:
bonds (distance) C4'-P energy: -154.399
bonds (distance) P-C4' energy: -134.455
flat angles C4'-P-C4' energy: -157.468
flat angles P-C4'-P energy: -117.397
tors. eta vs tors. theta energy: -246.770
Dist. restrs. and SS energy: 10.668 (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: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2738.924358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.924358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.822032 (E_RNA)
where:
Base-Base interactions energy: -1945.067
where: short stacking energy: -776.652
Base-Backbone interact. energy: 6.240
local terms energy: -805.994160
where:
bonds (distance) C4'-P energy: -128.970
bonds (distance) P-C4' energy: -152.306
flat angles C4'-P-C4' energy: -164.675
flat angles P-C4'-P energy: -111.643
tors. eta vs tors. theta energy: -248.401
Dist. restrs. and SS energy: 5.898 (S_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: 370
Temperature: 1.000000
Total energy: -2595.206988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.206988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.795212 (E_RNA)
where:
Base-Base interactions energy: -1846.926
where: short stacking energy: -766.371
Base-Backbone interact. energy: -2.533
local terms energy: -752.336752
where:
bonds (distance) C4'-P energy: -125.088
bonds (distance) P-C4' energy: -119.175
flat angles C4'-P-C4' energy: -156.760
flat angles P-C4'-P energy: -116.275
tors. eta vs tors. theta energy: -235.039
Dist. restrs. and SS energy: 6.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2597.225785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.225785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.683667 (E_RNA)
where:
Base-Base interactions energy: -1825.067
where: short stacking energy: -751.280
Base-Backbone interact. energy: -0.080
local terms energy: -776.537013
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -121.139
flat angles C4'-P-C4' energy: -165.263
flat angles P-C4'-P energy: -112.401
tors. eta vs tors. theta energy: -246.816
Dist. restrs. and SS energy: 4.458 (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: 370
Temperature: 1.100000
Total energy: -2458.949536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.949536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.124869 (E_RNA)
where:
Base-Base interactions energy: -1769.630
where: short stacking energy: -698.922
Base-Backbone interact. energy: -2.054
local terms energy: -693.440991
where:
bonds (distance) C4'-P energy: -121.380
bonds (distance) P-C4' energy: -121.708
flat angles C4'-P-C4' energy: -142.210
flat angles P-C4'-P energy: -97.717
tors. eta vs tors. theta energy: -210.427
Dist. restrs. and SS energy: 6.175 (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: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2413.043669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.043669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.518234 (E_RNA)
where:
Base-Base interactions energy: -1672.610
where: short stacking energy: -712.160
Base-Backbone interact. energy: -1.944
local terms energy: -753.964434
where:
bonds (distance) C4'-P energy: -142.787
bonds (distance) P-C4' energy: -120.754
flat angles C4'-P-C4' energy: -149.969
flat angles P-C4'-P energy: -100.817
tors. eta vs tors. theta energy: -239.638
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2287.242112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.242112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.380146 (E_RNA)
where:
Base-Base interactions energy: -1620.256
where: short stacking energy: -655.548
Base-Backbone interact. energy: 1.001
local terms energy: -674.125325
where:
bonds (distance) C4'-P energy: -130.717
bonds (distance) P-C4' energy: -115.603
flat angles C4'-P-C4' energy: -127.895
flat angles P-C4'-P energy: -97.637
tors. eta vs tors. theta energy: -202.272
Dist. restrs. and SS energy: 6.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2209.224418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.224418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.580784 (E_RNA)
where:
Base-Base interactions energy: -1593.201
where: short stacking energy: -619.619
Base-Backbone interact. energy: -0.862
local terms energy: -623.517764
where:
bonds (distance) C4'-P energy: -109.934
bonds (distance) P-C4' energy: -110.443
flat angles C4'-P-C4' energy: -129.958
flat angles P-C4'-P energy: -82.770
tors. eta vs tors. theta energy: -190.412
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: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -2072.617537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.617537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.096623 (E_RNA)
where:
Base-Base interactions energy: -1480.532
where: short stacking energy: -595.093
Base-Backbone interact. energy: -1.256
local terms energy: -619.307833
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -113.175
flat angles C4'-P-C4' energy: -142.113
flat angles P-C4'-P energy: -83.695
tors. eta vs tors. theta energy: -170.911
Dist. restrs. and SS energy: 28.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1867.983875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.983875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.213180 (E_RNA)
where:
Base-Base interactions energy: -1343.612
where: short stacking energy: -552.296
Base-Backbone interact. energy: 4.544
local terms energy: -564.145625
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -121.441
flat angles P-C4'-P energy: -65.266
tors. eta vs tors. theta energy: -138.252
Dist. restrs. and SS energy: 35.229 (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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2758.581941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.581941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.892103 (E_RNA)
where:
Base-Base interactions energy: -1928.201
where: short stacking energy: -790.360
Base-Backbone interact. energy: -2.311
local terms energy: -839.380381
where:
bonds (distance) C4'-P energy: -148.975
bonds (distance) P-C4' energy: -147.853
flat angles C4'-P-C4' energy: -164.715
flat angles P-C4'-P energy: -123.359
tors. eta vs tors. theta energy: -254.478
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: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2704.294574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.294574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.989436 (E_RNA)
where:
Base-Base interactions energy: -1920.717
where: short stacking energy: -773.523
Base-Backbone interact. energy: -0.839
local terms energy: -789.433830
where:
bonds (distance) C4'-P energy: -136.284
bonds (distance) P-C4' energy: -150.453
flat angles C4'-P-C4' energy: -148.899
flat angles P-C4'-P energy: -114.436
tors. eta vs tors. theta energy: -239.361
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: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2606.712461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.712461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.647395 (E_RNA)
where:
Base-Base interactions energy: -1831.159
where: short stacking energy: -758.927
Base-Backbone interact. energy: -1.433
local terms energy: -784.055239
where:
bonds (distance) C4'-P energy: -138.400
bonds (distance) P-C4' energy: -133.017
flat angles C4'-P-C4' energy: -154.278
flat angles P-C4'-P energy: -109.354
tors. eta vs tors. theta energy: -249.007
Dist. restrs. and SS energy: 9.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2595.915157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.915157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.779050 (E_RNA)
where:
Base-Base interactions energy: -1816.793
where: short stacking energy: -745.528
Base-Backbone interact. energy: -1.207
local terms energy: -781.779764
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -128.086
flat angles C4'-P-C4' energy: -162.521
flat angles P-C4'-P energy: -127.522
tors. eta vs tors. theta energy: -235.785
Dist. restrs. and SS energy: 3.864 (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: 371
Temperature: 1.100000
Total energy: -2487.235994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.235994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.577337 (E_RNA)
where:
Base-Base interactions energy: -1763.937
where: short stacking energy: -714.890
Base-Backbone interact. energy: -2.009
local terms energy: -730.631546
where:
bonds (distance) C4'-P energy: -122.444
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -157.166
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -224.891
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2427.211541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.211541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.482728 (E_RNA)
where:
Base-Base interactions energy: -1718.422
where: short stacking energy: -686.216
Base-Backbone interact. energy: 0.441
local terms energy: -720.502644
where:
bonds (distance) C4'-P energy: -123.826
bonds (distance) P-C4' energy: -129.082
flat angles C4'-P-C4' energy: -148.874
flat angles P-C4'-P energy: -98.063
tors. eta vs tors. theta energy: -220.657
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: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2312.358034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.358034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.603605 (E_RNA)
where:
Base-Base interactions energy: -1677.860
where: short stacking energy: -668.982
Base-Backbone interact. energy: -0.351
local terms energy: -643.392141
where:
bonds (distance) C4'-P energy: -112.366
bonds (distance) P-C4' energy: -98.527
flat angles C4'-P-C4' energy: -133.539
flat angles P-C4'-P energy: -95.776
tors. eta vs tors. theta energy: -203.185
Dist. restrs. and SS energy: 9.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2223.206809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.206809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.785978 (E_RNA)
where:
Base-Base interactions energy: -1582.819
where: short stacking energy: -627.926
Base-Backbone interact. energy: 0.279
local terms energy: -651.245257
where:
bonds (distance) C4'-P energy: -113.660
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -127.522
flat angles P-C4'-P energy: -92.767
tors. eta vs tors. theta energy: -193.587
Dist. restrs. and SS energy: 10.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -2083.861477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.861477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.286281 (E_RNA)
where:
Base-Base interactions energy: -1477.904
where: short stacking energy: -594.113
Base-Backbone interact. energy: -1.551
local terms energy: -614.831774
where:
bonds (distance) C4'-P energy: -115.944
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -131.592
flat angles P-C4'-P energy: -80.372
tors. eta vs tors. theta energy: -168.475
Dist. restrs. and SS energy: 10.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1916.497336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.497336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.078061 (E_RNA)
where:
Base-Base interactions energy: -1363.143
where: short stacking energy: -523.890
Base-Backbone interact. energy: -0.453
local terms energy: -583.481912
where:
bonds (distance) C4'-P energy: -103.920
bonds (distance) P-C4' energy: -112.189
flat angles C4'-P-C4' energy: -119.783
flat angles P-C4'-P energy: -88.054
tors. eta vs tors. theta energy: -159.537
Dist. restrs. and SS energy: 30.581 (S_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: 372
Temperature: 0.900000
Total energy: -2783.219549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.219549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.669776 (E_RNA)
where:
Base-Base interactions energy: -1967.188
where: short stacking energy: -814.473
Base-Backbone interact. energy: -0.542
local terms energy: -822.940149
where:
bonds (distance) C4'-P energy: -144.615
bonds (distance) P-C4' energy: -144.277
flat angles C4'-P-C4' energy: -173.956
flat angles P-C4'-P energy: -107.486
tors. eta vs tors. theta energy: -252.607
Dist. restrs. and SS energy: 7.450 (S_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: 372
Temperature: 0.950000
Total energy: -2734.379377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.379377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.997856 (E_RNA)
where:
Base-Base interactions energy: -1962.855
where: short stacking energy: -773.277
Base-Backbone interact. energy: -2.224
local terms energy: -775.918777
where:
bonds (distance) C4'-P energy: -135.894
bonds (distance) P-C4' energy: -138.822
flat angles C4'-P-C4' energy: -146.381
flat angles P-C4'-P energy: -114.988
tors. eta vs tors. theta energy: -239.833
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: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2620.233829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.233829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.158441 (E_RNA)
where:
Base-Base interactions energy: -1827.388
where: short stacking energy: -750.394
Base-Backbone interact. energy: -3.947
local terms energy: -797.823724
where:
bonds (distance) C4'-P energy: -135.732
bonds (distance) P-C4' energy: -144.917
flat angles C4'-P-C4' energy: -158.819
flat angles P-C4'-P energy: -116.620
tors. eta vs tors. theta energy: -241.736
Dist. restrs. and SS energy: 8.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2579.183104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.183104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.155102 (E_RNA)
where:
Base-Base interactions energy: -1824.263
where: short stacking energy: -753.930
Base-Backbone interact. energy: -1.159
local terms energy: -757.732619
where:
bonds (distance) C4'-P energy: -121.539
bonds (distance) P-C4' energy: -135.990
flat angles C4'-P-C4' energy: -156.421
flat angles P-C4'-P energy: -113.742
tors. eta vs tors. theta energy: -230.042
Dist. restrs. and SS energy: 3.972 (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: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2556.185707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.185707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.340084 (E_RNA)
where:
Base-Base interactions energy: -1819.494
where: short stacking energy: -750.964
Base-Backbone interact. energy: 0.562
local terms energy: -745.408567
where:
bonds (distance) C4'-P energy: -115.658
bonds (distance) P-C4' energy: -127.816
flat angles C4'-P-C4' energy: -157.275
flat angles P-C4'-P energy: -106.414
tors. eta vs tors. theta energy: -238.246
Dist. restrs. and SS energy: 8.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2457.995608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.995608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.023612 (E_RNA)
where:
Base-Base interactions energy: -1737.355
where: short stacking energy: -697.091
Base-Backbone interact. energy: -1.555
local terms energy: -729.113341
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -151.786
flat angles P-C4'-P energy: -112.724
tors. eta vs tors. theta energy: -226.904
Dist. restrs. and SS energy: 10.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2297.668175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.668175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.635420 (E_RNA)
where:
Base-Base interactions energy: -1664.182
where: short stacking energy: -654.032
Base-Backbone interact. energy: 2.821
local terms energy: -644.274457
where:
bonds (distance) C4'-P energy: -99.226
bonds (distance) P-C4' energy: -115.115
flat angles C4'-P-C4' energy: -143.183
flat angles P-C4'-P energy: -88.213
tors. eta vs tors. theta energy: -198.537
Dist. restrs. and SS energy: 7.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2279.219280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.219280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.721790 (E_RNA)
where:
Base-Base interactions energy: -1624.837
where: short stacking energy: -656.198
Base-Backbone interact. energy: -4.523
local terms energy: -657.361827
where:
bonds (distance) C4'-P energy: -123.595
bonds (distance) P-C4' energy: -103.270
flat angles C4'-P-C4' energy: -137.221
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -195.710
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: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -2088.440918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.440918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.294455 (E_RNA)
where:
Base-Base interactions energy: -1484.280
where: short stacking energy: -603.647
Base-Backbone interact. energy: 0.543
local terms energy: -627.556981
where:
bonds (distance) C4'-P energy: -112.236
bonds (distance) P-C4' energy: -118.691
flat angles C4'-P-C4' energy: -130.527
flat angles P-C4'-P energy: -88.060
tors. eta vs tors. theta energy: -178.042
Dist. restrs. and SS energy: 22.854 (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: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1950.398070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.398070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.673972 (E_RNA)
where:
Base-Base interactions energy: -1401.218
where: short stacking energy: -569.014
Base-Backbone interact. energy: 3.803
local terms energy: -574.258503
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -105.094
flat angles C4'-P-C4' energy: -138.901
flat angles P-C4'-P energy: -73.453
tors. eta vs tors. theta energy: -161.707
Dist. restrs. and SS energy: 21.276 (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: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2789.722823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.722823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.072682 (E_RNA)
where:
Base-Base interactions energy: -1970.297
where: short stacking energy: -813.131
Base-Backbone interact. energy: -1.204
local terms energy: -825.571604
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -152.380
flat angles C4'-P-C4' energy: -169.261
flat angles P-C4'-P energy: -120.501
tors. eta vs tors. theta energy: -255.066
Dist. restrs. and SS energy: 7.350 (S_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: 373
Temperature: 0.950000
Total energy: -2714.165715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.165715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.100084 (E_RNA)
where:
Base-Base interactions energy: -1928.499
where: short stacking energy: -788.667
Base-Backbone interact. energy: -0.642
local terms energy: -790.958745
where:
bonds (distance) C4'-P energy: -133.003
bonds (distance) P-C4' energy: -152.119
flat angles C4'-P-C4' energy: -155.305
flat angles P-C4'-P energy: -110.702
tors. eta vs tors. theta energy: -239.831
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: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2636.184699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.184699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.769760 (E_RNA)
where:
Base-Base interactions energy: -1864.681
where: short stacking energy: -745.593
Base-Backbone interact. energy: -1.567
local terms energy: -776.521776
where:
bonds (distance) C4'-P energy: -133.820
bonds (distance) P-C4' energy: -138.782
flat angles C4'-P-C4' energy: -154.379
flat angles P-C4'-P energy: -115.276
tors. eta vs tors. theta energy: -234.264
Dist. restrs. and SS energy: 6.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2584.397479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.128052 (E_RNA)
where:
Base-Base interactions energy: -1831.331
where: short stacking energy: -743.433
Base-Backbone interact. energy: -1.742
local terms energy: -755.055832
where:
bonds (distance) C4'-P energy: -125.530
bonds (distance) P-C4' energy: -127.661
flat angles C4'-P-C4' energy: -157.228
flat angles P-C4'-P energy: -106.647
tors. eta vs tors. theta energy: -237.990
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2498.663761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.663761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.727344 (E_RNA)
where:
Base-Base interactions energy: -1783.327
where: short stacking energy: -714.192
Base-Backbone interact. energy: -1.331
local terms energy: -719.069461
where:
bonds (distance) C4'-P energy: -115.783
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -157.208
flat angles P-C4'-P energy: -83.556
tors. eta vs tors. theta energy: -227.040
Dist. restrs. and SS energy: 5.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2469.174316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.174316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.310296 (E_RNA)
where:
Base-Base interactions energy: -1761.200
where: short stacking energy: -704.759
Base-Backbone interact. energy: -1.547
local terms energy: -716.562543
where:
bonds (distance) C4'-P energy: -142.788
bonds (distance) P-C4' energy: -114.014
flat angles C4'-P-C4' energy: -141.471
flat angles P-C4'-P energy: -97.418
tors. eta vs tors. theta energy: -220.873
Dist. restrs. and SS energy: 10.136 (S_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: 373
Temperature: 1.200000
Total energy: -2302.309755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.309755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.924207 (E_RNA)
where:
Base-Base interactions energy: -1638.051
where: short stacking energy: -654.467
Base-Backbone interact. energy: -2.133
local terms energy: -671.740917
where:
bonds (distance) C4'-P energy: -110.847
bonds (distance) P-C4' energy: -120.501
flat angles C4'-P-C4' energy: -143.559
flat angles P-C4'-P energy: -94.812
tors. eta vs tors. theta energy: -202.022
Dist. restrs. and SS energy: 9.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2227.317196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.317196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.454758 (E_RNA)
where:
Base-Base interactions energy: -1549.329
where: short stacking energy: -620.998
Base-Backbone interact. energy: -1.445
local terms energy: -689.680317
where:
bonds (distance) C4'-P energy: -120.775
bonds (distance) P-C4' energy: -118.894
flat angles C4'-P-C4' energy: -148.176
flat angles P-C4'-P energy: -104.635
tors. eta vs tors. theta energy: -197.201
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: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -2095.449017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.449017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.488141 (E_RNA)
where:
Base-Base interactions energy: -1491.583
where: short stacking energy: -603.937
Base-Backbone interact. energy: -1.375
local terms energy: -618.530809
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -123.188
flat angles C4'-P-C4' energy: -129.773
flat angles P-C4'-P energy: -87.484
tors. eta vs tors. theta energy: -185.183
Dist. restrs. and SS energy: 16.039 (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: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1973.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.985566 (E_RNA)
where:
Base-Base interactions energy: -1430.275
where: short stacking energy: -590.885
Base-Backbone interact. energy: -1.884
local terms energy: -572.826924
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -85.392
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -74.147
tors. eta vs tors. theta energy: -184.342
Dist. restrs. and SS energy: 31.132 (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: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2756.347531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.347531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.153367 (E_RNA)
where:
Base-Base interactions energy: -1939.478
where: short stacking energy: -800.345
Base-Backbone interact. energy: -4.624
local terms energy: -820.051524
where:
bonds (distance) C4'-P energy: -139.179
bonds (distance) P-C4' energy: -139.335
flat angles C4'-P-C4' energy: -166.341
flat angles P-C4'-P energy: -114.100
tors. eta vs tors. theta energy: -261.096
Dist. restrs. and SS energy: 7.806 (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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2722.103496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.103496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.004798 (E_RNA)
where:
Base-Base interactions energy: -1929.167
where: short stacking energy: -794.689
Base-Backbone interact. energy: -4.541
local terms energy: -796.297192
where:
bonds (distance) C4'-P energy: -144.388
bonds (distance) P-C4' energy: -138.018
flat angles C4'-P-C4' energy: -164.182
flat angles P-C4'-P energy: -101.505
tors. eta vs tors. theta energy: -248.204
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2601.313979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.313979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.708111 (E_RNA)
where:
Base-Base interactions energy: -1825.241
where: short stacking energy: -735.060
Base-Backbone interact. energy: -1.589
local terms energy: -781.877459
where:
bonds (distance) C4'-P energy: -122.850
bonds (distance) P-C4' energy: -153.539
flat angles C4'-P-C4' energy: -160.182
flat angles P-C4'-P energy: -111.303
tors. eta vs tors. theta energy: -234.003
Dist. restrs. and SS energy: 7.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2589.194125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.194125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.946922 (E_RNA)
where:
Base-Base interactions energy: -1832.734
where: short stacking energy: -764.560
Base-Backbone interact. energy: -1.774
local terms energy: -760.439517
where:
bonds (distance) C4'-P energy: -119.651
bonds (distance) P-C4' energy: -137.568
flat angles C4'-P-C4' energy: -154.901
flat angles P-C4'-P energy: -107.462
tors. eta vs tors. theta energy: -240.858
Dist. restrs. and SS energy: 5.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2490.521227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.521227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.919054 (E_RNA)
where:
Base-Base interactions energy: -1760.163
where: short stacking energy: -709.573
Base-Backbone interact. energy: -0.207
local terms energy: -734.548690
where:
bonds (distance) C4'-P energy: -116.833
bonds (distance) P-C4' energy: -123.951
flat angles C4'-P-C4' energy: -154.283
flat angles P-C4'-P energy: -127.491
tors. eta vs tors. theta energy: -211.991
Dist. restrs. and SS energy: 4.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2420.501380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.501380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.647822 (E_RNA)
where:
Base-Base interactions energy: -1728.668
where: short stacking energy: -710.752
Base-Backbone interact. energy: 4.904
local terms energy: -709.883266
where:
bonds (distance) C4'-P energy: -117.731
bonds (distance) P-C4' energy: -120.709
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -223.409
Dist. restrs. and SS energy: 13.146 (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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2326.257286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.257286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.421113 (E_RNA)
where:
Base-Base interactions energy: -1665.745
where: short stacking energy: -682.612
Base-Backbone interact. energy: -2.345
local terms energy: -665.330746
where:
bonds (distance) C4'-P energy: -98.121
bonds (distance) P-C4' energy: -114.969
flat angles C4'-P-C4' energy: -151.258
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -213.214
Dist. restrs. and SS energy: 7.164 (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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2217.831807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.831807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.007916 (E_RNA)
where:
Base-Base interactions energy: -1578.086
where: short stacking energy: -633.112
Base-Backbone interact. energy: -3.843
local terms energy: -640.079333
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -115.589
flat angles C4'-P-C4' energy: -125.503
flat angles P-C4'-P energy: -101.786
tors. eta vs tors. theta energy: -190.516
Dist. restrs. and SS energy: 4.176 (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: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -2008.760879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.760879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.118316 (E_RNA)
where:
Base-Base interactions energy: -1431.217
where: short stacking energy: -580.895
Base-Backbone interact. energy: -2.939
local terms energy: -598.962475
where:
bonds (distance) C4'-P energy: -85.770
bonds (distance) P-C4' energy: -114.485
flat angles C4'-P-C4' energy: -137.390
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -183.917
Dist. restrs. and SS energy: 24.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -2021.133168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.133168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.794584 (E_RNA)
where:
Base-Base interactions energy: -1454.053
where: short stacking energy: -567.242
Base-Backbone interact. energy: -3.182
local terms energy: -578.560045
where:
bonds (distance) C4'-P energy: -103.965
bonds (distance) P-C4' energy: -105.961
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -85.008
tors. eta vs tors. theta energy: -170.255
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: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2736.911783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.911783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.987811 (E_RNA)
where:
Base-Base interactions energy: -1949.722
where: short stacking energy: -805.262
Base-Backbone interact. energy: -2.923
local terms energy: -791.343220
where:
bonds (distance) C4'-P energy: -126.648
bonds (distance) P-C4' energy: -132.069
flat angles C4'-P-C4' energy: -159.555
flat angles P-C4'-P energy: -124.343
tors. eta vs tors. theta energy: -248.728
Dist. restrs. and SS energy: 7.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2664.937956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.937956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.071640 (E_RNA)
where:
Base-Base interactions energy: -1883.001
where: short stacking energy: -778.945
Base-Backbone interact. energy: 2.211
local terms energy: -791.281747
where:
bonds (distance) C4'-P energy: -134.223
bonds (distance) P-C4' energy: -150.196
flat angles C4'-P-C4' energy: -157.576
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -241.580
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: 3, replica: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2670.817318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.817318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.771314 (E_RNA)
where:
Base-Base interactions energy: -1920.336
where: short stacking energy: -780.165
Base-Backbone interact. energy: -2.104
local terms energy: -756.331159
where:
bonds (distance) C4'-P energy: -124.118
bonds (distance) P-C4' energy: -131.948
flat angles C4'-P-C4' energy: -156.651
flat angles P-C4'-P energy: -101.366
tors. eta vs tors. theta energy: -242.248
Dist. restrs. and SS energy: 7.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2533.561668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.561668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.350195 (E_RNA)
where:
Base-Base interactions energy: -1777.493
where: short stacking energy: -729.532
Base-Backbone interact. energy: -2.578
local terms energy: -758.279225
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -132.150
flat angles C4'-P-C4' energy: -159.942
flat angles P-C4'-P energy: -113.384
tors. eta vs tors. theta energy: -227.589
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: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2547.023051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.023051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.971369 (E_RNA)
where:
Base-Base interactions energy: -1801.002
where: short stacking energy: -736.406
Base-Backbone interact. energy: -2.071
local terms energy: -749.898276
where:
bonds (distance) C4'-P energy: -139.189
bonds (distance) P-C4' energy: -116.299
flat angles C4'-P-C4' energy: -142.916
flat angles P-C4'-P energy: -114.735
tors. eta vs tors. theta energy: -236.759
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: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2397.812544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.812544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.193974 (E_RNA)
where:
Base-Base interactions energy: -1683.595
where: short stacking energy: -693.574
Base-Backbone interact. energy: -0.484
local terms energy: -723.115123
where:
bonds (distance) C4'-P energy: -137.802
bonds (distance) P-C4' energy: -128.084
flat angles C4'-P-C4' energy: -153.398
flat angles P-C4'-P energy: -93.296
tors. eta vs tors. theta energy: -210.536
Dist. restrs. and SS energy: 9.381 (S_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: 375
Temperature: 1.200000
Total energy: -2345.111749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.111749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.074752 (E_RNA)
where:
Base-Base interactions energy: -1666.346
where: short stacking energy: -687.620
Base-Backbone interact. energy: 0.228
local terms energy: -685.956760
where:
bonds (distance) C4'-P energy: -119.047
bonds (distance) P-C4' energy: -102.011
flat angles C4'-P-C4' energy: -151.172
flat angles P-C4'-P energy: -103.128
tors. eta vs tors. theta energy: -210.599
Dist. restrs. and SS energy: 6.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2237.915747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.915747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.680987 (E_RNA)
where:
Base-Base interactions energy: -1612.121
where: short stacking energy: -637.821
Base-Backbone interact. energy: 5.924
local terms energy: -641.484284
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -119.367
flat angles C4'-P-C4' energy: -148.142
flat angles P-C4'-P energy: -78.138
tors. eta vs tors. theta energy: -191.878
Dist. restrs. and SS energy: 9.765 (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: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -2024.991006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.991006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.937224 (E_RNA)
where:
Base-Base interactions energy: -1430.147
where: short stacking energy: -568.381
Base-Backbone interact. energy: -1.001
local terms energy: -621.789124
where:
bonds (distance) C4'-P energy: -117.945
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -112.129
flat angles P-C4'-P energy: -87.237
tors. eta vs tors. theta energy: -191.224
Dist. restrs. and SS energy: 27.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1980.693983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.693983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.204425 (E_RNA)
where:
Base-Base interactions energy: -1406.392
where: short stacking energy: -560.870
Base-Backbone interact. energy: -4.373
local terms energy: -588.439705
where:
bonds (distance) C4'-P energy: -100.529
bonds (distance) P-C4' energy: -116.249
flat angles C4'-P-C4' energy: -135.257
flat angles P-C4'-P energy: -64.861
tors. eta vs tors. theta energy: -171.543
Dist. restrs. and SS energy: 18.510 (S_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: 376
Temperature: 0.900000
Total energy: -2755.979161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.979161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.466502 (E_RNA)
where:
Base-Base interactions energy: -1951.010
where: short stacking energy: -809.756
Base-Backbone interact. energy: 2.057
local terms energy: -813.513041
where:
bonds (distance) C4'-P energy: -147.787
bonds (distance) P-C4' energy: -148.418
flat angles C4'-P-C4' energy: -161.245
flat angles P-C4'-P energy: -104.791
tors. eta vs tors. theta energy: -251.271
Dist. restrs. and SS energy: 6.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2666.832187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.832187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.004550 (E_RNA)
where:
Base-Base interactions energy: -1868.725
where: short stacking energy: -797.442
Base-Backbone interact. energy: -1.620
local terms energy: -805.659430
where:
bonds (distance) C4'-P energy: -129.559
bonds (distance) P-C4' energy: -148.702
flat angles C4'-P-C4' energy: -164.369
flat angles P-C4'-P energy: -116.706
tors. eta vs tors. theta energy: -246.323
Dist. restrs. and SS energy: 9.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2659.754897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.754897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.405374 (E_RNA)
where:
Base-Base interactions energy: -1895.746
where: short stacking energy: -755.650
Base-Backbone interact. energy: -3.916
local terms energy: -767.743272
where:
bonds (distance) C4'-P energy: -125.896
bonds (distance) P-C4' energy: -124.507
flat angles C4'-P-C4' energy: -151.363
flat angles P-C4'-P energy: -118.602
tors. eta vs tors. theta energy: -247.375
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: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2593.028077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.028077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.093077 (E_RNA)
where:
Base-Base interactions energy: -1839.976
where: short stacking energy: -744.508
Base-Backbone interact. energy: -2.275
local terms energy: -754.842754
where:
bonds (distance) C4'-P energy: -141.163
bonds (distance) P-C4' energy: -121.693
flat angles C4'-P-C4' energy: -158.649
flat angles P-C4'-P energy: -108.256
tors. eta vs tors. theta energy: -225.082
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: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2525.081020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.081020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.848716 (E_RNA)
where:
Base-Base interactions energy: -1798.985
where: short stacking energy: -736.943
Base-Backbone interact. energy: 0.034
local terms energy: -730.897980
where:
bonds (distance) C4'-P energy: -141.065
bonds (distance) P-C4' energy: -107.060
flat angles C4'-P-C4' energy: -147.278
flat angles P-C4'-P energy: -101.153
tors. eta vs tors. theta energy: -234.343
Dist. restrs. and SS energy: 4.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2423.295054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.295054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.055071 (E_RNA)
where:
Base-Base interactions energy: -1745.245
where: short stacking energy: -719.678
Base-Backbone interact. energy: 1.637
local terms energy: -690.447223
where:
bonds (distance) C4'-P energy: -117.194
bonds (distance) P-C4' energy: -106.187
flat angles C4'-P-C4' energy: -147.402
flat angles P-C4'-P energy: -97.027
tors. eta vs tors. theta energy: -222.637
Dist. restrs. and SS energy: 10.760 (S_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: 376
Temperature: 1.200000
Total energy: -2335.017208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.017208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.195873 (E_RNA)
where:
Base-Base interactions energy: -1676.823
where: short stacking energy: -688.370
Base-Backbone interact. energy: 0.014
local terms energy: -667.387603
where:
bonds (distance) C4'-P energy: -110.667
bonds (distance) P-C4' energy: -117.724
flat angles C4'-P-C4' energy: -155.398
flat angles P-C4'-P energy: -73.706
tors. eta vs tors. theta energy: -209.893
Dist. restrs. and SS energy: 9.179 (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: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2230.335307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.335307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.537598 (E_RNA)
where:
Base-Base interactions energy: -1588.794
where: short stacking energy: -631.499
Base-Backbone interact. energy: -1.497
local terms energy: -651.246748
where:
bonds (distance) C4'-P energy: -117.943
bonds (distance) P-C4' energy: -105.924
flat angles C4'-P-C4' energy: -129.126
flat angles P-C4'-P energy: -104.132
tors. eta vs tors. theta energy: -194.122
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: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -2024.480575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.480575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.609044 (E_RNA)
where:
Base-Base interactions energy: -1455.782
where: short stacking energy: -587.190
Base-Backbone interact. energy: 1.759
local terms energy: -583.585358
where:
bonds (distance) C4'-P energy: -122.301
bonds (distance) P-C4' energy: -94.473
flat angles C4'-P-C4' energy: -121.822
flat angles P-C4'-P energy: -71.613
tors. eta vs tors. theta energy: -173.377
Dist. restrs. and SS energy: 13.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1976.965402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.544680 (E_RNA)
where:
Base-Base interactions energy: -1391.548
where: short stacking energy: -579.225
Base-Backbone interact. energy: 6.147
local terms energy: -610.143978
where:
bonds (distance) C4'-P energy: -107.128
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -128.093
flat angles P-C4'-P energy: -98.195
tors. eta vs tors. theta energy: -162.253
Dist. restrs. and SS energy: 18.579 (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: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2785.658370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.658370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.336106 (E_RNA)
where:
Base-Base interactions energy: -1989.709
where: short stacking energy: -816.597
Base-Backbone interact. energy: 1.628
local terms energy: -804.255136
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -121.403
flat angles C4'-P-C4' energy: -169.282
flat angles P-C4'-P energy: -120.166
tors. eta vs tors. theta energy: -252.346
Dist. restrs. and SS energy: 6.678 (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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2701.035052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.035052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.696966 (E_RNA)
where:
Base-Base interactions energy: -1929.357
where: short stacking energy: -782.159
Base-Backbone interact. energy: 0.891
local terms energy: -780.230892
where:
bonds (distance) C4'-P energy: -127.461
bonds (distance) P-C4' energy: -139.391
flat angles C4'-P-C4' energy: -166.431
flat angles P-C4'-P energy: -105.515
tors. eta vs tors. theta energy: -241.432
Dist. restrs. and SS energy: 7.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2611.094979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.094979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.028471 (E_RNA)
where:
Base-Base interactions energy: -1851.850
where: short stacking energy: -770.581
Base-Backbone interact. energy: -0.021
local terms energy: -769.157996
where:
bonds (distance) C4'-P energy: -142.955
bonds (distance) P-C4' energy: -126.428
flat angles C4'-P-C4' energy: -154.773
flat angles P-C4'-P energy: -110.189
tors. eta vs tors. theta energy: -234.813
Dist. restrs. and SS energy: 9.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2593.696669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.696669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.089802 (E_RNA)
where:
Base-Base interactions energy: -1835.890
where: short stacking energy: -744.616
Base-Backbone interact. energy: -1.921
local terms energy: -760.279273
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -147.462
flat angles C4'-P-C4' energy: -148.866
flat angles P-C4'-P energy: -111.535
tors. eta vs tors. theta energy: -232.324
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: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2547.045938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.045938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.961300 (E_RNA)
where:
Base-Base interactions energy: -1813.558
where: short stacking energy: -740.961
Base-Backbone interact. energy: -2.739
local terms energy: -735.663354
where:
bonds (distance) C4'-P energy: -116.730
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -152.323
flat angles P-C4'-P energy: -109.455
tors. eta vs tors. theta energy: -231.426
Dist. restrs. and SS energy: 4.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2438.653340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.653340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.237356 (E_RNA)
where:
Base-Base interactions energy: -1753.408
where: short stacking energy: -709.646
Base-Backbone interact. energy: -0.040
local terms energy: -696.789223
where:
bonds (distance) C4'-P energy: -101.080
bonds (distance) P-C4' energy: -120.106
flat angles C4'-P-C4' energy: -143.397
flat angles P-C4'-P energy: -103.634
tors. eta vs tors. theta energy: -228.574
Dist. restrs. and SS energy: 11.584 (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: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2325.106770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.106770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.483838 (E_RNA)
where:
Base-Base interactions energy: -1661.793
where: short stacking energy: -663.793
Base-Backbone interact. energy: 1.041
local terms energy: -671.731413
where:
bonds (distance) C4'-P energy: -110.558
bonds (distance) P-C4' energy: -113.688
flat angles C4'-P-C4' energy: -148.380
flat angles P-C4'-P energy: -95.248
tors. eta vs tors. theta energy: -203.858
Dist. restrs. and SS energy: 7.377 (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: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2254.913827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.913827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.751761 (E_RNA)
where:
Base-Base interactions energy: -1609.371
where: short stacking energy: -649.693
Base-Backbone interact. energy: 0.907
local terms energy: -653.288045
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -144.399
flat angles P-C4'-P energy: -90.378
tors. eta vs tors. theta energy: -201.068
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: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1987.427553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.427553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.740242 (E_RNA)
where:
Base-Base interactions energy: -1422.212
where: short stacking energy: -586.199
Base-Backbone interact. energy: -0.829
local terms energy: -586.699074
where:
bonds (distance) C4'-P energy: -93.423
bonds (distance) P-C4' energy: -114.942
flat angles C4'-P-C4' energy: -120.624
flat angles P-C4'-P energy: -82.647
tors. eta vs tors. theta energy: -175.063
Dist. restrs. and SS energy: 22.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1982.641482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.641482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.508707 (E_RNA)
where:
Base-Base interactions energy: -1418.593
where: short stacking energy: -561.870
Base-Backbone interact. energy: -2.197
local terms energy: -587.719500
where:
bonds (distance) C4'-P energy: -108.424
bonds (distance) P-C4' energy: -103.078
flat angles C4'-P-C4' energy: -122.156
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -173.596
Dist. restrs. and SS energy: 25.867 (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: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2765.763547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.763547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.572502 (E_RNA)
where:
Base-Base interactions energy: -1952.149
where: short stacking energy: -782.478
Base-Backbone interact. energy: 1.415
local terms energy: -822.838636
where:
bonds (distance) C4'-P energy: -127.252
bonds (distance) P-C4' energy: -145.860
flat angles C4'-P-C4' energy: -175.935
flat angles P-C4'-P energy: -120.460
tors. eta vs tors. theta energy: -253.332
Dist. restrs. and SS energy: 7.809 (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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2742.789172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.789172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.368883 (E_RNA)
where:
Base-Base interactions energy: -1965.978
where: short stacking energy: -816.053
Base-Backbone interact. energy: -1.389
local terms energy: -783.002147
where:
bonds (distance) C4'-P energy: -132.239
bonds (distance) P-C4' energy: -140.242
flat angles C4'-P-C4' energy: -165.386
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -246.517
Dist. restrs. and SS energy: 7.580 (S_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: 378
Temperature: 1.000000
Total energy: -2607.117048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.117048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.809625 (E_RNA)
where:
Base-Base interactions energy: -1855.785
where: short stacking energy: -764.413
Base-Backbone interact. energy: -0.797
local terms energy: -760.227972
where:
bonds (distance) C4'-P energy: -126.549
bonds (distance) P-C4' energy: -135.725
flat angles C4'-P-C4' energy: -149.086
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -242.022
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2600.238926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.238926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.503462 (E_RNA)
where:
Base-Base interactions energy: -1879.883
where: short stacking energy: -767.279
Base-Backbone interact. energy: -5.200
local terms energy: -718.420746
where:
bonds (distance) C4'-P energy: -114.316
bonds (distance) P-C4' energy: -119.713
flat angles C4'-P-C4' energy: -147.884
flat angles P-C4'-P energy: -118.803
tors. eta vs tors. theta energy: -217.706
Dist. restrs. and SS energy: 3.265 (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: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2526.594103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.594103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.091807 (E_RNA)
where:
Base-Base interactions energy: -1801.965
where: short stacking energy: -724.471
Base-Backbone interact. energy: -0.927
local terms energy: -727.199620
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -126.731
flat angles C4'-P-C4' energy: -149.449
flat angles P-C4'-P energy: -103.037
tors. eta vs tors. theta energy: -234.155
Dist. restrs. and SS energy: 3.498 (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: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2428.227279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.227279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.771742 (E_RNA)
where:
Base-Base interactions energy: -1695.226
where: short stacking energy: -682.393
Base-Backbone interact. energy: -2.239
local terms energy: -740.307044
where:
bonds (distance) C4'-P energy: -118.217
bonds (distance) P-C4' energy: -135.925
flat angles C4'-P-C4' energy: -158.527
flat angles P-C4'-P energy: -104.545
tors. eta vs tors. theta energy: -223.093
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: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2298.842541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.842541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.857270 (E_RNA)
where:
Base-Base interactions energy: -1653.795
where: short stacking energy: -656.950
Base-Backbone interact. energy: 0.476
local terms energy: -651.537477
where:
bonds (distance) C4'-P energy: -100.307
bonds (distance) P-C4' energy: -125.767
flat angles C4'-P-C4' energy: -144.817
flat angles P-C4'-P energy: -87.889
tors. eta vs tors. theta energy: -192.758
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2249.047635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.047635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.531353 (E_RNA)
where:
Base-Base interactions energy: -1628.820
where: short stacking energy: -633.490
Base-Backbone interact. energy: 0.015
local terms energy: -627.726448
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -112.533
flat angles C4'-P-C4' energy: -140.256
flat angles P-C4'-P energy: -86.248
tors. eta vs tors. theta energy: -190.123
Dist. restrs. and SS energy: 7.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -2034.896019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.896019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.291144 (E_RNA)
where:
Base-Base interactions energy: -1466.350
where: short stacking energy: -598.342
Base-Backbone interact. energy: 1.297
local terms energy: -591.238100
where:
bonds (distance) C4'-P energy: -109.782
bonds (distance) P-C4' energy: -102.141
flat angles C4'-P-C4' energy: -129.340
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: -174.778
Dist. restrs. and SS energy: 21.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1999.082995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.082995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.268349 (E_RNA)
where:
Base-Base interactions energy: -1426.820
where: short stacking energy: -573.812
Base-Backbone interact. energy: 2.040
local terms energy: -595.488537
where:
bonds (distance) C4'-P energy: -117.342
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -79.166
tors. eta vs tors. theta energy: -170.651
Dist. restrs. and SS energy: 21.185 (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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2750.185838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.185838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.056998 (E_RNA)
where:
Base-Base interactions energy: -1947.533
where: short stacking energy: -794.822
Base-Backbone interact. energy: -0.786
local terms energy: -809.737474
where:
bonds (distance) C4'-P energy: -140.163
bonds (distance) P-C4' energy: -141.716
flat angles C4'-P-C4' energy: -156.654
flat angles P-C4'-P energy: -119.227
tors. eta vs tors. theta energy: -251.977
Dist. restrs. and SS energy: 7.871 (S_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: 379
Temperature: 0.950000
Total energy: -2748.837494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.837494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.931844 (E_RNA)
where:
Base-Base interactions energy: -1942.180
where: short stacking energy: -796.227
Base-Backbone interact. energy: -1.645
local terms energy: -811.107077
where:
bonds (distance) C4'-P energy: -131.112
bonds (distance) P-C4' energy: -142.095
flat angles C4'-P-C4' energy: -155.286
flat angles P-C4'-P energy: -126.767
tors. eta vs tors. theta energy: -255.848
Dist. restrs. and SS energy: 6.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2635.384607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.384607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.710720 (E_RNA)
where:
Base-Base interactions energy: -1825.269
where: short stacking energy: -778.833
Base-Backbone interact. energy: -2.362
local terms energy: -817.080308
where:
bonds (distance) C4'-P energy: -147.705
bonds (distance) P-C4' energy: -130.494
flat angles C4'-P-C4' energy: -164.645
flat angles P-C4'-P energy: -116.748
tors. eta vs tors. theta energy: -257.489
Dist. restrs. and SS energy: 9.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2572.215674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.215674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.149292 (E_RNA)
where:
Base-Base interactions energy: -1853.710
where: short stacking energy: -748.825
Base-Backbone interact. energy: -2.347
local terms energy: -720.092696
where:
bonds (distance) C4'-P energy: -132.453
bonds (distance) P-C4' energy: -118.570
flat angles C4'-P-C4' energy: -151.372
flat angles P-C4'-P energy: -101.765
tors. eta vs tors. theta energy: -215.932
Dist. restrs. and SS energy: 3.934 (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: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2527.961849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.961849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.743617 (E_RNA)
where:
Base-Base interactions energy: -1799.277
where: short stacking energy: -745.743
Base-Backbone interact. energy: 1.090
local terms energy: -734.556818
where:
bonds (distance) C4'-P energy: -111.724
bonds (distance) P-C4' energy: -126.313
flat angles C4'-P-C4' energy: -154.794
flat angles P-C4'-P energy: -94.564
tors. eta vs tors. theta energy: -247.162
Dist. restrs. and SS energy: 4.782 (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: 379
Temperature: 1.150000
Total energy: -2442.315465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.315465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.134145 (E_RNA)
where:
Base-Base interactions energy: -1721.562
where: short stacking energy: -694.220
Base-Backbone interact. energy: 1.326
local terms energy: -729.898074
where:
bonds (distance) C4'-P energy: -129.153
bonds (distance) P-C4' energy: -130.940
flat angles C4'-P-C4' energy: -144.364
flat angles P-C4'-P energy: -105.228
tors. eta vs tors. theta energy: -220.212
Dist. restrs. and SS energy: 7.819 (S_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: 379
Temperature: 1.200000
Total energy: -2302.041405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.041405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.950026 (E_RNA)
where:
Base-Base interactions energy: -1636.663
where: short stacking energy: -667.681
Base-Backbone interact. energy: -0.389
local terms energy: -675.898226
where:
bonds (distance) C4'-P energy: -121.725
bonds (distance) P-C4' energy: -125.051
flat angles C4'-P-C4' energy: -146.186
flat angles P-C4'-P energy: -84.087
tors. eta vs tors. theta energy: -198.849
Dist. restrs. and SS energy: 10.909 (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: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2241.080053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.080053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.928377 (E_RNA)
where:
Base-Base interactions energy: -1580.790
where: short stacking energy: -636.558
Base-Backbone interact. energy: -1.508
local terms energy: -667.630441
where:
bonds (distance) C4'-P energy: -120.518
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -142.796
flat angles P-C4'-P energy: -101.831
tors. eta vs tors. theta energy: -205.822
Dist. restrs. and SS energy: 8.848 (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: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -2071.583983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.583983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.774479 (E_RNA)
where:
Base-Base interactions energy: -1495.380
where: short stacking energy: -582.320
Base-Backbone interact. energy: -1.514
local terms energy: -589.880258
where:
bonds (distance) C4'-P energy: -106.401
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -122.312
flat angles P-C4'-P energy: -77.304
tors. eta vs tors. theta energy: -175.253
Dist. restrs. and SS energy: 15.190 (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: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -2013.718043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.718043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.402040 (E_RNA)
where:
Base-Base interactions energy: -1423.610
where: short stacking energy: -577.691
Base-Backbone interact. energy: -0.013
local terms energy: -619.778402
where:
bonds (distance) C4'-P energy: -111.484
bonds (distance) P-C4' energy: -110.697
flat angles C4'-P-C4' energy: -129.379
flat angles P-C4'-P energy: -97.410
tors. eta vs tors. theta energy: -170.808
Dist. restrs. and SS energy: 29.684 (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: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2733.808024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.808024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.106223 (E_RNA)
where:
Base-Base interactions energy: -1937.310
where: short stacking energy: -784.804
Base-Backbone interact. energy: -2.829
local terms energy: -801.966825
where:
bonds (distance) C4'-P energy: -134.919
bonds (distance) P-C4' energy: -128.641
flat angles C4'-P-C4' energy: -171.219
flat angles P-C4'-P energy: -121.442
tors. eta vs tors. theta energy: -245.746
Dist. restrs. and SS energy: 8.298 (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: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2731.159902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.159902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.181482 (E_RNA)
where:
Base-Base interactions energy: -1933.187
where: short stacking energy: -801.874
Base-Backbone interact. energy: -3.475
local terms energy: -802.518978
where:
bonds (distance) C4'-P energy: -134.615
bonds (distance) P-C4' energy: -143.073
flat angles C4'-P-C4' energy: -165.653
flat angles P-C4'-P energy: -117.262
tors. eta vs tors. theta energy: -241.916
Dist. restrs. and SS energy: 8.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2651.573667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.573667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.574792 (E_RNA)
where:
Base-Base interactions energy: -1881.371
where: short stacking energy: -779.838
Base-Backbone interact. energy: -0.609
local terms energy: -778.594825
where:
bonds (distance) C4'-P energy: -135.964
bonds (distance) P-C4' energy: -134.293
flat angles C4'-P-C4' energy: -158.438
flat angles P-C4'-P energy: -111.461
tors. eta vs tors. theta energy: -238.439
Dist. restrs. and SS energy: 9.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2589.666057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.666057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.854468 (E_RNA)
where:
Base-Base interactions energy: -1848.397
where: short stacking energy: -764.883
Base-Backbone interact. energy: -1.986
local terms energy: -743.471390
where:
bonds (distance) C4'-P energy: -132.526
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -159.419
flat angles P-C4'-P energy: -92.516
tors. eta vs tors. theta energy: -233.870
Dist. restrs. and SS energy: 4.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2554.106390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.106390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.718994 (E_RNA)
where:
Base-Base interactions energy: -1788.465
where: short stacking energy: -733.607
Base-Backbone interact. energy: -2.092
local terms energy: -768.162685
where:
bonds (distance) C4'-P energy: -133.074
bonds (distance) P-C4' energy: -139.879
flat angles C4'-P-C4' energy: -151.008
flat angles P-C4'-P energy: -111.794
tors. eta vs tors. theta energy: -232.407
Dist. restrs. and SS energy: 4.613 (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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2409.219496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.219496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.866831 (E_RNA)
where:
Base-Base interactions energy: -1698.521
where: short stacking energy: -692.174
Base-Backbone interact. energy: -3.635
local terms energy: -719.710535
where:
bonds (distance) C4'-P energy: -126.206
bonds (distance) P-C4' energy: -116.681
flat angles C4'-P-C4' energy: -155.612
flat angles P-C4'-P energy: -101.906
tors. eta vs tors. theta energy: -219.304
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: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2352.892274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.892274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.779840 (E_RNA)
where:
Base-Base interactions energy: -1669.310
where: short stacking energy: -682.700
Base-Backbone interact. energy: -3.758
local terms energy: -685.712075
where:
bonds (distance) C4'-P energy: -117.814
bonds (distance) P-C4' energy: -117.256
flat angles C4'-P-C4' energy: -150.286
flat angles P-C4'-P energy: -85.177
tors. eta vs tors. theta energy: -215.179
Dist. restrs. and SS energy: 5.888 (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: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2233.015551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.015551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.120756 (E_RNA)
where:
Base-Base interactions energy: -1614.292
where: short stacking energy: -637.510
Base-Backbone interact. energy: 4.391
local terms energy: -634.220104
where:
bonds (distance) C4'-P energy: -110.079
bonds (distance) P-C4' energy: -112.067
flat angles C4'-P-C4' energy: -131.517
flat angles P-C4'-P energy: -85.169
tors. eta vs tors. theta energy: -195.387
Dist. restrs. and SS energy: 11.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -2110.563085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.563085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.003873 (E_RNA)
where:
Base-Base interactions energy: -1533.823
where: short stacking energy: -622.418
Base-Backbone interact. energy: 3.707
local terms energy: -599.887170
where:
bonds (distance) C4'-P energy: -107.956
bonds (distance) P-C4' energy: -96.594
flat angles C4'-P-C4' energy: -121.213
flat angles P-C4'-P energy: -82.897
tors. eta vs tors. theta energy: -191.227
Dist. restrs. and SS energy: 19.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1953.031041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.031041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.944203 (E_RNA)
where:
Base-Base interactions energy: -1386.324
where: short stacking energy: -577.280
Base-Backbone interact. energy: -1.946
local terms energy: -591.674901
where:
bonds (distance) C4'-P energy: -105.520
bonds (distance) P-C4' energy: -100.743
flat angles C4'-P-C4' energy: -120.502
flat angles P-C4'-P energy: -90.051
tors. eta vs tors. theta energy: -174.859
Dist. restrs. and SS energy: 26.913 (S_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: 381
Temperature: 0.900000
Total energy: -2735.762735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.762735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.840282 (E_RNA)
where:
Base-Base interactions energy: -1932.726
where: short stacking energy: -778.413
Base-Backbone interact. energy: -4.269
local terms energy: -806.845066
where:
bonds (distance) C4'-P energy: -133.313
bonds (distance) P-C4' energy: -152.225
flat angles C4'-P-C4' energy: -159.957
flat angles P-C4'-P energy: -116.013
tors. eta vs tors. theta energy: -245.337
Dist. restrs. and SS energy: 8.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2724.268879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.268879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.142293 (E_RNA)
where:
Base-Base interactions energy: -1911.540
where: short stacking energy: -782.812
Base-Backbone interact. energy: -1.136
local terms energy: -820.466771
where:
bonds (distance) C4'-P energy: -138.325
bonds (distance) P-C4' energy: -148.329
flat angles C4'-P-C4' energy: -166.344
flat angles P-C4'-P energy: -126.258
tors. eta vs tors. theta energy: -241.210
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: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2648.552707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.552707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.102539 (E_RNA)
where:
Base-Base interactions energy: -1874.893
where: short stacking energy: -772.616
Base-Backbone interact. energy: -2.156
local terms energy: -779.053684
where:
bonds (distance) C4'-P energy: -138.190
bonds (distance) P-C4' energy: -138.731
flat angles C4'-P-C4' energy: -152.369
flat angles P-C4'-P energy: -114.107
tors. eta vs tors. theta energy: -235.656
Dist. restrs. and SS energy: 7.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2593.606477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.606477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.960428 (E_RNA)
where:
Base-Base interactions energy: -1829.016
where: short stacking energy: -755.555
Base-Backbone interact. energy: -1.877
local terms energy: -769.067313
where:
bonds (distance) C4'-P energy: -134.018
bonds (distance) P-C4' energy: -128.007
flat angles C4'-P-C4' energy: -156.771
flat angles P-C4'-P energy: -110.791
tors. eta vs tors. theta energy: -239.480
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: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2510.143341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.143341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.193824 (E_RNA)
where:
Base-Base interactions energy: -1795.982
where: short stacking energy: -736.797
Base-Backbone interact. energy: 0.162
local terms energy: -719.373403
where:
bonds (distance) C4'-P energy: -118.439
bonds (distance) P-C4' energy: -129.601
flat angles C4'-P-C4' energy: -150.802
flat angles P-C4'-P energy: -109.185
tors. eta vs tors. theta energy: -211.347
Dist. restrs. and SS energy: 5.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2430.954153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.954153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.270146 (E_RNA)
where:
Base-Base interactions energy: -1713.073
where: short stacking energy: -698.780
Base-Backbone interact. energy: -2.228
local terms energy: -722.968737
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -119.927
flat angles C4'-P-C4' energy: -152.434
flat angles P-C4'-P energy: -98.743
tors. eta vs tors. theta energy: -232.808
Dist. restrs. and SS energy: 7.316 (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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2362.569833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.569833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.536963 (E_RNA)
where:
Base-Base interactions energy: -1653.307
where: short stacking energy: -662.584
Base-Backbone interact. energy: -0.753
local terms energy: -714.476411
where:
bonds (distance) C4'-P energy: -123.592
bonds (distance) P-C4' energy: -122.445
flat angles C4'-P-C4' energy: -155.028
flat angles P-C4'-P energy: -92.129
tors. eta vs tors. theta energy: -221.282
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: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2215.204520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.204520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.241871 (E_RNA)
where:
Base-Base interactions energy: -1596.892
where: short stacking energy: -657.556
Base-Backbone interact. energy: 4.675
local terms energy: -636.025396
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -133.581
flat angles P-C4'-P energy: -86.803
tors. eta vs tors. theta energy: -192.879
Dist. restrs. and SS energy: 13.037 (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: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -2049.044406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.044406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.303036 (E_RNA)
where:
Base-Base interactions energy: -1468.339
where: short stacking energy: -581.037
Base-Backbone interact. energy: -1.886
local terms energy: -595.078360
where:
bonds (distance) C4'-P energy: -102.183
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -141.220
flat angles P-C4'-P energy: -82.110
tors. eta vs tors. theta energy: -175.077
Dist. restrs. and SS energy: 16.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1928.788406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.788406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.118094 (E_RNA)
where:
Base-Base interactions energy: -1360.234
where: short stacking energy: -532.472
Base-Backbone interact. energy: -1.974
local terms energy: -587.910448
where:
bonds (distance) C4'-P energy: -106.357
bonds (distance) P-C4' energy: -101.264
flat angles C4'-P-C4' energy: -130.814
flat angles P-C4'-P energy: -92.302
tors. eta vs tors. theta energy: -157.173
Dist. restrs. and SS energy: 21.330 (S_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: 382
Temperature: 0.900000
Total energy: -2750.134618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.134618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.101446 (E_RNA)
where:
Base-Base interactions energy: -1940.886
where: short stacking energy: -804.179
Base-Backbone interact. energy: -0.882
local terms energy: -815.332785
where:
bonds (distance) C4'-P energy: -143.085
bonds (distance) P-C4' energy: -148.272
flat angles C4'-P-C4' energy: -161.042
flat angles P-C4'-P energy: -120.572
tors. eta vs tors. theta energy: -242.363
Dist. restrs. and SS energy: 6.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2730.284496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.284496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.621438 (E_RNA)
where:
Base-Base interactions energy: -1938.756
where: short stacking energy: -795.769
Base-Backbone interact. energy: -2.394
local terms energy: -795.471807
where:
bonds (distance) C4'-P energy: -132.692
bonds (distance) P-C4' energy: -140.222
flat angles C4'-P-C4' energy: -160.573
flat angles P-C4'-P energy: -111.553
tors. eta vs tors. theta energy: -250.432
Dist. restrs. and SS energy: 6.337 (S_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: 382
Temperature: 1.000000
Total energy: -2619.114765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.114765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.185420 (E_RNA)
where:
Base-Base interactions energy: -1870.568
where: short stacking energy: -752.657
Base-Backbone interact. energy: -1.871
local terms energy: -753.746499
where:
bonds (distance) C4'-P energy: -140.484
bonds (distance) P-C4' energy: -119.869
flat angles C4'-P-C4' energy: -151.836
flat angles P-C4'-P energy: -107.372
tors. eta vs tors. theta energy: -234.185
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2537.463843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.463843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.303133 (E_RNA)
where:
Base-Base interactions energy: -1808.016
where: short stacking energy: -737.737
Base-Backbone interact. energy: 1.403
local terms energy: -735.690047
where:
bonds (distance) C4'-P energy: -134.667
bonds (distance) P-C4' energy: -123.536
flat angles C4'-P-C4' energy: -149.606
flat angles P-C4'-P energy: -95.977
tors. eta vs tors. theta energy: -231.904
Dist. restrs. and SS energy: 4.839 (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: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2530.707348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.707348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.328027 (E_RNA)
where:
Base-Base interactions energy: -1784.577
where: short stacking energy: -742.778
Base-Backbone interact. energy: -4.259
local terms energy: -747.491748
where:
bonds (distance) C4'-P energy: -122.846
bonds (distance) P-C4' energy: -143.278
flat angles C4'-P-C4' energy: -154.097
flat angles P-C4'-P energy: -90.704
tors. eta vs tors. theta energy: -236.566
Dist. restrs. and SS energy: 5.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2409.748499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.748499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.373648 (E_RNA)
where:
Base-Base interactions energy: -1734.756
where: short stacking energy: -691.980
Base-Backbone interact. energy: -0.016
local terms energy: -685.601622
where:
bonds (distance) C4'-P energy: -105.998
bonds (distance) P-C4' energy: -124.555
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -105.649
tors. eta vs tors. theta energy: -211.313
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2368.569743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.569743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.375833 (E_RNA)
where:
Base-Base interactions energy: -1682.912
where: short stacking energy: -668.979
Base-Backbone interact. energy: -3.817
local terms energy: -689.647258
where:
bonds (distance) C4'-P energy: -105.149
bonds (distance) P-C4' energy: -134.749
flat angles C4'-P-C4' energy: -143.318
flat angles P-C4'-P energy: -91.768
tors. eta vs tors. theta energy: -214.663
Dist. restrs. and SS energy: 7.806 (S_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: 382
Temperature: 1.250000
Total energy: -2172.039326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.039326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.811706 (E_RNA)
where:
Base-Base interactions energy: -1566.661
where: short stacking energy: -613.190
Base-Backbone interact. energy: -0.304
local terms energy: -619.847010
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -110.992
flat angles C4'-P-C4' energy: -147.041
flat angles P-C4'-P energy: -76.591
tors. eta vs tors. theta energy: -186.962
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: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -2106.579898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.579898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.111413 (E_RNA)
where:
Base-Base interactions energy: -1494.360
where: short stacking energy: -608.082
Base-Backbone interact. energy: -4.612
local terms energy: -622.139446
where:
bonds (distance) C4'-P energy: -101.896
bonds (distance) P-C4' energy: -112.235
flat angles C4'-P-C4' energy: -131.118
flat angles P-C4'-P energy: -96.034
tors. eta vs tors. theta energy: -180.856
Dist. restrs. and SS energy: 14.532 (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: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1956.813606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.813606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.267839 (E_RNA)
where:
Base-Base interactions energy: -1396.800
where: short stacking energy: -529.665
Base-Backbone interact. energy: -3.483
local terms energy: -576.984653
where:
bonds (distance) C4'-P energy: -89.689
bonds (distance) P-C4' energy: -104.241
flat angles C4'-P-C4' energy: -129.446
flat angles P-C4'-P energy: -81.869
tors. eta vs tors. theta energy: -171.740
Dist. restrs. and SS energy: 20.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2772.676406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.676406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.418773 (E_RNA)
where:
Base-Base interactions energy: -1968.295
where: short stacking energy: -812.200
Base-Backbone interact. energy: -2.558
local terms energy: -807.566357
where:
bonds (distance) C4'-P energy: -134.031
bonds (distance) P-C4' energy: -146.374
flat angles C4'-P-C4' energy: -169.031
flat angles P-C4'-P energy: -108.489
tors. eta vs tors. theta energy: -249.641
Dist. restrs. and SS energy: 5.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2705.123963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.123963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.198115 (E_RNA)
where:
Base-Base interactions energy: -1922.225
where: short stacking energy: -773.828
Base-Backbone interact. energy: -2.400
local terms energy: -786.573110
where:
bonds (distance) C4'-P energy: -126.371
bonds (distance) P-C4' energy: -147.679
flat angles C4'-P-C4' energy: -158.648
flat angles P-C4'-P energy: -107.857
tors. eta vs tors. theta energy: -246.019
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: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2634.459388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.459388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.304295 (E_RNA)
where:
Base-Base interactions energy: -1883.725
where: short stacking energy: -772.924
Base-Backbone interact. energy: -0.866
local terms energy: -757.713251
where:
bonds (distance) C4'-P energy: -133.085
bonds (distance) P-C4' energy: -127.002
flat angles C4'-P-C4' energy: -145.786
flat angles P-C4'-P energy: -116.828
tors. eta vs tors. theta energy: -235.013
Dist. restrs. and SS energy: 7.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2591.645820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.645820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.105443 (E_RNA)
where:
Base-Base interactions energy: -1839.050
where: short stacking energy: -740.834
Base-Backbone interact. energy: -3.447
local terms energy: -752.609150
where:
bonds (distance) C4'-P energy: -131.906
bonds (distance) P-C4' energy: -121.095
flat angles C4'-P-C4' energy: -162.842
flat angles P-C4'-P energy: -100.611
tors. eta vs tors. theta energy: -236.155
Dist. restrs. and SS energy: 3.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2520.565208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.565208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.463371 (E_RNA)
where:
Base-Base interactions energy: -1790.734
where: short stacking energy: -739.561
Base-Backbone interact. energy: 1.866
local terms energy: -735.595155
where:
bonds (distance) C4'-P energy: -127.197
bonds (distance) P-C4' energy: -113.430
flat angles C4'-P-C4' energy: -153.276
flat angles P-C4'-P energy: -102.675
tors. eta vs tors. theta energy: -239.017
Dist. restrs. and SS energy: 3.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2400.687063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.687063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.950595 (E_RNA)
where:
Base-Base interactions energy: -1734.070
where: short stacking energy: -715.572
Base-Backbone interact. energy: -1.288
local terms energy: -677.592411
where:
bonds (distance) C4'-P energy: -103.969
bonds (distance) P-C4' energy: -120.385
flat angles C4'-P-C4' energy: -145.240
flat angles P-C4'-P energy: -89.476
tors. eta vs tors. theta energy: -218.523
Dist. restrs. and SS energy: 12.264 (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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2353.366113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.366113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.073052 (E_RNA)
where:
Base-Base interactions energy: -1699.078
where: short stacking energy: -684.605
Base-Backbone interact. energy: 1.250
local terms energy: -668.245256
where:
bonds (distance) C4'-P energy: -107.945
bonds (distance) P-C4' energy: -102.608
flat angles C4'-P-C4' energy: -152.352
flat angles P-C4'-P energy: -92.045
tors. eta vs tors. theta energy: -213.295
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: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2158.925227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.925227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.873372 (E_RNA)
where:
Base-Base interactions energy: -1537.222
where: short stacking energy: -627.245
Base-Backbone interact. energy: -2.914
local terms energy: -632.737792
where:
bonds (distance) C4'-P energy: -98.212
bonds (distance) P-C4' energy: -107.777
flat angles C4'-P-C4' energy: -132.993
flat angles P-C4'-P energy: -96.015
tors. eta vs tors. theta energy: -197.740
Dist. restrs. and SS energy: 13.948 (S_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: 383
Temperature: 1.300000
Total energy: -2098.694528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.694528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.449337 (E_RNA)
where:
Base-Base interactions energy: -1499.624
where: short stacking energy: -582.840
Base-Backbone interact. energy: -1.175
local terms energy: -609.651068
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -122.932
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -88.821
tors. eta vs tors. theta energy: -183.919
Dist. restrs. and SS energy: 11.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1918.114463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.114463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.237121 (E_RNA)
where:
Base-Base interactions energy: -1385.211
where: short stacking energy: -528.936
Base-Backbone interact. energy: 0.753
local terms energy: -562.779275
where:
bonds (distance) C4'-P energy: -110.065
bonds (distance) P-C4' energy: -106.837
flat angles C4'-P-C4' energy: -117.751
flat angles P-C4'-P energy: -73.194
tors. eta vs tors. theta energy: -154.933
Dist. restrs. and SS energy: 29.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2762.687999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.687999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.984200 (E_RNA)
where:
Base-Base interactions energy: -1947.240
where: short stacking energy: -828.567
Base-Backbone interact. energy: 2.746
local terms energy: -825.490092
where:
bonds (distance) C4'-P energy: -146.959
bonds (distance) P-C4' energy: -143.616
flat angles C4'-P-C4' energy: -172.638
flat angles P-C4'-P energy: -113.309
tors. eta vs tors. theta energy: -248.967
Dist. restrs. and SS energy: 7.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2715.287215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.287215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.495893 (E_RNA)
where:
Base-Base interactions energy: -1930.448
where: short stacking energy: -799.302
Base-Backbone interact. energy: 3.680
local terms energy: -794.728147
where:
bonds (distance) C4'-P energy: -136.956
bonds (distance) P-C4' energy: -140.486
flat angles C4'-P-C4' energy: -158.361
flat angles P-C4'-P energy: -103.546
tors. eta vs tors. theta energy: -255.379
Dist. restrs. and SS energy: 6.209 (S_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: 384
Temperature: 1.000000
Total energy: -2674.958208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.958208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.592173 (E_RNA)
where:
Base-Base interactions energy: -1909.563
where: short stacking energy: -790.608
Base-Backbone interact. energy: -2.832
local terms energy: -772.197066
where:
bonds (distance) C4'-P energy: -117.486
bonds (distance) P-C4' energy: -137.144
flat angles C4'-P-C4' energy: -163.953
flat angles P-C4'-P energy: -103.628
tors. eta vs tors. theta energy: -249.985
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: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2578.274224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.274224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.970134 (E_RNA)
where:
Base-Base interactions energy: -1844.515
where: short stacking energy: -743.363
Base-Backbone interact. energy: -2.861
local terms energy: -734.593447
where:
bonds (distance) C4'-P energy: -112.909
bonds (distance) P-C4' energy: -131.969
flat angles C4'-P-C4' energy: -150.960
flat angles P-C4'-P energy: -108.130
tors. eta vs tors. theta energy: -230.626
Dist. restrs. and SS energy: 3.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2560.678037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.678037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.412279 (E_RNA)
where:
Base-Base interactions energy: -1787.264
where: short stacking energy: -739.920
Base-Backbone interact. energy: 0.483
local terms energy: -777.631271
where:
bonds (distance) C4'-P energy: -136.090
bonds (distance) P-C4' energy: -147.669
flat angles C4'-P-C4' energy: -149.392
flat angles P-C4'-P energy: -104.096
tors. eta vs tors. theta energy: -240.384
Dist. restrs. and SS energy: 3.734 (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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2373.524024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.524024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.144231 (E_RNA)
where:
Base-Base interactions energy: -1680.272
where: short stacking energy: -674.993
Base-Backbone interact. energy: -2.225
local terms energy: -698.646570
where:
bonds (distance) C4'-P energy: -118.806
bonds (distance) P-C4' energy: -125.897
flat angles C4'-P-C4' energy: -146.256
flat angles P-C4'-P energy: -100.098
tors. eta vs tors. theta energy: -207.590
Dist. restrs. and SS energy: 7.620 (S_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: 384
Temperature: 1.200000
Total energy: -2357.666479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.666479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.680462 (E_RNA)
where:
Base-Base interactions energy: -1668.023
where: short stacking energy: -672.897
Base-Backbone interact. energy: -2.324
local terms energy: -700.332844
where:
bonds (distance) C4'-P energy: -118.354
bonds (distance) P-C4' energy: -131.765
flat angles C4'-P-C4' energy: -154.973
flat angles P-C4'-P energy: -83.349
tors. eta vs tors. theta energy: -211.892
Dist. restrs. and SS energy: 13.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2143.970243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.970243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.980143 (E_RNA)
where:
Base-Base interactions energy: -1539.207
where: short stacking energy: -601.175
Base-Backbone interact. energy: 4.793
local terms energy: -626.565784
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -121.013
flat angles C4'-P-C4' energy: -138.009
flat angles P-C4'-P energy: -73.575
tors. eta vs tors. theta energy: -182.207
Dist. restrs. and SS energy: 17.010 (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: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -2135.520381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.520381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.227028 (E_RNA)
where:
Base-Base interactions energy: -1504.666
where: short stacking energy: -614.138
Base-Backbone interact. energy: 1.887
local terms energy: -645.448690
where:
bonds (distance) C4'-P energy: -105.361
bonds (distance) P-C4' energy: -113.527
flat angles C4'-P-C4' energy: -148.968
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -197.492
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1927.194551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.194551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.350697 (E_RNA)
where:
Base-Base interactions energy: -1371.434
where: short stacking energy: -546.439
Base-Backbone interact. energy: -1.696
local terms energy: -575.221193
where:
bonds (distance) C4'-P energy: -106.945
bonds (distance) P-C4' energy: -100.608
flat angles C4'-P-C4' energy: -134.189
flat angles P-C4'-P energy: -69.901
tors. eta vs tors. theta energy: -163.579
Dist. restrs. and SS energy: 21.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2771.821641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.821641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.447385 (E_RNA)
where:
Base-Base interactions energy: -1981.235
where: short stacking energy: -818.813
Base-Backbone interact. energy: -1.386
local terms energy: -796.825827
where:
bonds (distance) C4'-P energy: -135.177
bonds (distance) P-C4' energy: -146.820
flat angles C4'-P-C4' energy: -161.221
flat angles P-C4'-P energy: -107.659
tors. eta vs tors. theta energy: -245.949
Dist. restrs. and SS energy: 7.626 (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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2700.735506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.735506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.065320 (E_RNA)
where:
Base-Base interactions energy: -1918.139
where: short stacking energy: -781.403
Base-Backbone interact. energy: 3.903
local terms energy: -795.829305
where:
bonds (distance) C4'-P energy: -132.334
bonds (distance) P-C4' energy: -136.807
flat angles C4'-P-C4' energy: -160.426
flat angles P-C4'-P energy: -123.479
tors. eta vs tors. theta energy: -242.782
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2639.312725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.312725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.175963 (E_RNA)
where:
Base-Base interactions energy: -1889.796
where: short stacking energy: -768.760
Base-Backbone interact. energy: 1.393
local terms energy: -757.772748
where:
bonds (distance) C4'-P energy: -124.093
bonds (distance) P-C4' energy: -136.994
flat angles C4'-P-C4' energy: -156.180
flat angles P-C4'-P energy: -104.198
tors. eta vs tors. theta energy: -236.308
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: 385
Temperature: 1.050000
Total energy: -2609.156053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.156053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.709885 (E_RNA)
where:
Base-Base interactions energy: -1850.261
where: short stacking energy: -762.427
Base-Backbone interact. energy: 1.911
local terms energy: -765.359016
where:
bonds (distance) C4'-P energy: -113.803
bonds (distance) P-C4' energy: -144.361
flat angles C4'-P-C4' energy: -150.734
flat angles P-C4'-P energy: -106.887
tors. eta vs tors. theta energy: -249.574
Dist. restrs. and SS energy: 4.554 (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: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2549.993568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.993568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.712144 (E_RNA)
where:
Base-Base interactions energy: -1825.617
where: short stacking energy: -745.487
Base-Backbone interact. energy: 5.265
local terms energy: -734.359235
where:
bonds (distance) C4'-P energy: -122.805
bonds (distance) P-C4' energy: -116.214
flat angles C4'-P-C4' energy: -155.826
flat angles P-C4'-P energy: -115.889
tors. eta vs tors. theta energy: -223.626
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: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2421.899003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.899003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.725773 (E_RNA)
where:
Base-Base interactions energy: -1741.255
where: short stacking energy: -716.792
Base-Backbone interact. energy: -1.899
local terms energy: -691.571807
where:
bonds (distance) C4'-P energy: -91.982
bonds (distance) P-C4' energy: -103.156
flat angles C4'-P-C4' energy: -152.020
flat angles P-C4'-P energy: -115.237
tors. eta vs tors. theta energy: -229.176
Dist. restrs. and SS energy: 12.827 (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: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2361.400401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.400401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.638647 (E_RNA)
where:
Base-Base interactions energy: -1714.798
where: short stacking energy: -687.050
Base-Backbone interact. energy: 2.617
local terms energy: -659.458321
where:
bonds (distance) C4'-P energy: -112.598
bonds (distance) P-C4' energy: -87.535
flat angles C4'-P-C4' energy: -149.838
flat angles P-C4'-P energy: -97.885
tors. eta vs tors. theta energy: -211.603
Dist. restrs. and SS energy: 10.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2154.773715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.773715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.209290 (E_RNA)
where:
Base-Base interactions energy: -1541.625
where: short stacking energy: -637.530
Base-Backbone interact. energy: -2.149
local terms energy: -624.435427
where:
bonds (distance) C4'-P energy: -103.585
bonds (distance) P-C4' energy: -104.690
flat angles C4'-P-C4' energy: -142.300
flat angles P-C4'-P energy: -78.551
tors. eta vs tors. theta energy: -195.309
Dist. restrs. and SS energy: 13.436 (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: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -2098.733625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.733625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.739929 (E_RNA)
where:
Base-Base interactions energy: -1508.689
where: short stacking energy: -602.402
Base-Backbone interact. energy: 0.134
local terms energy: -606.184753
where:
bonds (distance) C4'-P energy: -112.113
bonds (distance) P-C4' energy: -105.454
flat angles C4'-P-C4' energy: -136.643
flat angles P-C4'-P energy: -72.779
tors. eta vs tors. theta energy: -179.196
Dist. restrs. and SS energy: 16.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1971.457727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.457727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.423433 (E_RNA)
where:
Base-Base interactions energy: -1403.521
where: short stacking energy: -547.070
Base-Backbone interact. energy: -2.323
local terms energy: -587.579111
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -111.561
flat angles C4'-P-C4' energy: -120.917
flat angles P-C4'-P energy: -88.433
tors. eta vs tors. theta energy: -165.900
Dist. restrs. and SS energy: 21.966 (S_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: 386
Temperature: 0.900000
Total energy: -2749.829173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.829173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.023491 (E_RNA)
where:
Base-Base interactions energy: -1950.166
where: short stacking energy: -785.259
Base-Backbone interact. energy: -0.599
local terms energy: -805.258249
where:
bonds (distance) C4'-P energy: -146.720
bonds (distance) P-C4' energy: -144.715
flat angles C4'-P-C4' energy: -165.042
flat angles P-C4'-P energy: -108.923
tors. eta vs tors. theta energy: -239.858
Dist. restrs. and SS energy: 6.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2719.328507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.328507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.091956 (E_RNA)
where:
Base-Base interactions energy: -1911.780
where: short stacking energy: -799.061
Base-Backbone interact. energy: -1.751
local terms energy: -815.560768
where:
bonds (distance) C4'-P energy: -128.034
bonds (distance) P-C4' energy: -147.851
flat angles C4'-P-C4' energy: -162.384
flat angles P-C4'-P energy: -119.214
tors. eta vs tors. theta energy: -258.078
Dist. restrs. and SS energy: 9.763 (S_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: 386
Temperature: 1.000000
Total energy: -2666.416412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.416412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.626273 (E_RNA)
where:
Base-Base interactions energy: -1876.877
where: short stacking energy: -748.692
Base-Backbone interact. energy: -3.496
local terms energy: -792.253453
where:
bonds (distance) C4'-P energy: -132.997
bonds (distance) P-C4' energy: -133.744
flat angles C4'-P-C4' energy: -173.072
flat angles P-C4'-P energy: -122.818
tors. eta vs tors. theta energy: -229.623
Dist. restrs. and SS energy: 6.210 (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: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2621.499096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.499096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.812163 (E_RNA)
where:
Base-Base interactions energy: -1839.696
where: short stacking energy: -763.406
Base-Backbone interact. energy: -1.462
local terms energy: -786.654167
where:
bonds (distance) C4'-P energy: -126.682
bonds (distance) P-C4' energy: -144.188
flat angles C4'-P-C4' energy: -154.331
flat angles P-C4'-P energy: -105.804
tors. eta vs tors. theta energy: -255.648
Dist. restrs. and SS energy: 6.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2519.309872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.309872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.762727 (E_RNA)
where:
Base-Base interactions energy: -1789.114
where: short stacking energy: -735.599
Base-Backbone interact. energy: -0.484
local terms energy: -733.164363
where:
bonds (distance) C4'-P energy: -114.065
bonds (distance) P-C4' energy: -117.724
flat angles C4'-P-C4' energy: -157.958
flat angles P-C4'-P energy: -112.199
tors. eta vs tors. theta energy: -231.218
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: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2424.252181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.252181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.517139 (E_RNA)
where:
Base-Base interactions energy: -1698.957
where: short stacking energy: -699.576
Base-Backbone interact. energy: 0.291
local terms energy: -740.851219
where:
bonds (distance) C4'-P energy: -136.777
bonds (distance) P-C4' energy: -130.358
flat angles C4'-P-C4' energy: -140.660
flat angles P-C4'-P energy: -115.557
tors. eta vs tors. theta energy: -217.499
Dist. restrs. and SS energy: 15.265 (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: 386
Temperature: 1.200000
Total energy: -2387.130024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.130024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.225683 (E_RNA)
where:
Base-Base interactions energy: -1700.033
where: short stacking energy: -707.477
Base-Backbone interact. energy: -2.168
local terms energy: -697.025591
where:
bonds (distance) C4'-P energy: -117.024
bonds (distance) P-C4' energy: -116.680
flat angles C4'-P-C4' energy: -146.361
flat angles P-C4'-P energy: -95.064
tors. eta vs tors. theta energy: -221.897
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: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2211.298584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.298584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.122222 (E_RNA)
where:
Base-Base interactions energy: -1592.799
where: short stacking energy: -685.457
Base-Backbone interact. energy: 0.769
local terms energy: -637.092475
where:
bonds (distance) C4'-P energy: -119.602
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -144.102
flat angles P-C4'-P energy: -85.423
tors. eta vs tors. theta energy: -208.981
Dist. restrs. and SS energy: 17.824 (S_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: 386
Temperature: 1.300000
Total energy: -2166.593943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.593943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.977168 (E_RNA)
where:
Base-Base interactions energy: -1541.012
where: short stacking energy: -634.033
Base-Backbone interact. energy: 2.665
local terms energy: -640.630265
where:
bonds (distance) C4'-P energy: -109.121
bonds (distance) P-C4' energy: -124.232
flat angles C4'-P-C4' energy: -131.916
flat angles P-C4'-P energy: -84.903
tors. eta vs tors. theta energy: -190.459
Dist. restrs. and SS energy: 12.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1955.851909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.851909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.104505 (E_RNA)
where:
Base-Base interactions energy: -1426.842
where: short stacking energy: -583.491
Base-Backbone interact. energy: 6.145
local terms energy: -565.407444
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -124.027
flat angles P-C4'-P energy: -66.806
tors. eta vs tors. theta energy: -160.016
Dist. restrs. and SS energy: 30.253 (S_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: 387
Temperature: 0.900000
Total energy: -2765.318508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.318508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.586310 (E_RNA)
where:
Base-Base interactions energy: -1966.657
where: short stacking energy: -809.717
Base-Backbone interact. energy: -3.404
local terms energy: -802.525555
where:
bonds (distance) C4'-P energy: -136.764
bonds (distance) P-C4' energy: -143.797
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -117.213
tors. eta vs tors. theta energy: -241.296
Dist. restrs. and SS energy: 7.268 (S_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: 387
Temperature: 0.950000
Total energy: -2741.119543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.119543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.622164 (E_RNA)
where:
Base-Base interactions energy: -1949.267
where: short stacking energy: -801.857
Base-Backbone interact. energy: -0.559
local terms energy: -798.795953
where:
bonds (distance) C4'-P energy: -152.196
bonds (distance) P-C4' energy: -133.621
flat angles C4'-P-C4' energy: -159.874
flat angles P-C4'-P energy: -108.149
tors. eta vs tors. theta energy: -244.955
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: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2697.088242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.088242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.156758 (E_RNA)
where:
Base-Base interactions energy: -1937.368
where: short stacking energy: -802.809
Base-Backbone interact. energy: 0.756
local terms energy: -767.544022
where:
bonds (distance) C4'-P energy: -128.369
bonds (distance) P-C4' energy: -136.951
flat angles C4'-P-C4' energy: -147.929
flat angles P-C4'-P energy: -109.036
tors. eta vs tors. theta energy: -245.258
Dist. restrs. and SS energy: 7.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2610.403990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.403990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.426285 (E_RNA)
where:
Base-Base interactions energy: -1854.159
where: short stacking energy: -781.513
Base-Backbone interact. energy: -1.549
local terms energy: -757.717833
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -129.044
flat angles C4'-P-C4' energy: -160.875
flat angles P-C4'-P energy: -106.894
tors. eta vs tors. theta energy: -239.363
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2530.575275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.575275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.796264 (E_RNA)
where:
Base-Base interactions energy: -1798.181
where: short stacking energy: -745.294
Base-Backbone interact. energy: -2.808
local terms energy: -734.806741
where:
bonds (distance) C4'-P energy: -135.919
bonds (distance) P-C4' energy: -118.303
flat angles C4'-P-C4' energy: -145.969
flat angles P-C4'-P energy: -99.411
tors. eta vs tors. theta energy: -235.205
Dist. restrs. and SS energy: 5.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2429.204595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.204595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.581613 (E_RNA)
where:
Base-Base interactions energy: -1752.264
where: short stacking energy: -723.445
Base-Backbone interact. energy: -3.643
local terms energy: -687.674418
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -121.796
flat angles C4'-P-C4' energy: -138.102
flat angles P-C4'-P energy: -102.491
tors. eta vs tors. theta energy: -219.201
Dist. restrs. and SS energy: 14.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2353.554199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.554199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.517650 (E_RNA)
where:
Base-Base interactions energy: -1653.972
where: short stacking energy: -678.982
Base-Backbone interact. energy: -5.889
local terms energy: -710.657070
where:
bonds (distance) C4'-P energy: -121.729
bonds (distance) P-C4' energy: -127.552
flat angles C4'-P-C4' energy: -142.604
flat angles P-C4'-P energy: -97.240
tors. eta vs tors. theta energy: -221.532
Dist. restrs. and SS energy: 16.963 (S_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: 387
Temperature: 1.250000
Total energy: -2281.454355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.454355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.783633 (E_RNA)
where:
Base-Base interactions energy: -1606.420
where: short stacking energy: -631.648
Base-Backbone interact. energy: -0.244
local terms energy: -687.120055
where:
bonds (distance) C4'-P energy: -123.904
bonds (distance) P-C4' energy: -121.862
flat angles C4'-P-C4' energy: -142.706
flat angles P-C4'-P energy: -98.431
tors. eta vs tors. theta energy: -200.218
Dist. restrs. and SS energy: 12.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -2094.377371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.377371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.667856 (E_RNA)
where:
Base-Base interactions energy: -1476.656
where: short stacking energy: -596.593
Base-Backbone interact. energy: 0.103
local terms energy: -637.114591
where:
bonds (distance) C4'-P energy: -101.778
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -119.919
flat angles P-C4'-P energy: -91.292
tors. eta vs tors. theta energy: -187.938
Dist. restrs. and SS energy: 19.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1942.185861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.185861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.321738 (E_RNA)
where:
Base-Base interactions energy: -1397.189
where: short stacking energy: -580.369
Base-Backbone interact. energy: 2.490
local terms energy: -586.622703
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -109.345
flat angles C4'-P-C4' energy: -136.169
flat angles P-C4'-P energy: -68.175
tors. eta vs tors. theta energy: -162.768
Dist. restrs. and SS energy: 39.136 (S_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: 388
Temperature: 0.900000
Total energy: -2767.028419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.028419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.925015 (E_RNA)
where:
Base-Base interactions energy: -1951.697
where: short stacking energy: -808.266
Base-Backbone interact. energy: -1.047
local terms energy: -822.180823
where:
bonds (distance) C4'-P energy: -142.733
bonds (distance) P-C4' energy: -126.420
flat angles C4'-P-C4' energy: -175.235
flat angles P-C4'-P energy: -125.362
tors. eta vs tors. theta energy: -252.431
Dist. restrs. and SS energy: 7.897 (S_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: 388
Temperature: 0.950000
Total energy: -2716.127764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.127764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.319286 (E_RNA)
where:
Base-Base interactions energy: -1927.901
where: short stacking energy: -788.650
Base-Backbone interact. energy: -1.667
local terms energy: -795.751116
where:
bonds (distance) C4'-P energy: -145.132
bonds (distance) P-C4' energy: -136.269
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -106.813
tors. eta vs tors. theta energy: -248.398
Dist. restrs. and SS energy: 9.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2658.863670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.863670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.264925 (E_RNA)
where:
Base-Base interactions energy: -1877.598
where: short stacking energy: -769.991
Base-Backbone interact. energy: -2.408
local terms energy: -782.259457
where:
bonds (distance) C4'-P energy: -127.434
bonds (distance) P-C4' energy: -122.965
flat angles C4'-P-C4' energy: -174.942
flat angles P-C4'-P energy: -115.818
tors. eta vs tors. theta energy: -241.101
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. 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: -2590.515076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.688976 (E_RNA)
where:
Base-Base interactions energy: -1851.182
where: short stacking energy: -735.518
Base-Backbone interact. energy: -1.685
local terms energy: -742.822494
where:
bonds (distance) C4'-P energy: -137.625
bonds (distance) P-C4' energy: -111.089
flat angles C4'-P-C4' energy: -156.492
flat angles P-C4'-P energy: -111.887
tors. eta vs tors. theta energy: -225.730
Dist. restrs. and SS energy: 5.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2536.707432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.707432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.908442 (E_RNA)
where:
Base-Base interactions energy: -1780.981
where: short stacking energy: -742.175
Base-Backbone interact. energy: 0.927
local terms energy: -759.854807
where:
bonds (distance) C4'-P energy: -129.038
bonds (distance) P-C4' energy: -148.553
flat angles C4'-P-C4' energy: -161.772
flat angles P-C4'-P energy: -94.722
tors. eta vs tors. theta energy: -225.770
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2444.859993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.859993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.001987 (E_RNA)
where:
Base-Base interactions energy: -1786.990
where: short stacking energy: -707.267
Base-Backbone interact. energy: 2.834
local terms energy: -669.845887
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -152.910
flat angles P-C4'-P energy: -101.945
tors. eta vs tors. theta energy: -221.945
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: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2289.103786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.103786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.764167 (E_RNA)
where:
Base-Base interactions energy: -1649.640
where: short stacking energy: -663.872
Base-Backbone interact. energy: -2.729
local terms energy: -653.395206
where:
bonds (distance) C4'-P energy: -100.695
bonds (distance) P-C4' energy: -115.585
flat angles C4'-P-C4' energy: -143.521
flat angles P-C4'-P energy: -91.931
tors. eta vs tors. theta energy: -201.662
Dist. restrs. and SS energy: 16.660 (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: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2284.891610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.891610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.719097 (E_RNA)
where:
Base-Base interactions energy: -1602.925
where: short stacking energy: -656.705
Base-Backbone interact. energy: -1.245
local terms energy: -685.549081
where:
bonds (distance) C4'-P energy: -125.494
bonds (distance) P-C4' energy: -117.869
flat angles C4'-P-C4' energy: -150.527
flat angles P-C4'-P energy: -93.342
tors. eta vs tors. theta energy: -198.318
Dist. restrs. and SS energy: 4.827 (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: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -2105.231184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.231184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.161380 (E_RNA)
where:
Base-Base interactions energy: -1471.728
where: short stacking energy: -590.299
Base-Backbone interact. energy: -3.001
local terms energy: -641.432218
where:
bonds (distance) C4'-P energy: -121.179
bonds (distance) P-C4' energy: -111.098
flat angles C4'-P-C4' energy: -143.459
flat angles P-C4'-P energy: -73.304
tors. eta vs tors. theta energy: -192.392
Dist. restrs. and SS energy: 10.930 (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: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1949.484251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.484251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.663651 (E_RNA)
where:
Base-Base interactions energy: -1395.654
where: short stacking energy: -540.943
Base-Backbone interact. energy: -1.969
local terms energy: -580.040688
where:
bonds (distance) C4'-P energy: -113.277
bonds (distance) P-C4' energy: -113.121
flat angles C4'-P-C4' energy: -106.591
flat angles P-C4'-P energy: -78.102
tors. eta vs tors. theta energy: -168.949
Dist. restrs. and SS energy: 28.179 (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: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2766.052084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.052084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.347009 (E_RNA)
where:
Base-Base interactions energy: -1982.140
where: short stacking energy: -807.154
Base-Backbone interact. energy: -5.757
local terms energy: -785.450015
where:
bonds (distance) C4'-P energy: -123.881
bonds (distance) P-C4' energy: -127.633
flat angles C4'-P-C4' energy: -169.616
flat angles P-C4'-P energy: -118.558
tors. eta vs tors. theta energy: -245.761
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: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2703.324651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.324651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.568545 (E_RNA)
where:
Base-Base interactions energy: -1914.047
where: short stacking energy: -784.306
Base-Backbone interact. energy: -1.224
local terms energy: -794.297754
where:
bonds (distance) C4'-P energy: -139.539
bonds (distance) P-C4' energy: -137.862
flat angles C4'-P-C4' energy: -165.504
flat angles P-C4'-P energy: -111.000
tors. eta vs tors. theta energy: -240.392
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: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2666.431909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.431909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.806873 (E_RNA)
where:
Base-Base interactions energy: -1880.241
where: short stacking energy: -780.490
Base-Backbone interact. energy: -1.665
local terms energy: -789.900138
where:
bonds (distance) C4'-P energy: -140.931
bonds (distance) P-C4' energy: -140.730
flat angles C4'-P-C4' energy: -159.177
flat angles P-C4'-P energy: -104.973
tors. eta vs tors. theta energy: -244.089
Dist. restrs. and SS energy: 5.375 (S_DIST_RNA)
chem. 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: -2628.480415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.480415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.991743 (E_RNA)
where:
Base-Base interactions energy: -1881.163
where: short stacking energy: -752.643
Base-Backbone interact. energy: -0.255
local terms energy: -754.573119
where:
bonds (distance) C4'-P energy: -129.332
bonds (distance) P-C4' energy: -118.051
flat angles C4'-P-C4' energy: -155.185
flat angles P-C4'-P energy: -106.707
tors. eta vs tors. theta energy: -245.297
Dist. restrs. and SS energy: 7.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2501.403816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.403816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.935418 (E_RNA)
where:
Base-Base interactions energy: -1780.598
where: short stacking energy: -708.063
Base-Backbone interact. energy: -1.159
local terms energy: -723.178187
where:
bonds (distance) C4'-P energy: -124.926
bonds (distance) P-C4' energy: -123.770
flat angles C4'-P-C4' energy: -157.538
flat angles P-C4'-P energy: -100.149
tors. eta vs tors. theta energy: -216.795
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2459.594127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.594127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.445402 (E_RNA)
where:
Base-Base interactions energy: -1755.511
where: short stacking energy: -724.883
Base-Backbone interact. energy: -1.943
local terms energy: -711.991919
where:
bonds (distance) C4'-P energy: -123.703
bonds (distance) P-C4' energy: -108.777
flat angles C4'-P-C4' energy: -147.533
flat angles P-C4'-P energy: -97.800
tors. eta vs tors. theta energy: -234.180
Dist. restrs. and SS energy: 9.851 (S_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: 389
Temperature: 1.200000
Total energy: -2329.295218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.295218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.874079 (E_RNA)
where:
Base-Base interactions energy: -1662.193
where: short stacking energy: -680.171
Base-Backbone interact. energy: -1.654
local terms energy: -674.026636
where:
bonds (distance) C4'-P energy: -122.706
bonds (distance) P-C4' energy: -116.375
flat angles C4'-P-C4' energy: -143.691
flat angles P-C4'-P energy: -81.384
tors. eta vs tors. theta energy: -209.870
Dist. restrs. and SS energy: 8.579 (S_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: 389
Temperature: 1.250000
Total energy: -2224.589541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.589541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.870691 (E_RNA)
where:
Base-Base interactions energy: -1576.783
where: short stacking energy: -635.707
Base-Backbone interact. energy: -0.188
local terms energy: -655.900010
where:
bonds (distance) C4'-P energy: -88.948
bonds (distance) P-C4' energy: -127.912
flat angles C4'-P-C4' energy: -127.379
flat angles P-C4'-P energy: -97.227
tors. eta vs tors. theta energy: -214.434
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: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -2098.022059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.022059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.900475 (E_RNA)
where:
Base-Base interactions energy: -1476.867
where: short stacking energy: -575.922
Base-Backbone interact. energy: -1.332
local terms energy: -633.701395
where:
bonds (distance) C4'-P energy: -101.828
bonds (distance) P-C4' energy: -97.201
flat angles C4'-P-C4' energy: -141.195
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -187.323
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1993.783421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.783421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.726253 (E_RNA)
where:
Base-Base interactions energy: -1413.556
where: short stacking energy: -558.450
Base-Backbone interact. energy: 0.850
local terms energy: -605.020160
where:
bonds (distance) C4'-P energy: -98.333
bonds (distance) P-C4' energy: -119.431
flat angles C4'-P-C4' energy: -121.663
flat angles P-C4'-P energy: -81.520
tors. eta vs tors. theta energy: -184.073
Dist. restrs. and SS energy: 23.943 (S_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: 390
Temperature: 0.900000
Total energy: -2756.775825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.775825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.297240 (E_RNA)
where:
Base-Base interactions energy: -1943.648
where: short stacking energy: -792.524
Base-Backbone interact. energy: -3.300
local terms energy: -817.349048
where:
bonds (distance) C4'-P energy: -142.982
bonds (distance) P-C4' energy: -140.090
flat angles C4'-P-C4' energy: -161.145
flat angles P-C4'-P energy: -119.576
tors. eta vs tors. theta energy: -253.556
Dist. restrs. and SS energy: 7.521 (S_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: 390
Temperature: 0.950000
Total energy: -2683.021501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.021501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.885106 (E_RNA)
where:
Base-Base interactions energy: -1892.753
where: short stacking energy: -767.347
Base-Backbone interact. energy: -1.180
local terms energy: -795.952526
where:
bonds (distance) C4'-P energy: -150.722
bonds (distance) P-C4' energy: -134.439
flat angles C4'-P-C4' energy: -165.869
flat angles P-C4'-P energy: -110.680
tors. eta vs tors. theta energy: -234.244
Dist. restrs. and SS energy: 6.864 (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: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2653.954781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.954781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.850734 (E_RNA)
where:
Base-Base interactions energy: -1851.733
where: short stacking energy: -779.487
Base-Backbone interact. energy: -3.120
local terms energy: -802.997089
where:
bonds (distance) C4'-P energy: -143.771
bonds (distance) P-C4' energy: -133.376
flat angles C4'-P-C4' energy: -171.482
flat angles P-C4'-P energy: -110.487
tors. eta vs tors. theta energy: -243.880
Dist. restrs. and SS energy: 3.896 (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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2590.851808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.851808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.597278 (E_RNA)
where:
Base-Base interactions energy: -1837.260
where: short stacking energy: -738.857
Base-Backbone interact. energy: 3.281
local terms energy: -764.617852
where:
bonds (distance) C4'-P energy: -128.165
bonds (distance) P-C4' energy: -125.812
flat angles C4'-P-C4' energy: -162.379
flat angles P-C4'-P energy: -112.028
tors. eta vs tors. theta energy: -236.234
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: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2558.672156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.672156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.167030 (E_RNA)
where:
Base-Base interactions energy: -1824.838
where: short stacking energy: -727.907
Base-Backbone interact. energy: 1.499
local terms energy: -739.828007
where:
bonds (distance) C4'-P energy: -117.563
bonds (distance) P-C4' energy: -131.333
flat angles C4'-P-C4' energy: -160.409
flat angles P-C4'-P energy: -97.879
tors. eta vs tors. theta energy: -232.644
Dist. restrs. and SS energy: 4.495 (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: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2466.702761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.702761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.113293 (E_RNA)
where:
Base-Base interactions energy: -1744.829
where: short stacking energy: -728.832
Base-Backbone interact. energy: -0.818
local terms energy: -735.465462
where:
bonds (distance) C4'-P energy: -116.179
bonds (distance) P-C4' energy: -135.639
flat angles C4'-P-C4' energy: -149.016
flat angles P-C4'-P energy: -107.105
tors. eta vs tors. theta energy: -227.527
Dist. restrs. and SS energy: 14.411 (S_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: 390
Temperature: 1.200000
Total energy: -2318.326756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.326756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.531566 (E_RNA)
where:
Base-Base interactions energy: -1638.117
where: short stacking energy: -677.492
Base-Backbone interact. energy: -3.207
local terms energy: -686.208164
where:
bonds (distance) C4'-P energy: -126.014
bonds (distance) P-C4' energy: -113.401
flat angles C4'-P-C4' energy: -153.675
flat angles P-C4'-P energy: -84.282
tors. eta vs tors. theta energy: -208.836
Dist. restrs. and SS energy: 9.205 (S_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: 390
Temperature: 1.250000
Total energy: -2225.282696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.282696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.023747 (E_RNA)
where:
Base-Base interactions energy: -1571.281
where: short stacking energy: -631.984
Base-Backbone interact. energy: -0.305
local terms energy: -663.437754
where:
bonds (distance) C4'-P energy: -114.577
bonds (distance) P-C4' energy: -109.855
flat angles C4'-P-C4' energy: -144.249
flat angles P-C4'-P energy: -96.739
tors. eta vs tors. theta energy: -198.018
Dist. restrs. and SS energy: 9.741 (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: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -2105.872248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.872248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.444825 (E_RNA)
where:
Base-Base interactions energy: -1502.391
where: short stacking energy: -589.091
Base-Backbone interact. energy: -0.312
local terms energy: -617.741465
where:
bonds (distance) C4'-P energy: -103.122
bonds (distance) P-C4' energy: -119.746
flat angles C4'-P-C4' energy: -133.961
flat angles P-C4'-P energy: -78.300
tors. eta vs tors. theta energy: -182.613
Dist. restrs. and SS energy: 14.573 (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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -2041.122049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.122049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.754360 (E_RNA)
where:
Base-Base interactions energy: -1464.757
where: short stacking energy: -560.079
Base-Backbone interact. energy: -0.366
local terms energy: -601.631704
where:
bonds (distance) C4'-P energy: -115.897
bonds (distance) P-C4' energy: -117.222
flat angles C4'-P-C4' energy: -120.030
flat angles P-C4'-P energy: -79.737
tors. eta vs tors. theta energy: -168.745
Dist. restrs. and SS energy: 25.632 (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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2764.474945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.474945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.179847 (E_RNA)
where:
Base-Base interactions energy: -1958.705
where: short stacking energy: -808.772
Base-Backbone interact. energy: -2.618
local terms energy: -809.856953
where:
bonds (distance) C4'-P energy: -129.784
bonds (distance) P-C4' energy: -148.212
flat angles C4'-P-C4' energy: -166.939
flat angles P-C4'-P energy: -118.457
tors. eta vs tors. theta energy: -246.465
Dist. restrs. and SS energy: 6.705 (S_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: 391
Temperature: 0.950000
Total energy: -2713.819541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.819541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.598627 (E_RNA)
where:
Base-Base interactions energy: -1905.601
where: short stacking energy: -801.234
Base-Backbone interact. energy: -1.285
local terms energy: -811.711936
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -147.971
flat angles C4'-P-C4' energy: -165.308
flat angles P-C4'-P energy: -114.808
tors. eta vs tors. theta energy: -250.792
Dist. restrs. and SS energy: 4.779 (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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2658.002334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.002334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.588308 (E_RNA)
where:
Base-Base interactions energy: -1886.901
where: short stacking energy: -771.521
Base-Backbone interact. energy: 2.832
local terms energy: -779.519499
where:
bonds (distance) C4'-P energy: -136.339
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -159.326
flat angles P-C4'-P energy: -110.095
tors. eta vs tors. theta energy: -237.706
Dist. restrs. and SS energy: 5.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2605.399257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.399257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.891908 (E_RNA)
where:
Base-Base interactions energy: -1851.820
where: short stacking energy: -743.347
Base-Backbone interact. energy: -1.142
local terms energy: -759.929916
where:
bonds (distance) C4'-P energy: -133.943
bonds (distance) P-C4' energy: -116.594
flat angles C4'-P-C4' energy: -160.780
flat angles P-C4'-P energy: -114.923
tors. eta vs tors. theta energy: -233.689
Dist. restrs. and SS energy: 7.493 (S_DIST_RNA)
chem. 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: -2533.218309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.218309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.148382 (E_RNA)
where:
Base-Base interactions energy: -1810.123
where: short stacking energy: -717.725
Base-Backbone interact. energy: 2.765
local terms energy: -732.790701
where:
bonds (distance) C4'-P energy: -121.684
bonds (distance) P-C4' energy: -140.241
flat angles C4'-P-C4' energy: -153.065
flat angles P-C4'-P energy: -97.380
tors. eta vs tors. theta energy: -220.420
Dist. restrs. and SS energy: 6.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2454.135151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.135151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.525503 (E_RNA)
where:
Base-Base interactions energy: -1746.106
where: short stacking energy: -695.117
Base-Backbone interact. energy: 0.170
local terms energy: -717.589487
where:
bonds (distance) C4'-P energy: -120.915
bonds (distance) P-C4' energy: -123.474
flat angles C4'-P-C4' energy: -158.328
flat angles P-C4'-P energy: -89.173
tors. eta vs tors. theta energy: -225.700
Dist. restrs. and SS energy: 9.390 (S_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: 391
Temperature: 1.200000
Total energy: -2352.017382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.017382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.127202 (E_RNA)
where:
Base-Base interactions energy: -1693.599
where: short stacking energy: -675.585
Base-Backbone interact. energy: 2.141
local terms energy: -672.668784
where:
bonds (distance) C4'-P energy: -105.639
bonds (distance) P-C4' energy: -118.685
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -216.390
Dist. restrs. and SS energy: 12.110 (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: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2213.676186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.676186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.610391 (E_RNA)
where:
Base-Base interactions energy: -1579.141
where: short stacking energy: -628.830
Base-Backbone interact. energy: 1.077
local terms energy: -649.546320
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -109.940
flat angles C4'-P-C4' energy: -146.015
flat angles P-C4'-P energy: -79.749
tors. eta vs tors. theta energy: -196.267
Dist. restrs. and SS energy: 13.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -2113.810015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.810015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.498717 (E_RNA)
where:
Base-Base interactions energy: -1512.137
where: short stacking energy: -599.984
Base-Backbone interact. energy: -2.139
local terms energy: -622.223029
where:
bonds (distance) C4'-P energy: -105.539
bonds (distance) P-C4' energy: -112.702
flat angles C4'-P-C4' energy: -133.740
flat angles P-C4'-P energy: -83.282
tors. eta vs tors. theta energy: -186.959
Dist. restrs. and SS energy: 22.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -2040.982179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.982179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.669539 (E_RNA)
where:
Base-Base interactions energy: -1449.483
where: short stacking energy: -591.436
Base-Backbone interact. energy: -1.607
local terms energy: -603.579225
where:
bonds (distance) C4'-P energy: -111.485
bonds (distance) P-C4' energy: -99.413
flat angles C4'-P-C4' energy: -133.513
flat angles P-C4'-P energy: -76.291
tors. eta vs tors. theta energy: -182.877
Dist. restrs. and SS energy: 13.687 (S_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: 392
Temperature: 0.900000
Total energy: -2780.912999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.912999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.706785 (E_RNA)
where:
Base-Base interactions energy: -1950.599
where: short stacking energy: -780.595
Base-Backbone interact. energy: -3.153
local terms energy: -833.954897
where:
bonds (distance) C4'-P energy: -136.903
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -175.583
flat angles P-C4'-P energy: -134.288
tors. eta vs tors. theta energy: -256.465
Dist. restrs. and SS energy: 6.794 (S_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: 392
Temperature: 0.950000
Total energy: -2720.278276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.278276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.907839 (E_RNA)
where:
Base-Base interactions energy: -1920.909
where: short stacking energy: -817.735
Base-Backbone interact. energy: -1.712
local terms energy: -802.287513
where:
bonds (distance) C4'-P energy: -117.372
bonds (distance) P-C4' energy: -143.974
flat angles C4'-P-C4' energy: -164.056
flat angles P-C4'-P energy: -115.040
tors. eta vs tors. theta energy: -261.845
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: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2682.675704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.675704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.349642 (E_RNA)
where:
Base-Base interactions energy: -1911.510
where: short stacking energy: -763.441
Base-Backbone interact. energy: -0.319
local terms energy: -777.520177
where:
bonds (distance) C4'-P energy: -119.521
bonds (distance) P-C4' energy: -131.518
flat angles C4'-P-C4' energy: -163.961
flat angles P-C4'-P energy: -114.256
tors. eta vs tors. theta energy: -248.264
Dist. restrs. and SS energy: 6.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2595.798260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.798260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.130684 (E_RNA)
where:
Base-Base interactions energy: -1830.551
where: short stacking energy: -739.503
Base-Backbone interact. energy: 2.100
local terms energy: -774.679428
where:
bonds (distance) C4'-P energy: -121.025
bonds (distance) P-C4' energy: -124.418
flat angles C4'-P-C4' energy: -164.531
flat angles P-C4'-P energy: -119.739
tors. eta vs tors. theta energy: -244.965
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: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2520.223248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.223248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.444270 (E_RNA)
where:
Base-Base interactions energy: -1827.827
where: short stacking energy: -733.657
Base-Backbone interact. energy: 4.943
local terms energy: -707.560296
where:
bonds (distance) C4'-P energy: -120.416
bonds (distance) P-C4' energy: -108.604
flat angles C4'-P-C4' energy: -147.104
flat angles P-C4'-P energy: -95.065
tors. eta vs tors. theta energy: -236.371
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2454.901993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.901993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.808733 (E_RNA)
where:
Base-Base interactions energy: -1757.805
where: short stacking energy: -709.128
Base-Backbone interact. energy: 1.288
local terms energy: -705.291365
where:
bonds (distance) C4'-P energy: -114.599
bonds (distance) P-C4' energy: -113.858
flat angles C4'-P-C4' energy: -149.627
flat angles P-C4'-P energy: -99.849
tors. eta vs tors. theta energy: -227.358
Dist. restrs. and SS energy: 6.907 (S_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: 392
Temperature: 1.200000
Total energy: -2358.859862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.859862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.198615 (E_RNA)
where:
Base-Base interactions energy: -1701.065
where: short stacking energy: -679.451
Base-Backbone interact. energy: -1.981
local terms energy: -669.152968
where:
bonds (distance) C4'-P energy: -111.046
bonds (distance) P-C4' energy: -117.092
flat angles C4'-P-C4' energy: -149.165
flat angles P-C4'-P energy: -85.956
tors. eta vs tors. theta energy: -205.895
Dist. restrs. and SS energy: 13.339 (S_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: 392
Temperature: 1.250000
Total energy: -2226.109997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.109997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.142102 (E_RNA)
where:
Base-Base interactions energy: -1605.076
where: short stacking energy: -646.829
Base-Backbone interact. energy: -2.283
local terms energy: -626.783434
where:
bonds (distance) C4'-P energy: -111.932
bonds (distance) P-C4' energy: -114.316
flat angles C4'-P-C4' energy: -133.685
flat angles P-C4'-P energy: -77.717
tors. eta vs tors. theta energy: -189.134
Dist. restrs. and SS energy: 8.032 (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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -2101.031822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.031822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.345661 (E_RNA)
where:
Base-Base interactions energy: -1492.309
where: short stacking energy: -583.043
Base-Backbone interact. energy: 1.349
local terms energy: -630.385965
where:
bonds (distance) C4'-P energy: -120.572
bonds (distance) P-C4' energy: -116.147
flat angles C4'-P-C4' energy: -131.290
flat angles P-C4'-P energy: -86.167
tors. eta vs tors. theta energy: -176.210
Dist. restrs. and SS energy: 20.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1969.788633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.788633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.101449 (E_RNA)
where:
Base-Base interactions energy: -1395.751
where: short stacking energy: -519.044
Base-Backbone interact. energy: -1.331
local terms energy: -588.019845
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -110.604
flat angles C4'-P-C4' energy: -121.489
flat angles P-C4'-P energy: -89.732
tors. eta vs tors. theta energy: -168.198
Dist. restrs. and SS energy: 15.313 (S_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: 393
Temperature: 0.900000
Total energy: -2764.012220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.012220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.078140 (E_RNA)
where:
Base-Base interactions energy: -1963.057
where: short stacking energy: -800.038
Base-Backbone interact. energy: -0.092
local terms energy: -808.929146
where:
bonds (distance) C4'-P energy: -144.316
bonds (distance) P-C4' energy: -144.632
flat angles C4'-P-C4' energy: -169.153
flat angles P-C4'-P energy: -99.755
tors. eta vs tors. theta energy: -251.074
Dist. restrs. and SS energy: 8.066 (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: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2699.264023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.264023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.284780 (E_RNA)
where:
Base-Base interactions energy: -1928.961
where: short stacking energy: -792.861
Base-Backbone interact. energy: -1.608
local terms energy: -776.715106
where:
bonds (distance) C4'-P energy: -112.067
bonds (distance) P-C4' energy: -129.297
flat angles C4'-P-C4' energy: -170.580
flat angles P-C4'-P energy: -119.456
tors. eta vs tors. theta energy: -245.314
Dist. restrs. and SS energy: 8.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2627.124386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.787219 (E_RNA)
where:
Base-Base interactions energy: -1848.953
where: short stacking energy: -753.082
Base-Backbone interact. energy: -2.490
local terms energy: -779.344414
where:
bonds (distance) C4'-P energy: -134.781
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -156.016
flat angles P-C4'-P energy: -112.398
tors. eta vs tors. theta energy: -242.739
Dist. restrs. and SS energy: 3.663 (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: 393
Temperature: 1.050000
Total energy: -2594.497698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.497698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.285146 (E_RNA)
where:
Base-Base interactions energy: -1852.662
where: short stacking energy: -752.741
Base-Backbone interact. energy: -3.958
local terms energy: -743.665540
where:
bonds (distance) C4'-P energy: -121.614
bonds (distance) P-C4' energy: -126.759
flat angles C4'-P-C4' energy: -155.150
flat angles P-C4'-P energy: -103.096
tors. eta vs tors. theta energy: -237.045
Dist. restrs. and SS energy: 5.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2521.858060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.858060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.777240 (E_RNA)
where:
Base-Base interactions energy: -1820.097
where: short stacking energy: -730.458
Base-Backbone interact. energy: -1.448
local terms energy: -707.232385
where:
bonds (distance) C4'-P energy: -130.440
bonds (distance) P-C4' energy: -120.739
flat angles C4'-P-C4' energy: -143.262
flat angles P-C4'-P energy: -88.504
tors. eta vs tors. theta energy: -224.287
Dist. restrs. and SS energy: 6.919 (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: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2477.921941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.921941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.335613 (E_RNA)
where:
Base-Base interactions energy: -1773.240
where: short stacking energy: -727.710
Base-Backbone interact. energy: -1.065
local terms energy: -714.029864
where:
bonds (distance) C4'-P energy: -122.417
bonds (distance) P-C4' energy: -116.238
flat angles C4'-P-C4' energy: -153.536
flat angles P-C4'-P energy: -91.446
tors. eta vs tors. theta energy: -230.393
Dist. restrs. and SS energy: 10.414 (S_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: 393
Temperature: 1.200000
Total energy: -2322.541600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.541600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.055744 (E_RNA)
where:
Base-Base interactions energy: -1642.644
where: short stacking energy: -656.635
Base-Backbone interact. energy: -3.088
local terms energy: -681.324301
where:
bonds (distance) C4'-P energy: -117.317
bonds (distance) P-C4' energy: -114.086
flat angles C4'-P-C4' energy: -149.519
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -199.241
Dist. restrs. and SS energy: 4.514 (S_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: 393
Temperature: 1.250000
Total energy: -2214.564104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.564104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.972867 (E_RNA)
where:
Base-Base interactions energy: -1582.764
where: short stacking energy: -631.011
Base-Backbone interact. energy: 0.993
local terms energy: -644.202400
where:
bonds (distance) C4'-P energy: -102.312
bonds (distance) P-C4' energy: -117.209
flat angles C4'-P-C4' energy: -137.840
flat angles P-C4'-P energy: -86.108
tors. eta vs tors. theta energy: -200.733
Dist. restrs. and SS energy: 11.409 (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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -2086.329282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.329282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.162243 (E_RNA)
where:
Base-Base interactions energy: -1511.436
where: short stacking energy: -596.686
Base-Backbone interact. energy: -0.961
local terms energy: -587.765360
where:
bonds (distance) C4'-P energy: -88.716
bonds (distance) P-C4' energy: -103.447
flat angles C4'-P-C4' energy: -135.675
flat angles P-C4'-P energy: -81.285
tors. eta vs tors. theta energy: -178.641
Dist. restrs. and SS energy: 13.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1950.215383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.215383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.012044 (E_RNA)
where:
Base-Base interactions energy: -1411.401
where: short stacking energy: -560.116
Base-Backbone interact. energy: 1.913
local terms energy: -567.524804
where:
bonds (distance) C4'-P energy: -106.718
bonds (distance) P-C4' energy: -114.410
flat angles C4'-P-C4' energy: -112.032
flat angles P-C4'-P energy: -71.644
tors. eta vs tors. theta energy: -162.721
Dist. restrs. and SS energy: 26.797 (S_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: 394
Temperature: 0.900000
Total energy: -2765.609634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.609634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.308885 (E_RNA)
where:
Base-Base interactions energy: -1956.292
where: short stacking energy: -804.161
Base-Backbone interact. energy: -0.812
local terms energy: -815.204969
where:
bonds (distance) C4'-P energy: -136.164
bonds (distance) P-C4' energy: -142.424
flat angles C4'-P-C4' energy: -164.080
flat angles P-C4'-P energy: -118.349
tors. eta vs tors. theta energy: -254.187
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: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2704.320590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.320590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.687512 (E_RNA)
where:
Base-Base interactions energy: -1928.422
where: short stacking energy: -767.000
Base-Backbone interact. energy: 8.559
local terms energy: -791.824338
where:
bonds (distance) C4'-P energy: -120.727
bonds (distance) P-C4' energy: -136.906
flat angles C4'-P-C4' energy: -162.929
flat angles P-C4'-P energy: -122.757
tors. eta vs tors. theta energy: -248.505
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2683.773370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.773370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.524875 (E_RNA)
where:
Base-Base interactions energy: -1909.354
where: short stacking energy: -791.803
Base-Backbone interact. energy: -1.608
local terms energy: -777.562880
where:
bonds (distance) C4'-P energy: -127.340
bonds (distance) P-C4' energy: -140.795
flat angles C4'-P-C4' energy: -156.239
flat angles P-C4'-P energy: -110.763
tors. eta vs tors. theta energy: -242.425
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2559.095787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.095787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.248887 (E_RNA)
where:
Base-Base interactions energy: -1799.485
where: short stacking energy: -733.864
Base-Backbone interact. energy: 0.097
local terms energy: -771.861201
where:
bonds (distance) C4'-P energy: -134.954
bonds (distance) P-C4' energy: -140.124
flat angles C4'-P-C4' energy: -159.070
flat angles P-C4'-P energy: -116.525
tors. eta vs tors. theta energy: -221.188
Dist. restrs. and SS energy: 12.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2512.655375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.655375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.743044 (E_RNA)
where:
Base-Base interactions energy: -1792.230
where: short stacking energy: -711.821
Base-Backbone interact. energy: 2.180
local terms energy: -729.693930
where:
bonds (distance) C4'-P energy: -118.458
bonds (distance) P-C4' energy: -133.597
flat angles C4'-P-C4' energy: -147.874
flat angles P-C4'-P energy: -102.084
tors. eta vs tors. theta energy: -227.682
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: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2473.947539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.947539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.763851 (E_RNA)
where:
Base-Base interactions energy: -1784.134
where: short stacking energy: -719.492
Base-Backbone interact. energy: -5.242
local terms energy: -695.388471
where:
bonds (distance) C4'-P energy: -130.539
bonds (distance) P-C4' energy: -106.211
flat angles C4'-P-C4' energy: -134.736
flat angles P-C4'-P energy: -100.703
tors. eta vs tors. theta energy: -223.200
Dist. restrs. and SS energy: 10.816 (S_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: 394
Temperature: 1.200000
Total energy: -2350.452507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.452507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.431055 (E_RNA)
where:
Base-Base interactions energy: -1670.910
where: short stacking energy: -673.469
Base-Backbone interact. energy: -0.975
local terms energy: -688.546332
where:
bonds (distance) C4'-P energy: -114.066
bonds (distance) P-C4' energy: -108.292
flat angles C4'-P-C4' energy: -157.516
flat angles P-C4'-P energy: -96.545
tors. eta vs tors. theta energy: -212.127
Dist. restrs. and SS energy: 9.979 (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: 394
Temperature: 1.250000
Total energy: -2236.682460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.682460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.843371 (E_RNA)
where:
Base-Base interactions energy: -1632.760
where: short stacking energy: -660.313
Base-Backbone interact. energy: 0.248
local terms energy: -613.332114
where:
bonds (distance) C4'-P energy: -109.647
bonds (distance) P-C4' energy: -102.512
flat angles C4'-P-C4' energy: -128.764
flat angles P-C4'-P energy: -68.727
tors. eta vs tors. theta energy: -203.682
Dist. restrs. and SS energy: 9.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -2090.197196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.197196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.775537 (E_RNA)
where:
Base-Base interactions energy: -1508.284
where: short stacking energy: -591.824
Base-Backbone interact. energy: -0.272
local terms energy: -595.219149
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -123.282
flat angles C4'-P-C4' energy: -139.595
flat angles P-C4'-P energy: -67.663
tors. eta vs tors. theta energy: -175.068
Dist. restrs. and SS energy: 13.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1937.726217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.726217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.929465 (E_RNA)
where:
Base-Base interactions energy: -1373.290
where: short stacking energy: -540.183
Base-Backbone interact. energy: -2.004
local terms energy: -583.634777
where:
bonds (distance) C4'-P energy: -89.705
bonds (distance) P-C4' energy: -107.888
flat angles C4'-P-C4' energy: -126.245
flat angles P-C4'-P energy: -90.165
tors. eta vs tors. theta energy: -169.631
Dist. restrs. and SS energy: 21.203 (S_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: 395
Temperature: 0.900000
Total energy: -2763.419935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.419935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.503278 (E_RNA)
where:
Base-Base interactions energy: -1980.735
where: short stacking energy: -805.680
Base-Backbone interact. energy: -2.472
local terms energy: -788.295654
where:
bonds (distance) C4'-P energy: -121.282
bonds (distance) P-C4' energy: -133.518
flat angles C4'-P-C4' energy: -166.703
flat angles P-C4'-P energy: -113.771
tors. eta vs tors. theta energy: -253.022
Dist. restrs. and SS energy: 8.083 (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: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2711.937606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.937606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.777488 (E_RNA)
where:
Base-Base interactions energy: -1926.596
where: short stacking energy: -787.359
Base-Backbone interact. energy: -1.025
local terms energy: -792.156559
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -121.618
flat angles C4'-P-C4' energy: -164.705
flat angles P-C4'-P energy: -118.040
tors. eta vs tors. theta energy: -245.992
Dist. restrs. and SS energy: 7.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2679.007670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.007670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.641295 (E_RNA)
where:
Base-Base interactions energy: -1879.864
where: short stacking energy: -771.574
Base-Backbone interact. energy: 1.758
local terms energy: -805.535922
where:
bonds (distance) C4'-P energy: -141.357
bonds (distance) P-C4' energy: -136.910
flat angles C4'-P-C4' energy: -160.868
flat angles P-C4'-P energy: -118.150
tors. eta vs tors. theta energy: -248.250
Dist. restrs. and SS energy: 4.634 (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: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2595.018414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.018414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.173316 (E_RNA)
where:
Base-Base interactions energy: -1828.589
where: short stacking energy: -756.832
Base-Backbone interact. energy: -3.217
local terms energy: -772.367488
where:
bonds (distance) C4'-P energy: -120.656
bonds (distance) P-C4' energy: -142.392
flat angles C4'-P-C4' energy: -161.565
flat angles P-C4'-P energy: -109.617
tors. eta vs tors. theta energy: -238.138
Dist. restrs. and SS energy: 9.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2559.858462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.858462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.929791 (E_RNA)
where:
Base-Base interactions energy: -1817.680
where: short stacking energy: -746.224
Base-Backbone interact. energy: -1.877
local terms energy: -748.372054
where:
bonds (distance) C4'-P energy: -123.672
bonds (distance) P-C4' energy: -125.323
flat angles C4'-P-C4' energy: -159.775
flat angles P-C4'-P energy: -100.244
tors. eta vs tors. theta energy: -239.358
Dist. restrs. and SS energy: 8.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2443.170558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.170558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.966218 (E_RNA)
where:
Base-Base interactions energy: -1759.764
where: short stacking energy: -697.689
Base-Backbone interact. energy: -2.680
local terms energy: -687.522127
where:
bonds (distance) C4'-P energy: -106.990
bonds (distance) P-C4' energy: -118.801
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -223.665
Dist. restrs. and SS energy: 6.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2336.737937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.737937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.954450 (E_RNA)
where:
Base-Base interactions energy: -1679.800
where: short stacking energy: -678.530
Base-Backbone interact. energy: -1.569
local terms energy: -664.585203
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -149.772
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -206.340
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: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2208.891641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.891641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.769098 (E_RNA)
where:
Base-Base interactions energy: -1555.425
where: short stacking energy: -618.983
Base-Backbone interact. energy: -1.810
local terms energy: -658.533444
where:
bonds (distance) C4'-P energy: -115.596
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -145.929
flat angles P-C4'-P energy: -81.583
tors. eta vs tors. theta energy: -188.710
Dist. restrs. and SS energy: 6.877 (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: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -2063.550207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.550207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.737195 (E_RNA)
where:
Base-Base interactions energy: -1511.685
where: short stacking energy: -600.957
Base-Backbone interact. energy: -0.740
local terms energy: -564.312545
where:
bonds (distance) C4'-P energy: -100.814
bonds (distance) P-C4' energy: -90.989
flat angles C4'-P-C4' energy: -128.392
flat angles P-C4'-P energy: -74.812
tors. eta vs tors. theta energy: -169.305
Dist. restrs. and SS energy: 13.187 (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: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1964.386705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.386705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.647197 (E_RNA)
where:
Base-Base interactions energy: -1379.082
where: short stacking energy: -557.844
Base-Backbone interact. energy: 0.016
local terms energy: -604.581270
where:
bonds (distance) C4'-P energy: -126.931
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -134.773
flat angles P-C4'-P energy: -76.747
tors. eta vs tors. theta energy: -164.360
Dist. restrs. and SS energy: 19.260 (S_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: 396
Temperature: 0.900000
Total energy: -2760.048817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.812149 (E_RNA)
where:
Base-Base interactions energy: -1942.661
where: short stacking energy: -805.378
Base-Backbone interact. energy: -0.337
local terms energy: -824.814709
where:
bonds (distance) C4'-P energy: -141.952
bonds (distance) P-C4' energy: -144.787
flat angles C4'-P-C4' energy: -166.043
flat angles P-C4'-P energy: -115.343
tors. eta vs tors. theta energy: -256.691
Dist. restrs. and SS energy: 7.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2723.545007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.545007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.323460 (E_RNA)
where:
Base-Base interactions energy: -1911.116
where: short stacking energy: -772.029
Base-Backbone interact. energy: 0.798
local terms energy: -820.005118
where:
bonds (distance) C4'-P energy: -145.433
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -166.944
flat angles P-C4'-P energy: -106.176
tors. eta vs tors. theta energy: -249.660
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: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2665.851727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.851727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.400155 (E_RNA)
where:
Base-Base interactions energy: -1876.573
where: short stacking energy: -777.190
Base-Backbone interact. energy: -0.899
local terms energy: -797.927961
where:
bonds (distance) C4'-P energy: -126.360
bonds (distance) P-C4' energy: -142.969
flat angles C4'-P-C4' energy: -167.568
flat angles P-C4'-P energy: -116.284
tors. eta vs tors. theta energy: -244.747
Dist. restrs. and SS energy: 9.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2588.460603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.460603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.737942 (E_RNA)
where:
Base-Base interactions energy: -1833.886
where: short stacking energy: -740.404
Base-Backbone interact. energy: 1.000
local terms energy: -759.852245
where:
bonds (distance) C4'-P energy: -131.562
bonds (distance) P-C4' energy: -141.887
flat angles C4'-P-C4' energy: -155.408
flat angles P-C4'-P energy: -99.311
tors. eta vs tors. theta energy: -231.685
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: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2435.409466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.409466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.092377 (E_RNA)
where:
Base-Base interactions energy: -1717.700
where: short stacking energy: -687.666
Base-Backbone interact. energy: -3.993
local terms energy: -719.399345
where:
bonds (distance) C4'-P energy: -117.643
bonds (distance) P-C4' energy: -140.538
flat angles C4'-P-C4' energy: -152.520
flat angles P-C4'-P energy: -101.432
tors. eta vs tors. theta energy: -207.267
Dist. restrs. and SS energy: 5.683 (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: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2512.835273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.835273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.167842 (E_RNA)
where:
Base-Base interactions energy: -1774.273
where: short stacking energy: -718.217
Base-Backbone interact. energy: -2.139
local terms energy: -745.755812
where:
bonds (distance) C4'-P energy: -126.567
bonds (distance) P-C4' energy: -135.633
flat angles C4'-P-C4' energy: -150.474
flat angles P-C4'-P energy: -100.408
tors. eta vs tors. theta energy: -232.674
Dist. restrs. and SS energy: 9.333 (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: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2312.325241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.325241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.310492 (E_RNA)
where:
Base-Base interactions energy: -1634.380
where: short stacking energy: -666.551
Base-Backbone interact. energy: -2.070
local terms energy: -681.860943
where:
bonds (distance) C4'-P energy: -125.161
bonds (distance) P-C4' energy: -123.165
flat angles C4'-P-C4' energy: -137.027
flat angles P-C4'-P energy: -92.854
tors. eta vs tors. theta energy: -203.654
Dist. restrs. and SS energy: 5.985 (S_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: 396
Temperature: 1.250000
Total energy: -2242.418394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.418394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.668047 (E_RNA)
where:
Base-Base interactions energy: -1588.382
where: short stacking energy: -636.794
Base-Backbone interact. energy: 1.145
local terms energy: -662.431332
where:
bonds (distance) C4'-P energy: -127.305
bonds (distance) P-C4' energy: -112.599
flat angles C4'-P-C4' energy: -141.696
flat angles P-C4'-P energy: -88.321
tors. eta vs tors. theta energy: -192.510
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: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -2060.126770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.126770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.896996 (E_RNA)
where:
Base-Base interactions energy: -1484.172
where: short stacking energy: -579.153
Base-Backbone interact. energy: -0.976
local terms energy: -595.749043
where:
bonds (distance) C4'-P energy: -111.773
bonds (distance) P-C4' energy: -124.616
flat angles C4'-P-C4' energy: -105.796
flat angles P-C4'-P energy: -90.478
tors. eta vs tors. theta energy: -163.086
Dist. restrs. and SS energy: 20.770 (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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -2016.140989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.140989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.554655 (E_RNA)
where:
Base-Base interactions energy: -1464.699
where: short stacking energy: -589.965
Base-Backbone interact. energy: -3.494
local terms energy: -565.361770
where:
bonds (distance) C4'-P energy: -100.346
bonds (distance) P-C4' energy: -92.436
flat angles C4'-P-C4' energy: -118.060
flat angles P-C4'-P energy: -98.910
tors. eta vs tors. theta energy: -155.609
Dist. restrs. and SS energy: 17.414 (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: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2756.745470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.745470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.571094 (E_RNA)
where:
Base-Base interactions energy: -1946.156
where: short stacking energy: -812.092
Base-Backbone interact. energy: -3.663
local terms energy: -813.752355
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -133.396
flat angles C4'-P-C4' energy: -176.223
flat angles P-C4'-P energy: -127.759
tors. eta vs tors. theta energy: -245.801
Dist. restrs. and SS energy: 6.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2688.519512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.519512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.169579 (E_RNA)
where:
Base-Base interactions energy: -1906.586
where: short stacking energy: -770.122
Base-Backbone interact. energy: 3.336
local terms energy: -791.918756
where:
bonds (distance) C4'-P energy: -147.627
bonds (distance) P-C4' energy: -152.356
flat angles C4'-P-C4' energy: -154.433
flat angles P-C4'-P energy: -98.242
tors. eta vs tors. theta energy: -239.261
Dist. restrs. and SS energy: 6.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2631.635138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.635138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.260194 (E_RNA)
where:
Base-Base interactions energy: -1857.224
where: short stacking energy: -770.924
Base-Backbone interact. energy: -0.028
local terms energy: -783.008229
where:
bonds (distance) C4'-P energy: -124.779
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -170.955
flat angles P-C4'-P energy: -117.252
tors. eta vs tors. theta energy: -238.387
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2610.623025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.623025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.870621 (E_RNA)
where:
Base-Base interactions energy: -1834.191
where: short stacking energy: -742.859
Base-Backbone interact. energy: -2.178
local terms energy: -778.501828
where:
bonds (distance) C4'-P energy: -130.620
bonds (distance) P-C4' energy: -130.339
flat angles C4'-P-C4' energy: -171.100
flat angles P-C4'-P energy: -112.135
tors. eta vs tors. theta energy: -234.307
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2486.128086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.128086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.803634 (E_RNA)
where:
Base-Base interactions energy: -1761.725
where: short stacking energy: -735.010
Base-Backbone interact. energy: -3.304
local terms energy: -727.774573
where:
bonds (distance) C4'-P energy: -114.977
bonds (distance) P-C4' energy: -130.555
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -105.996
tors. eta vs tors. theta energy: -226.955
Dist. restrs. and SS energy: 6.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2470.103859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.103859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.380370 (E_RNA)
where:
Base-Base interactions energy: -1793.313
where: short stacking energy: -713.528
Base-Backbone interact. energy: 0.123
local terms energy: -684.190062
where:
bonds (distance) C4'-P energy: -108.264
bonds (distance) P-C4' energy: -116.311
flat angles C4'-P-C4' energy: -147.587
flat angles P-C4'-P energy: -92.900
tors. eta vs tors. theta energy: -219.129
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: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2301.329535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.329535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.240396 (E_RNA)
where:
Base-Base interactions energy: -1642.908
where: short stacking energy: -671.063
Base-Backbone interact. energy: -0.258
local terms energy: -664.075086
where:
bonds (distance) C4'-P energy: -120.884
bonds (distance) P-C4' energy: -109.759
flat angles C4'-P-C4' energy: -147.269
flat angles P-C4'-P energy: -76.366
tors. eta vs tors. theta energy: -209.797
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: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2229.159356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.159356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.031938 (E_RNA)
where:
Base-Base interactions energy: -1606.493
where: short stacking energy: -675.080
Base-Backbone interact. energy: 3.428
local terms energy: -634.966784
where:
bonds (distance) C4'-P energy: -109.306
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -154.836
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -184.421
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: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -2033.846659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.846659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.429762 (E_RNA)
where:
Base-Base interactions energy: -1434.587
where: short stacking energy: -562.719
Base-Backbone interact. energy: -0.619
local terms energy: -623.224015
where:
bonds (distance) C4'-P energy: -108.093
bonds (distance) P-C4' energy: -122.727
flat angles C4'-P-C4' energy: -129.323
flat angles P-C4'-P energy: -86.305
tors. eta vs tors. theta energy: -176.776
Dist. restrs. and SS energy: 24.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -2044.702006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.702006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.605042 (E_RNA)
where:
Base-Base interactions energy: -1451.495
where: short stacking energy: -556.340
Base-Backbone interact. energy: -2.428
local terms energy: -602.681890
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -106.177
flat angles C4'-P-C4' energy: -115.296
flat angles P-C4'-P energy: -85.731
tors. eta vs tors. theta energy: -175.760
Dist. restrs. and SS energy: 11.903 (S_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: 398
Temperature: 0.900000
Total energy: -2765.106491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.106491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.635635 (E_RNA)
where:
Base-Base interactions energy: -1972.874
where: short stacking energy: -817.027
Base-Backbone interact. energy: 0.354
local terms energy: -800.115742
where:
bonds (distance) C4'-P energy: -135.906
bonds (distance) P-C4' energy: -136.074
flat angles C4'-P-C4' energy: -163.097
flat angles P-C4'-P energy: -114.230
tors. eta vs tors. theta energy: -250.809
Dist. restrs. and SS energy: 7.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2727.551609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.551609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.435742 (E_RNA)
where:
Base-Base interactions energy: -1957.218
where: short stacking energy: -806.756
Base-Backbone interact. energy: 7.642
local terms energy: -784.859617
where:
bonds (distance) C4'-P energy: -126.920
bonds (distance) P-C4' energy: -129.609
flat angles C4'-P-C4' energy: -169.667
flat angles P-C4'-P energy: -111.783
tors. eta vs tors. theta energy: -246.880
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: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2631.761434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.761434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.186191 (E_RNA)
where:
Base-Base interactions energy: -1837.991
where: short stacking energy: -761.983
Base-Backbone interact. energy: -2.124
local terms energy: -795.071283
where:
bonds (distance) C4'-P energy: -125.544
bonds (distance) P-C4' energy: -144.484
flat angles C4'-P-C4' energy: -164.052
flat angles P-C4'-P energy: -110.422
tors. eta vs tors. theta energy: -250.569
Dist. restrs. and SS energy: 3.425 (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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2557.221223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.221223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.398767 (E_RNA)
where:
Base-Base interactions energy: -1829.619
where: short stacking energy: -764.513
Base-Backbone interact. energy: 0.584
local terms energy: -738.363010
where:
bonds (distance) C4'-P energy: -116.793
bonds (distance) P-C4' energy: -129.234
flat angles C4'-P-C4' energy: -148.613
flat angles P-C4'-P energy: -100.104
tors. eta vs tors. theta energy: -243.618
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: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2517.300372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.300372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.331380 (E_RNA)
where:
Base-Base interactions energy: -1793.222
where: short stacking energy: -738.303
Base-Backbone interact. energy: -1.595
local terms energy: -733.515054
where:
bonds (distance) C4'-P energy: -109.148
bonds (distance) P-C4' energy: -133.705
flat angles C4'-P-C4' energy: -160.938
flat angles P-C4'-P energy: -99.579
tors. eta vs tors. theta energy: -230.144
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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2488.487722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.487722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.212337 (E_RNA)
where:
Base-Base interactions energy: -1805.415
where: short stacking energy: -709.593
Base-Backbone interact. energy: -0.106
local terms energy: -688.691435
where:
bonds (distance) C4'-P energy: -110.831
bonds (distance) P-C4' energy: -113.743
flat angles C4'-P-C4' energy: -154.528
flat angles P-C4'-P energy: -96.630
tors. eta vs tors. theta energy: -212.960
Dist. restrs. and SS energy: 5.725 (S_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: 398
Temperature: 1.200000
Total energy: -2284.967574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.967574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.750063 (E_RNA)
where:
Base-Base interactions energy: -1646.717
where: short stacking energy: -655.247
Base-Backbone interact. energy: -1.539
local terms energy: -642.493767
where:
bonds (distance) C4'-P energy: -115.694
bonds (distance) P-C4' energy: -108.654
flat angles C4'-P-C4' energy: -134.351
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -190.470
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: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2250.453763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.453763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.954280 (E_RNA)
where:
Base-Base interactions energy: -1604.463
where: short stacking energy: -632.790
Base-Backbone interact. energy: 2.358
local terms energy: -651.849952
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -112.600
flat angles C4'-P-C4' energy: -141.121
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -194.172
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -2051.718818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.718818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.538749 (E_RNA)
where:
Base-Base interactions energy: -1458.614
where: short stacking energy: -589.683
Base-Backbone interact. energy: -0.537
local terms energy: -613.386859
where:
bonds (distance) C4'-P energy: -127.188
bonds (distance) P-C4' energy: -118.014
flat angles C4'-P-C4' energy: -107.765
flat angles P-C4'-P energy: -82.670
tors. eta vs tors. theta energy: -177.750
Dist. restrs. and SS energy: 20.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -2012.760210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.760210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.903657 (E_RNA)
where:
Base-Base interactions energy: -1436.052
where: short stacking energy: -575.264
Base-Backbone interact. energy: 0.533
local terms energy: -601.384444
where:
bonds (distance) C4'-P energy: -93.229
bonds (distance) P-C4' energy: -123.462
flat angles C4'-P-C4' energy: -139.182
flat angles P-C4'-P energy: -75.030
tors. eta vs tors. theta energy: -170.481
Dist. restrs. and SS energy: 24.143 (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: 399
Temperature: 0.900000
Total energy: -2766.974967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.974967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.334828 (E_RNA)
where:
Base-Base interactions energy: -1957.122
where: short stacking energy: -816.433
Base-Backbone interact. energy: -2.590
local terms energy: -814.622744
where:
bonds (distance) C4'-P energy: -130.895
bonds (distance) P-C4' energy: -138.764
flat angles C4'-P-C4' energy: -167.471
flat angles P-C4'-P energy: -121.199
tors. eta vs tors. theta energy: -256.293
Dist. restrs. and SS energy: 7.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2689.717275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.717275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.655675 (E_RNA)
where:
Base-Base interactions energy: -1910.708
where: short stacking energy: -769.536
Base-Backbone interact. energy: 3.165
local terms energy: -788.112301
where:
bonds (distance) C4'-P energy: -128.322
bonds (distance) P-C4' energy: -145.114
flat angles C4'-P-C4' energy: -166.858
flat angles P-C4'-P energy: -109.300
tors. eta vs tors. theta energy: -238.518
Dist. restrs. and SS energy: 5.938 (S_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: 399
Temperature: 1.000000
Total energy: -2640.910441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.910441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.185705 (E_RNA)
where:
Base-Base interactions energy: -1866.043
where: short stacking energy: -786.717
Base-Backbone interact. energy: -1.359
local terms energy: -777.783289
where:
bonds (distance) C4'-P energy: -116.629
bonds (distance) P-C4' energy: -134.310
flat angles C4'-P-C4' energy: -160.138
flat angles P-C4'-P energy: -119.030
tors. eta vs tors. theta energy: -247.676
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: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2608.551670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.551670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.392427 (E_RNA)
where:
Base-Base interactions energy: -1862.311
where: short stacking energy: -754.630
Base-Backbone interact. energy: -1.604
local terms energy: -755.476811
where:
bonds (distance) C4'-P energy: -114.811
bonds (distance) P-C4' energy: -130.142
flat angles C4'-P-C4' energy: -157.874
flat angles P-C4'-P energy: -109.055
tors. eta vs tors. theta energy: -243.596
Dist. restrs. and SS energy: 10.841 (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: 399
Temperature: 1.100000
Total energy: -2461.082969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.082969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.601688 (E_RNA)
where:
Base-Base interactions energy: -1740.255
where: short stacking energy: -708.423
Base-Backbone interact. energy: -3.934
local terms energy: -725.412297
where:
bonds (distance) C4'-P energy: -106.586
bonds (distance) P-C4' energy: -132.361
flat angles C4'-P-C4' energy: -156.152
flat angles P-C4'-P energy: -102.925
tors. eta vs tors. theta energy: -227.389
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: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2436.890476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.890476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.816993 (E_RNA)
where:
Base-Base interactions energy: -1744.648
where: short stacking energy: -685.506
Base-Backbone interact. energy: -1.211
local terms energy: -695.957976
where:
bonds (distance) C4'-P energy: -124.353
bonds (distance) P-C4' energy: -138.409
flat angles C4'-P-C4' energy: -135.133
flat angles P-C4'-P energy: -93.368
tors. eta vs tors. theta energy: -204.696
Dist. restrs. and SS energy: 4.927 (S_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: 399
Temperature: 1.200000
Total energy: -2287.132819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.132819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.433569 (E_RNA)
where:
Base-Base interactions energy: -1622.592
where: short stacking energy: -662.291
Base-Backbone interact. energy: 2.936
local terms energy: -673.777422
where:
bonds (distance) C4'-P energy: -125.467
bonds (distance) P-C4' energy: -122.131
flat angles C4'-P-C4' energy: -140.588
flat angles P-C4'-P energy: -92.458
tors. eta vs tors. theta energy: -193.133
Dist. restrs. and SS energy: 6.301 (S_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: 399
Temperature: 1.250000
Total energy: -2303.285854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.285854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.795261 (E_RNA)
where:
Base-Base interactions energy: -1661.979
where: short stacking energy: -649.237
Base-Backbone interact. energy: 1.508
local terms energy: -650.324547
where:
bonds (distance) C4'-P energy: -114.681
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -146.723
flat angles P-C4'-P energy: -91.948
tors. eta vs tors. theta energy: -203.871
Dist. restrs. and SS energy: 7.509 (S_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: 399
Temperature: 1.300000
Total energy: -2046.109721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.109721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.381786 (E_RNA)
where:
Base-Base interactions energy: -1447.652
where: short stacking energy: -570.261
Base-Backbone interact. energy: -2.226
local terms energy: -602.503844
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -122.185
flat angles P-C4'-P energy: -79.374
tors. eta vs tors. theta energy: -183.638
Dist. restrs. and SS energy: 6.272 (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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -2003.513341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.513341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.024039 (E_RNA)
where:
Base-Base interactions energy: -1440.429
where: short stacking energy: -564.751
Base-Backbone interact. energy: -1.088
local terms energy: -586.507337
where:
bonds (distance) C4'-P energy: -110.956
bonds (distance) P-C4' energy: -116.547
flat angles C4'-P-C4' energy: -130.445
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -162.961
Dist. restrs. and SS energy: 24.511 (S_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: 400
Temperature: 0.900000
Total energy: -2763.811918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.811918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.461598 (E_RNA)
where:
Base-Base interactions energy: -1953.064
where: short stacking energy: -788.241
Base-Backbone interact. energy: -2.882
local terms energy: -815.515354
where:
bonds (distance) C4'-P energy: -129.433
bonds (distance) P-C4' energy: -154.062
flat angles C4'-P-C4' energy: -165.860
flat angles P-C4'-P energy: -112.380
tors. eta vs tors. theta energy: -253.780
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: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2720.571960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.571960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.096767 (E_RNA)
where:
Base-Base interactions energy: -1964.621
where: short stacking energy: -805.647
Base-Backbone interact. energy: -1.287
local terms energy: -761.187938
where:
bonds (distance) C4'-P energy: -117.254
bonds (distance) P-C4' energy: -132.324
flat angles C4'-P-C4' energy: -163.185
flat angles P-C4'-P energy: -106.928
tors. eta vs tors. theta energy: -241.498
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: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2666.978720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.978720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.036513 (E_RNA)
where:
Base-Base interactions energy: -1922.922
where: short stacking energy: -786.463
Base-Backbone interact. energy: -0.251
local terms energy: -747.863011
where:
bonds (distance) C4'-P energy: -111.406
bonds (distance) P-C4' energy: -121.454
flat angles C4'-P-C4' energy: -162.460
flat angles P-C4'-P energy: -104.924
tors. eta vs tors. theta energy: -247.619
Dist. restrs. and SS energy: 4.058 (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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2596.167067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.167067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.440224 (E_RNA)
where:
Base-Base interactions energy: -1846.060
where: short stacking energy: -750.229
Base-Backbone interact. energy: -3.382
local terms energy: -753.998504
where:
bonds (distance) C4'-P energy: -119.848
bonds (distance) P-C4' energy: -135.182
flat angles C4'-P-C4' energy: -160.529
flat angles P-C4'-P energy: -104.158
tors. eta vs tors. theta energy: -234.283
Dist. restrs. and SS energy: 7.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2544.870979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.870979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.180242 (E_RNA)
where:
Base-Base interactions energy: -1826.029
where: short stacking energy: -743.252
Base-Backbone interact. energy: -2.385
local terms energy: -724.766154
where:
bonds (distance) C4'-P energy: -124.592
bonds (distance) P-C4' energy: -116.535
flat angles C4'-P-C4' energy: -145.634
flat angles P-C4'-P energy: -97.141
tors. eta vs tors. theta energy: -240.865
Dist. restrs. and SS energy: 8.309 (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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2446.456581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.456581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.917676 (E_RNA)
where:
Base-Base interactions energy: -1767.429
where: short stacking energy: -700.142
Base-Backbone interact. energy: -1.837
local terms energy: -687.651156
where:
bonds (distance) C4'-P energy: -105.586
bonds (distance) P-C4' energy: -125.220
flat angles C4'-P-C4' energy: -141.476
flat angles P-C4'-P energy: -92.901
tors. eta vs tors. theta energy: -222.468
Dist. restrs. and SS energy: 10.461 (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: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2353.179019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.179019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.871391 (E_RNA)
where:
Base-Base interactions energy: -1690.043
where: short stacking energy: -693.920
Base-Backbone interact. energy: 5.612
local terms energy: -679.440062
where:
bonds (distance) C4'-P energy: -132.613
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -140.369
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -211.361
Dist. restrs. and SS energy: 10.692 (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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2276.845306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.845306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.497749 (E_RNA)
where:
Base-Base interactions energy: -1635.560
where: short stacking energy: -654.399
Base-Backbone interact. energy: 0.085
local terms energy: -650.023054
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -102.162
flat angles C4'-P-C4' energy: -146.463
flat angles P-C4'-P energy: -96.061
tors. eta vs tors. theta energy: -194.780
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: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2219.185753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.185753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.674099 (E_RNA)
where:
Base-Base interactions energy: -1582.311
where: short stacking energy: -642.071
Base-Backbone interact. energy: -1.340
local terms energy: -650.023371
where:
bonds (distance) C4'-P energy: -113.881
bonds (distance) P-C4' energy: -106.106
flat angles C4'-P-C4' energy: -142.461
flat angles P-C4'-P energy: -90.536
tors. eta vs tors. theta energy: -197.040
Dist. restrs. and SS energy: 14.488 (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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1962.318651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.318651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.258035 (E_RNA)
where:
Base-Base interactions energy: -1402.681
where: short stacking energy: -561.188
Base-Backbone interact. energy: -1.863
local terms energy: -578.714253
where:
bonds (distance) C4'-P energy: -104.090
bonds (distance) P-C4' energy: -111.228
flat angles C4'-P-C4' energy: -114.048
flat angles P-C4'-P energy: -80.091
tors. eta vs tors. theta energy: -169.257
Dist. restrs. and SS energy: 20.939 (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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2751.245586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.245586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.872939 (E_RNA)
where:
Base-Base interactions energy: -1934.631
where: short stacking energy: -795.546
Base-Backbone interact. energy: 1.198
local terms energy: -825.439815
where:
bonds (distance) C4'-P energy: -140.195
bonds (distance) P-C4' energy: -151.379
flat angles C4'-P-C4' energy: -177.495
flat angles P-C4'-P energy: -113.084
tors. eta vs tors. theta energy: -243.286
Dist. restrs. and SS energy: 7.627 (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: 401
Temperature: 0.950000
Total energy: -2726.229586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.229586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.557595 (E_RNA)
where:
Base-Base interactions energy: -1928.106
where: short stacking energy: -803.496
Base-Backbone interact. energy: -1.142
local terms energy: -805.308883
where:
bonds (distance) C4'-P energy: -125.371
bonds (distance) P-C4' energy: -137.505
flat angles C4'-P-C4' energy: -171.637
flat angles P-C4'-P energy: -120.262
tors. eta vs tors. theta energy: -250.533
Dist. restrs. and SS energy: 8.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2668.460815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.460815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.060176 (E_RNA)
where:
Base-Base interactions energy: -1882.831
where: short stacking energy: -791.587
Base-Backbone interact. energy: 1.782
local terms energy: -794.011157
where:
bonds (distance) C4'-P energy: -132.924
bonds (distance) P-C4' energy: -120.454
flat angles C4'-P-C4' energy: -168.434
flat angles P-C4'-P energy: -117.911
tors. eta vs tors. theta energy: -254.289
Dist. restrs. and SS energy: 6.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2557.948305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.948305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.690806 (E_RNA)
where:
Base-Base interactions energy: -1804.079
where: short stacking energy: -733.301
Base-Backbone interact. energy: -0.463
local terms energy: -762.148335
where:
bonds (distance) C4'-P energy: -124.900
bonds (distance) P-C4' energy: -138.190
flat angles C4'-P-C4' energy: -148.088
flat angles P-C4'-P energy: -112.986
tors. eta vs tors. theta energy: -237.984
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2553.991027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.991027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.422696 (E_RNA)
where:
Base-Base interactions energy: -1821.699
where: short stacking energy: -712.509
Base-Backbone interact. energy: -2.824
local terms energy: -736.899130
where:
bonds (distance) C4'-P energy: -131.161
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -158.626
flat angles P-C4'-P energy: -105.828
tors. eta vs tors. theta energy: -224.591
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: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2435.100263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.100263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.675970 (E_RNA)
where:
Base-Base interactions energy: -1761.884
where: short stacking energy: -706.194
Base-Backbone interact. energy: -0.167
local terms energy: -680.624944
where:
bonds (distance) C4'-P energy: -102.574
bonds (distance) P-C4' energy: -129.483
flat angles C4'-P-C4' energy: -129.103
flat angles P-C4'-P energy: -108.524
tors. eta vs tors. theta energy: -210.942
Dist. restrs. and SS energy: 7.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2357.292656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.292656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.586412 (E_RNA)
where:
Base-Base interactions energy: -1642.339
where: short stacking energy: -639.473
Base-Backbone interact. energy: -0.074
local terms energy: -722.173439
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -158.777
flat angles P-C4'-P energy: -105.041
tors. eta vs tors. theta energy: -210.606
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: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2255.391090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.391090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.730197 (E_RNA)
where:
Base-Base interactions energy: -1642.613
where: short stacking energy: -676.308
Base-Backbone interact. energy: -3.442
local terms energy: -617.675574
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -108.066
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -69.449
tors. eta vs tors. theta energy: -202.795
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: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -2150.088503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.088503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.792994 (E_RNA)
where:
Base-Base interactions energy: -1548.295
where: short stacking energy: -636.413
Base-Backbone interact. energy: -0.850
local terms energy: -610.647861
where:
bonds (distance) C4'-P energy: -99.961
bonds (distance) P-C4' energy: -107.248
flat angles C4'-P-C4' energy: -126.061
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -197.279
Dist. restrs. and SS energy: 9.704 (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: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1951.694472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.694472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.337067 (E_RNA)
where:
Base-Base interactions energy: -1407.726
where: short stacking energy: -568.654
Base-Backbone interact. energy: 0.020
local terms energy: -570.630693
where:
bonds (distance) C4'-P energy: -106.175
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -125.942
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -169.852
Dist. restrs. and SS energy: 26.643 (S_DIST_RNA)
chem. 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: -2760.226737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.226737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.131078 (E_RNA)
where:
Base-Base interactions energy: -1936.313
where: short stacking energy: -778.963
Base-Backbone interact. energy: -0.754
local terms energy: -831.064074
where:
bonds (distance) C4'-P energy: -147.099
bonds (distance) P-C4' energy: -145.212
flat angles C4'-P-C4' energy: -171.090
flat angles P-C4'-P energy: -121.683
tors. eta vs tors. theta energy: -245.980
Dist. restrs. and SS energy: 7.904 (S_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: 402
Temperature: 0.950000
Total energy: -2697.391704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.391704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.417352 (E_RNA)
where:
Base-Base interactions energy: -1907.430
where: short stacking energy: -785.537
Base-Backbone interact. energy: 4.343
local terms energy: -800.330340
where:
bonds (distance) C4'-P energy: -135.357
bonds (distance) P-C4' energy: -147.511
flat angles C4'-P-C4' energy: -160.761
flat angles P-C4'-P energy: -120.020
tors. eta vs tors. theta energy: -236.681
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2637.745762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.745762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.358346 (E_RNA)
where:
Base-Base interactions energy: -1867.359
where: short stacking energy: -769.504
Base-Backbone interact. energy: -2.273
local terms energy: -774.726688
where:
bonds (distance) C4'-P energy: -136.307
bonds (distance) P-C4' energy: -125.216
flat angles C4'-P-C4' energy: -156.028
flat angles P-C4'-P energy: -111.852
tors. eta vs tors. theta energy: -245.324
Dist. restrs. and SS energy: 6.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2568.985962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.985962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.621318 (E_RNA)
where:
Base-Base interactions energy: -1809.064
where: short stacking energy: -740.540
Base-Backbone interact. energy: -2.744
local terms energy: -765.813482
where:
bonds (distance) C4'-P energy: -132.248
bonds (distance) P-C4' energy: -140.701
flat angles C4'-P-C4' energy: -159.387
flat angles P-C4'-P energy: -111.718
tors. eta vs tors. theta energy: -221.759
Dist. restrs. and SS energy: 8.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2532.070255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.070255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.712119 (E_RNA)
where:
Base-Base interactions energy: -1815.205
where: short stacking energy: -740.955
Base-Backbone interact. energy: -2.607
local terms energy: -721.900205
where:
bonds (distance) C4'-P energy: -114.208
bonds (distance) P-C4' energy: -131.277
flat angles C4'-P-C4' energy: -154.329
flat angles P-C4'-P energy: -98.070
tors. eta vs tors. theta energy: -224.016
Dist. restrs. and SS energy: 7.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2424.387401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.387401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.468830 (E_RNA)
where:
Base-Base interactions energy: -1731.050
where: short stacking energy: -685.930
Base-Backbone interact. energy: 1.025
local terms energy: -700.443727
where:
bonds (distance) C4'-P energy: -124.326
bonds (distance) P-C4' energy: -120.623
flat angles C4'-P-C4' energy: -146.170
flat angles P-C4'-P energy: -95.628
tors. eta vs tors. theta energy: -213.696
Dist. restrs. and SS energy: 6.081 (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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2336.758943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.758943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.866714 (E_RNA)
where:
Base-Base interactions energy: -1657.514
where: short stacking energy: -678.233
Base-Backbone interact. energy: -2.284
local terms energy: -685.068572
where:
bonds (distance) C4'-P energy: -123.116
bonds (distance) P-C4' energy: -112.358
flat angles C4'-P-C4' energy: -146.868
flat angles P-C4'-P energy: -88.620
tors. eta vs tors. theta energy: -214.106
Dist. restrs. and SS energy: 8.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2243.309469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.309469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.510016 (E_RNA)
where:
Base-Base interactions energy: -1626.462
where: short stacking energy: -660.800
Base-Backbone interact. energy: -0.534
local terms energy: -631.513783
where:
bonds (distance) C4'-P energy: -111.839
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -134.941
flat angles P-C4'-P energy: -82.368
tors. eta vs tors. theta energy: -196.053
Dist. restrs. and SS energy: 15.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -2159.923279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.923279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.393625 (E_RNA)
where:
Base-Base interactions energy: -1580.853
where: short stacking energy: -621.069
Base-Backbone interact. energy: -2.177
local terms energy: -593.363821
where:
bonds (distance) C4'-P energy: -112.076
bonds (distance) P-C4' energy: -92.597
flat angles C4'-P-C4' energy: -128.133
flat angles P-C4'-P energy: -76.184
tors. eta vs tors. theta energy: -184.375
Dist. restrs. and SS energy: 16.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1968.026215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.026215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.299913 (E_RNA)
where:
Base-Base interactions energy: -1387.182
where: short stacking energy: -573.606
Base-Backbone interact. energy: -1.425
local terms energy: -601.693348
where:
bonds (distance) C4'-P energy: -111.368
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -125.668
flat angles P-C4'-P energy: -89.741
tors. eta vs tors. theta energy: -170.829
Dist. restrs. and SS energy: 22.274 (S_DIST_RNA)
chem. 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: -2768.591356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.591356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.026655 (E_RNA)
where:
Base-Base interactions energy: -1965.230
where: short stacking energy: -807.201
Base-Backbone interact. energy: -2.211
local terms energy: -806.584978
where:
bonds (distance) C4'-P energy: -130.567
bonds (distance) P-C4' energy: -135.662
flat angles C4'-P-C4' energy: -172.833
flat angles P-C4'-P energy: -115.403
tors. eta vs tors. theta energy: -252.120
Dist. restrs. and SS energy: 5.435 (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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2706.400654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.400654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.869364 (E_RNA)
where:
Base-Base interactions energy: -1931.451
where: short stacking energy: -788.028
Base-Backbone interact. energy: -1.528
local terms energy: -779.889895
where:
bonds (distance) C4'-P energy: -133.525
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -158.900
flat angles P-C4'-P energy: -108.980
tors. eta vs tors. theta energy: -236.232
Dist. restrs. and SS energy: 6.469 (S_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: 403
Temperature: 1.000000
Total energy: -2603.787615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.787615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.159572 (E_RNA)
where:
Base-Base interactions energy: -1812.604
where: short stacking energy: -726.959
Base-Backbone interact. energy: -2.509
local terms energy: -794.046451
where:
bonds (distance) C4'-P energy: -136.073
bonds (distance) P-C4' energy: -145.268
flat angles C4'-P-C4' energy: -157.240
flat angles P-C4'-P energy: -119.829
tors. eta vs tors. theta energy: -235.637
Dist. restrs. and SS energy: 5.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2554.033764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.033764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.440706 (E_RNA)
where:
Base-Base interactions energy: -1809.798
where: short stacking energy: -749.041
Base-Backbone interact. energy: -2.260
local terms energy: -750.382955
where:
bonds (distance) C4'-P energy: -129.170
bonds (distance) P-C4' energy: -123.064
flat angles C4'-P-C4' energy: -161.271
flat angles P-C4'-P energy: -111.577
tors. eta vs tors. theta energy: -225.301
Dist. restrs. and SS energy: 8.407 (S_DIST_RNA)
chem. 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: -2545.969819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.969819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.163845 (E_RNA)
where:
Base-Base interactions energy: -1841.066
where: short stacking energy: -737.328
Base-Backbone interact. energy: -3.442
local terms energy: -709.655819
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -124.342
flat angles C4'-P-C4' energy: -146.979
flat angles P-C4'-P energy: -101.527
tors. eta vs tors. theta energy: -228.362
Dist. restrs. and SS energy: 8.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2437.295346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.295346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.441774 (E_RNA)
where:
Base-Base interactions energy: -1737.254
where: short stacking energy: -695.634
Base-Backbone interact. energy: -0.696
local terms energy: -706.491414
where:
bonds (distance) C4'-P energy: -129.211
bonds (distance) P-C4' energy: -112.888
flat angles C4'-P-C4' energy: -141.798
flat angles P-C4'-P energy: -100.973
tors. eta vs tors. theta energy: -221.622
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2357.771567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.771567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.105855 (E_RNA)
where:
Base-Base interactions energy: -1673.029
where: short stacking energy: -660.771
Base-Backbone interact. energy: -1.134
local terms energy: -692.942386
where:
bonds (distance) C4'-P energy: -122.027
bonds (distance) P-C4' energy: -106.209
flat angles C4'-P-C4' energy: -150.494
flat angles P-C4'-P energy: -100.121
tors. eta vs tors. theta energy: -214.091
Dist. restrs. and SS energy: 9.334 (S_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: 403
Temperature: 1.250000
Total energy: -2269.368832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.368832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.588224 (E_RNA)
where:
Base-Base interactions energy: -1613.829
where: short stacking energy: -663.415
Base-Backbone interact. energy: 0.916
local terms energy: -670.674774
where:
bonds (distance) C4'-P energy: -104.077
bonds (distance) P-C4' energy: -128.246
flat angles C4'-P-C4' energy: -133.050
flat angles P-C4'-P energy: -98.026
tors. eta vs tors. theta energy: -207.276
Dist. restrs. and SS energy: 14.219 (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: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -2112.616862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.616862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.339762 (E_RNA)
where:
Base-Base interactions energy: -1531.823
where: short stacking energy: -626.302
Base-Backbone interact. energy: -0.251
local terms energy: -591.265909
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -109.828
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -183.920
Dist. restrs. and SS energy: 10.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1966.129042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.129042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.921987 (E_RNA)
where:
Base-Base interactions energy: -1389.326
where: short stacking energy: -571.529
Base-Backbone interact. energy: 1.269
local terms energy: -605.864760
where:
bonds (distance) C4'-P energy: -116.763
bonds (distance) P-C4' energy: -125.301
flat angles C4'-P-C4' energy: -123.132
flat angles P-C4'-P energy: -72.751
tors. eta vs tors. theta energy: -167.918
Dist. restrs. and SS energy: 27.793 (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: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2749.800226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.800226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.683953 (E_RNA)
where:
Base-Base interactions energy: -1947.182
where: short stacking energy: -800.292
Base-Backbone interact. energy: -3.813
local terms energy: -806.688880
where:
bonds (distance) C4'-P energy: -118.211
bonds (distance) P-C4' energy: -143.273
flat angles C4'-P-C4' energy: -174.303
flat angles P-C4'-P energy: -119.702
tors. eta vs tors. theta energy: -251.200
Dist. restrs. and SS energy: 7.884 (S_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: 404
Temperature: 0.950000
Total energy: -2699.645783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.645783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.772831 (E_RNA)
where:
Base-Base interactions energy: -1898.422
where: short stacking energy: -803.709
Base-Backbone interact. energy: 0.927
local terms energy: -809.277283
where:
bonds (distance) C4'-P energy: -126.448
bonds (distance) P-C4' energy: -144.098
flat angles C4'-P-C4' energy: -173.635
flat angles P-C4'-P energy: -120.218
tors. eta vs tors. theta energy: -244.879
Dist. restrs. and SS energy: 7.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2640.511465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.511465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.380203 (E_RNA)
where:
Base-Base interactions energy: -1877.213
where: short stacking energy: -772.598
Base-Backbone interact. energy: 0.441
local terms energy: -767.607751
where:
bonds (distance) C4'-P energy: -124.036
bonds (distance) P-C4' energy: -123.582
flat angles C4'-P-C4' energy: -164.200
flat angles P-C4'-P energy: -118.814
tors. eta vs tors. theta energy: -236.976
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: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2574.231205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.231205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.162613 (E_RNA)
where:
Base-Base interactions energy: -1818.463
where: short stacking energy: -729.489
Base-Backbone interact. energy: 1.019
local terms energy: -765.718594
where:
bonds (distance) C4'-P energy: -124.182
bonds (distance) P-C4' energy: -137.258
flat angles C4'-P-C4' energy: -159.114
flat angles P-C4'-P energy: -116.909
tors. eta vs tors. theta energy: -228.256
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2558.342497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.342497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.113094 (E_RNA)
where:
Base-Base interactions energy: -1843.903
where: short stacking energy: -757.055
Base-Backbone interact. energy: -2.350
local terms energy: -720.859995
where:
bonds (distance) C4'-P energy: -105.326
bonds (distance) P-C4' energy: -122.187
flat angles C4'-P-C4' energy: -155.316
flat angles P-C4'-P energy: -99.391
tors. eta vs tors. theta energy: -238.639
Dist. restrs. and SS energy: 8.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2460.922454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.922454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.017973 (E_RNA)
where:
Base-Base interactions energy: -1761.591
where: short stacking energy: -720.223
Base-Backbone interact. energy: 0.044
local terms energy: -706.471078
where:
bonds (distance) C4'-P energy: -128.321
bonds (distance) P-C4' energy: -115.468
flat angles C4'-P-C4' energy: -140.278
flat angles P-C4'-P energy: -98.381
tors. eta vs tors. theta energy: -224.023
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: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2313.621905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.621905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.266310 (E_RNA)
where:
Base-Base interactions energy: -1650.115
where: short stacking energy: -672.909
Base-Backbone interact. energy: -1.276
local terms energy: -675.875631
where:
bonds (distance) C4'-P energy: -114.046
bonds (distance) P-C4' energy: -106.925
flat angles C4'-P-C4' energy: -154.590
flat angles P-C4'-P energy: -88.966
tors. eta vs tors. theta energy: -211.349
Dist. restrs. and SS energy: 13.644 (S_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: 404
Temperature: 1.250000
Total energy: -2233.744480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.744480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.317416 (E_RNA)
where:
Base-Base interactions energy: -1590.937
where: short stacking energy: -659.947
Base-Backbone interact. energy: -0.582
local terms energy: -651.797957
where:
bonds (distance) C4'-P energy: -120.411
bonds (distance) P-C4' energy: -108.053
flat angles C4'-P-C4' energy: -140.454
flat angles P-C4'-P energy: -83.717
tors. eta vs tors. theta energy: -199.162
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: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2176.057624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.057624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.902503 (E_RNA)
where:
Base-Base interactions energy: -1566.577
where: short stacking energy: -621.542
Base-Backbone interact. energy: -1.205
local terms energy: -614.120195
where:
bonds (distance) C4'-P energy: -98.668
bonds (distance) P-C4' energy: -117.945
flat angles C4'-P-C4' energy: -134.504
flat angles P-C4'-P energy: -65.276
tors. eta vs tors. theta energy: -197.729
Dist. restrs. and SS energy: 5.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1959.407781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.407781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.094987 (E_RNA)
where:
Base-Base interactions energy: -1414.762
where: short stacking energy: -563.799
Base-Backbone interact. energy: 1.695
local terms energy: -561.027831
where:
bonds (distance) C4'-P energy: -98.016
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -135.821
flat angles P-C4'-P energy: -65.853
tors. eta vs tors. theta energy: -160.175
Dist. restrs. and SS energy: 14.687 (S_DIST_RNA)
chem. 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: -2733.853178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.853178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.308680 (E_RNA)
where:
Base-Base interactions energy: -1900.504
where: short stacking energy: -776.669
Base-Backbone interact. energy: -4.829
local terms energy: -836.975777
where:
bonds (distance) C4'-P energy: -154.591
bonds (distance) P-C4' energy: -141.880
flat angles C4'-P-C4' energy: -177.819
flat angles P-C4'-P energy: -120.333
tors. eta vs tors. theta energy: -242.353
Dist. restrs. and SS energy: 8.456 (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: 405
Temperature: 0.950000
Total energy: -2699.163462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.163462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.181553 (E_RNA)
where:
Base-Base interactions energy: -1921.538
where: short stacking energy: -777.340
Base-Backbone interact. energy: 3.314
local terms energy: -785.958491
where:
bonds (distance) C4'-P energy: -134.157
bonds (distance) P-C4' energy: -139.916
flat angles C4'-P-C4' energy: -156.543
flat angles P-C4'-P energy: -115.672
tors. eta vs tors. theta energy: -239.670
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: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2643.183747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.183747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.229629 (E_RNA)
where:
Base-Base interactions energy: -1872.902
where: short stacking energy: -792.203
Base-Backbone interact. energy: -0.228
local terms energy: -774.099105
where:
bonds (distance) C4'-P energy: -125.635
bonds (distance) P-C4' energy: -147.001
flat angles C4'-P-C4' energy: -152.176
flat angles P-C4'-P energy: -104.592
tors. eta vs tors. theta energy: -244.695
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: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2576.003349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.003349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.490330 (E_RNA)
where:
Base-Base interactions energy: -1840.025
where: short stacking energy: -724.256
Base-Backbone interact. energy: -1.802
local terms energy: -740.663700
where:
bonds (distance) C4'-P energy: -143.561
bonds (distance) P-C4' energy: -123.593
flat angles C4'-P-C4' energy: -152.584
flat angles P-C4'-P energy: -99.013
tors. eta vs tors. theta energy: -221.913
Dist. restrs. and SS energy: 6.487 (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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2517.375911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.375911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.797708 (E_RNA)
where:
Base-Base interactions energy: -1792.642
where: short stacking energy: -723.819
Base-Backbone interact. energy: -1.816
local terms energy: -732.339540
where:
bonds (distance) C4'-P energy: -119.910
bonds (distance) P-C4' energy: -124.785
flat angles C4'-P-C4' energy: -149.105
flat angles P-C4'-P energy: -106.454
tors. eta vs tors. theta energy: -232.085
Dist. restrs. and SS energy: 9.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2455.836224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.836224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.442705 (E_RNA)
where:
Base-Base interactions energy: -1766.005
where: short stacking energy: -712.449
Base-Backbone interact. energy: -3.062
local terms energy: -694.376458
where:
bonds (distance) C4'-P energy: -112.448
bonds (distance) P-C4' energy: -112.860
flat angles C4'-P-C4' energy: -147.406
flat angles P-C4'-P energy: -94.515
tors. eta vs tors. theta energy: -227.147
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: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2286.875500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.875500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.083477 (E_RNA)
where:
Base-Base interactions energy: -1613.900
where: short stacking energy: -666.913
Base-Backbone interact. energy: 1.943
local terms energy: -685.125766
where:
bonds (distance) C4'-P energy: -120.687
bonds (distance) P-C4' energy: -129.480
flat angles C4'-P-C4' energy: -147.881
flat angles P-C4'-P energy: -98.299
tors. eta vs tors. theta energy: -188.779
Dist. restrs. and SS energy: 10.208 (S_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: 405
Temperature: 1.250000
Total energy: -2265.048752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.048752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.157005 (E_RNA)
where:
Base-Base interactions energy: -1620.262
where: short stacking energy: -673.360
Base-Backbone interact. energy: -0.563
local terms energy: -651.332113
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -128.884
flat angles P-C4'-P energy: -83.913
tors. eta vs tors. theta energy: -215.625
Dist. restrs. and SS energy: 7.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -2180.103930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.103930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.446774 (E_RNA)
where:
Base-Base interactions energy: -1552.226
where: short stacking energy: -610.081
Base-Backbone interact. energy: -0.856
local terms energy: -631.364870
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -121.931
flat angles C4'-P-C4' energy: -125.478
flat angles P-C4'-P energy: -94.006
tors. eta vs tors. theta energy: -194.061
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: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1968.853765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.853765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.857484 (E_RNA)
where:
Base-Base interactions energy: -1402.281
where: short stacking energy: -584.004
Base-Backbone interact. energy: -0.193
local terms energy: -592.383589
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -103.742
flat angles C4'-P-C4' energy: -132.487
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -164.436
Dist. restrs. and SS energy: 26.004 (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: 406
Temperature: 0.900000
Total energy: -2762.013605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.013605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.327754 (E_RNA)
where:
Base-Base interactions energy: -1953.862
where: short stacking energy: -805.231
Base-Backbone interact. energy: -2.887
local terms energy: -813.577961
where:
bonds (distance) C4'-P energy: -130.011
bonds (distance) P-C4' energy: -139.718
flat angles C4'-P-C4' energy: -166.593
flat angles P-C4'-P energy: -124.706
tors. eta vs tors. theta energy: -252.550
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: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2725.697275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.697275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.140248 (E_RNA)
where:
Base-Base interactions energy: -1924.294
where: short stacking energy: -783.324
Base-Backbone interact. energy: -2.687
local terms energy: -802.159252
where:
bonds (distance) C4'-P energy: -134.030
bonds (distance) P-C4' energy: -142.700
flat angles C4'-P-C4' energy: -175.053
flat angles P-C4'-P energy: -113.132
tors. eta vs tors. theta energy: -237.244
Dist. restrs. and SS energy: 3.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2674.279403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.279403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.604146 (E_RNA)
where:
Base-Base interactions energy: -1889.927
where: short stacking energy: -792.262
Base-Backbone interact. energy: -2.438
local terms energy: -787.239089
where:
bonds (distance) C4'-P energy: -134.286
bonds (distance) P-C4' energy: -137.484
flat angles C4'-P-C4' energy: -159.619
flat angles P-C4'-P energy: -109.875
tors. eta vs tors. theta energy: -245.974
Dist. restrs. and SS energy: 5.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2552.241548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.241548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.805508 (E_RNA)
where:
Base-Base interactions energy: -1801.026
where: short stacking energy: -737.819
Base-Backbone interact. energy: -3.011
local terms energy: -755.768156
where:
bonds (distance) C4'-P energy: -139.056
bonds (distance) P-C4' energy: -126.049
flat angles C4'-P-C4' energy: -160.098
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -227.322
Dist. restrs. and SS energy: 7.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2541.276064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.276064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.097194 (E_RNA)
where:
Base-Base interactions energy: -1796.126
where: short stacking energy: -722.108
Base-Backbone interact. energy: -1.930
local terms energy: -750.041265
where:
bonds (distance) C4'-P energy: -122.657
bonds (distance) P-C4' energy: -132.557
flat angles C4'-P-C4' energy: -153.548
flat angles P-C4'-P energy: -120.698
tors. eta vs tors. theta energy: -220.581
Dist. restrs. and SS energy: 6.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2443.324913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.387169 (E_RNA)
where:
Base-Base interactions energy: -1744.153
where: short stacking energy: -710.432
Base-Backbone interact. energy: -2.992
local terms energy: -705.242333
where:
bonds (distance) C4'-P energy: -104.017
bonds (distance) P-C4' energy: -111.850
flat angles C4'-P-C4' energy: -152.363
flat angles P-C4'-P energy: -105.782
tors. eta vs tors. theta energy: -231.231
Dist. restrs. and SS energy: 9.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2263.641232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.641232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.607671 (E_RNA)
where:
Base-Base interactions energy: -1613.104
where: short stacking energy: -635.996
Base-Backbone interact. energy: -2.498
local terms energy: -655.005761
where:
bonds (distance) C4'-P energy: -115.543
bonds (distance) P-C4' energy: -113.597
flat angles C4'-P-C4' energy: -128.427
flat angles P-C4'-P energy: -86.923
tors. eta vs tors. theta energy: -210.516
Dist. restrs. and SS energy: 6.966 (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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2254.582118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.582118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.098563 (E_RNA)
where:
Base-Base interactions energy: -1610.113
where: short stacking energy: -664.207
Base-Backbone interact. energy: -0.552
local terms energy: -651.432903
where:
bonds (distance) C4'-P energy: -103.937
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -133.477
flat angles P-C4'-P energy: -94.222
tors. eta vs tors. theta energy: -203.193
Dist. restrs. and SS energy: 7.516 (S_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: 406
Temperature: 1.300000
Total energy: -2174.169918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.169918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.047977 (E_RNA)
where:
Base-Base interactions energy: -1535.411
where: short stacking energy: -609.990
Base-Backbone interact. energy: -2.289
local terms energy: -641.348194
where:
bonds (distance) C4'-P energy: -107.649
bonds (distance) P-C4' energy: -118.667
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -89.194
tors. eta vs tors. theta energy: -196.981
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1928.478526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.478526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.326675 (E_RNA)
where:
Base-Base interactions energy: -1374.456
where: short stacking energy: -541.323
Base-Backbone interact. energy: 2.604
local terms energy: -576.474474
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -109.291
flat angles C4'-P-C4' energy: -135.776
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -160.317
Dist. restrs. and SS energy: 19.848 (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: 407
Temperature: 0.900000
Total energy: -2738.815081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.815081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.774041 (E_RNA)
where:
Base-Base interactions energy: -1938.067
where: short stacking energy: -813.156
Base-Backbone interact. energy: -0.189
local terms energy: -809.518370
where:
bonds (distance) C4'-P energy: -134.772
bonds (distance) P-C4' energy: -137.996
flat angles C4'-P-C4' energy: -162.469
flat angles P-C4'-P energy: -115.842
tors. eta vs tors. theta energy: -258.439
Dist. restrs. and SS energy: 8.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2706.724314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.724314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.546778 (E_RNA)
where:
Base-Base interactions energy: -1934.647
where: short stacking energy: -780.186
Base-Backbone interact. energy: -0.017
local terms energy: -777.882542
where:
bonds (distance) C4'-P energy: -116.184
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -168.339
flat angles P-C4'-P energy: -114.232
tors. eta vs tors. theta energy: -243.635
Dist. restrs. and SS energy: 5.822 (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: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2632.644049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.644049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.640041 (E_RNA)
where:
Base-Base interactions energy: -1849.164
where: short stacking energy: -785.559
Base-Backbone interact. energy: -3.345
local terms energy: -785.131225
where:
bonds (distance) C4'-P energy: -130.552
bonds (distance) P-C4' energy: -131.941
flat angles C4'-P-C4' energy: -156.671
flat angles P-C4'-P energy: -109.826
tors. eta vs tors. theta energy: -256.142
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2560.303050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.303050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.737124 (E_RNA)
where:
Base-Base interactions energy: -1836.228
where: short stacking energy: -714.716
Base-Backbone interact. energy: 5.671
local terms energy: -736.180590
where:
bonds (distance) C4'-P energy: -146.241
bonds (distance) P-C4' energy: -126.205
flat angles C4'-P-C4' energy: -143.291
flat angles P-C4'-P energy: -93.938
tors. eta vs tors. theta energy: -226.506
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: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2505.421820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.421820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.272520 (E_RNA)
where:
Base-Base interactions energy: -1812.197
where: short stacking energy: -738.118
Base-Backbone interact. energy: -2.929
local terms energy: -699.146199
where:
bonds (distance) C4'-P energy: -123.821
bonds (distance) P-C4' energy: -119.914
flat angles C4'-P-C4' energy: -153.354
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -215.259
Dist. restrs. and SS energy: 8.851 (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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2406.050476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.050476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.641986 (E_RNA)
where:
Base-Base interactions energy: -1720.807
where: short stacking energy: -708.729
Base-Backbone interact. energy: -0.107
local terms energy: -695.728576
where:
bonds (distance) C4'-P energy: -124.916
bonds (distance) P-C4' energy: -108.440
flat angles C4'-P-C4' energy: -146.096
flat angles P-C4'-P energy: -91.178
tors. eta vs tors. theta energy: -225.099
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: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2263.557380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.557380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.613281 (E_RNA)
where:
Base-Base interactions energy: -1636.817
where: short stacking energy: -640.320
Base-Backbone interact. energy: -1.047
local terms energy: -634.749253
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -140.679
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -189.309
Dist. restrs. and SS energy: 9.056 (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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2259.928490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.928490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.877460 (E_RNA)
where:
Base-Base interactions energy: -1631.333
where: short stacking energy: -649.284
Base-Backbone interact. energy: 0.893
local terms energy: -640.437808
where:
bonds (distance) C4'-P energy: -112.220
bonds (distance) P-C4' energy: -114.818
flat angles C4'-P-C4' energy: -129.513
flat angles P-C4'-P energy: -84.446
tors. eta vs tors. theta energy: -199.441
Dist. restrs. and SS energy: 10.949 (S_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: 407
Temperature: 1.300000
Total energy: -2142.306886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.306886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.127614 (E_RNA)
where:
Base-Base interactions energy: -1545.969
where: short stacking energy: -616.182
Base-Backbone interact. energy: -0.942
local terms energy: -610.216308
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -106.019
flat angles C4'-P-C4' energy: -126.188
flat angles P-C4'-P energy: -81.034
tors. eta vs tors. theta energy: -175.461
Dist. restrs. and SS energy: 14.821 (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: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1961.441890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.441890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.109422 (E_RNA)
where:
Base-Base interactions energy: -1411.652
where: short stacking energy: -575.528
Base-Backbone interact. energy: 5.256
local terms energy: -579.713791
where:
bonds (distance) C4'-P energy: -106.094
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -124.138
flat angles P-C4'-P energy: -72.670
tors. eta vs tors. theta energy: -171.732
Dist. restrs. and SS energy: 24.668 (S_DIST_RNA)
chem. 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: -2750.286087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.286087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.874878 (E_RNA)
where:
Base-Base interactions energy: -1965.871
where: short stacking energy: -818.545
Base-Backbone interact. energy: -2.310
local terms energy: -790.693631
where:
bonds (distance) C4'-P energy: -132.808
bonds (distance) P-C4' energy: -147.088
flat angles C4'-P-C4' energy: -151.726
flat angles P-C4'-P energy: -111.171
tors. eta vs tors. theta energy: -247.900
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2718.726665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.726665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.412297 (E_RNA)
where:
Base-Base interactions energy: -1915.360
where: short stacking energy: -768.109
Base-Backbone interact. energy: -4.791
local terms energy: -804.261303
where:
bonds (distance) C4'-P energy: -131.717
bonds (distance) P-C4' energy: -151.241
flat angles C4'-P-C4' energy: -165.809
flat angles P-C4'-P energy: -120.687
tors. eta vs tors. theta energy: -234.807
Dist. restrs. and SS energy: 5.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2652.023981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.023981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.168606 (E_RNA)
where:
Base-Base interactions energy: -1883.203
where: short stacking energy: -754.920
Base-Backbone interact. energy: -1.373
local terms energy: -770.592692
where:
bonds (distance) C4'-P energy: -121.945
bonds (distance) P-C4' energy: -134.530
flat angles C4'-P-C4' energy: -159.058
flat angles P-C4'-P energy: -118.106
tors. eta vs tors. theta energy: -236.954
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2593.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.418932 (E_RNA)
where:
Base-Base interactions energy: -1859.448
where: short stacking energy: -724.209
Base-Backbone interact. energy: 5.202
local terms energy: -745.173011
where:
bonds (distance) C4'-P energy: -116.540
bonds (distance) P-C4' energy: -133.125
flat angles C4'-P-C4' energy: -160.430
flat angles P-C4'-P energy: -106.643
tors. eta vs tors. theta energy: -228.435
Dist. restrs. and SS energy: 5.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2525.612250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.612250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.830978 (E_RNA)
where:
Base-Base interactions energy: -1814.151
where: short stacking energy: -730.238
Base-Backbone interact. energy: -2.727
local terms energy: -718.952524
where:
bonds (distance) C4'-P energy: -116.319
bonds (distance) P-C4' energy: -114.460
flat angles C4'-P-C4' energy: -163.065
flat angles P-C4'-P energy: -93.988
tors. eta vs tors. theta energy: -231.121
Dist. restrs. and SS energy: 10.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2426.279616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.279616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.372470 (E_RNA)
where:
Base-Base interactions energy: -1743.092
where: short stacking energy: -672.482
Base-Backbone interact. energy: -0.647
local terms energy: -697.634084
where:
bonds (distance) C4'-P energy: -121.029
bonds (distance) P-C4' energy: -132.241
flat angles C4'-P-C4' energy: -135.610
flat angles P-C4'-P energy: -96.507
tors. eta vs tors. theta energy: -212.248
Dist. restrs. and SS energy: 15.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2232.575143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.575143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.334670 (E_RNA)
where:
Base-Base interactions energy: -1591.675
where: short stacking energy: -642.148
Base-Backbone interact. energy: -3.616
local terms energy: -647.044071
where:
bonds (distance) C4'-P energy: -116.282
bonds (distance) P-C4' energy: -108.692
flat angles C4'-P-C4' energy: -135.575
flat angles P-C4'-P energy: -94.535
tors. eta vs tors. theta energy: -191.960
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: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2225.279119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.279119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.520055 (E_RNA)
where:
Base-Base interactions energy: -1594.025
where: short stacking energy: -644.580
Base-Backbone interact. energy: -0.435
local terms energy: -639.060217
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -126.837
flat angles C4'-P-C4' energy: -125.863
flat angles P-C4'-P energy: -80.087
tors. eta vs tors. theta energy: -198.348
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: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -2021.744439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.744439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.839851 (E_RNA)
where:
Base-Base interactions energy: -1427.321
where: short stacking energy: -609.449
Base-Backbone interact. energy: -1.643
local terms energy: -616.876175
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -133.311
flat angles P-C4'-P energy: -90.505
tors. eta vs tors. theta energy: -189.472
Dist. restrs. and SS energy: 24.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -2034.677253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.677253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.856925 (E_RNA)
where:
Base-Base interactions energy: -1476.748
where: short stacking energy: -590.920
Base-Backbone interact. energy: -1.428
local terms energy: -567.681521
where:
bonds (distance) C4'-P energy: -95.307
bonds (distance) P-C4' energy: -74.350
flat angles C4'-P-C4' energy: -137.312
flat angles P-C4'-P energy: -78.272
tors. eta vs tors. theta energy: -182.440
Dist. restrs. and SS energy: 11.180 (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: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2767.685533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.685533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.656146 (E_RNA)
where:
Base-Base interactions energy: -1971.091
where: short stacking energy: -823.549
Base-Backbone interact. energy: -4.563
local terms energy: -803.002272
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -135.831
flat angles C4'-P-C4' energy: -164.453
flat angles P-C4'-P energy: -117.706
tors. eta vs tors. theta energy: -251.560
Dist. restrs. and SS energy: 10.971 (S_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: 409
Temperature: 0.950000
Total energy: -2738.874802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.874802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.387464 (E_RNA)
where:
Base-Base interactions energy: -1935.855
where: short stacking energy: -778.300
Base-Backbone interact. energy: -3.255
local terms energy: -805.276606
where:
bonds (distance) C4'-P energy: -139.556
bonds (distance) P-C4' energy: -139.881
flat angles C4'-P-C4' energy: -171.877
flat angles P-C4'-P energy: -112.124
tors. eta vs tors. theta energy: -241.840
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: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2615.674077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.674077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.267522 (E_RNA)
where:
Base-Base interactions energy: -1857.019
where: short stacking energy: -741.452
Base-Backbone interact. energy: -2.506
local terms energy: -761.742044
where:
bonds (distance) C4'-P energy: -122.395
bonds (distance) P-C4' energy: -132.882
flat angles C4'-P-C4' energy: -156.690
flat angles P-C4'-P energy: -107.172
tors. eta vs tors. theta energy: -242.602
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: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2570.815369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.815369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.379172 (E_RNA)
where:
Base-Base interactions energy: -1826.951
where: short stacking energy: -743.247
Base-Backbone interact. energy: -2.041
local terms energy: -748.386866
where:
bonds (distance) C4'-P energy: -115.694
bonds (distance) P-C4' energy: -123.752
flat angles C4'-P-C4' energy: -160.245
flat angles P-C4'-P energy: -115.574
tors. eta vs tors. theta energy: -233.122
Dist. restrs. and SS energy: 6.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2545.035942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.035942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.143111 (E_RNA)
where:
Base-Base interactions energy: -1804.964
where: short stacking energy: -738.356
Base-Backbone interact. energy: -0.147
local terms energy: -751.031181
where:
bonds (distance) C4'-P energy: -123.485
bonds (distance) P-C4' energy: -133.512
flat angles C4'-P-C4' energy: -151.175
flat angles P-C4'-P energy: -114.225
tors. eta vs tors. theta energy: -228.634
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: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2440.172837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.172837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.999531 (E_RNA)
where:
Base-Base interactions energy: -1777.581
where: short stacking energy: -722.733
Base-Backbone interact. energy: 4.030
local terms energy: -679.449119
where:
bonds (distance) C4'-P energy: -96.618
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -150.944
flat angles P-C4'-P energy: -103.637
tors. eta vs tors. theta energy: -222.850
Dist. restrs. and SS energy: 12.827 (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: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2339.008172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.008172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.612780 (E_RNA)
where:
Base-Base interactions energy: -1680.100
where: short stacking energy: -673.167
Base-Backbone interact. energy: -0.146
local terms energy: -663.366520
where:
bonds (distance) C4'-P energy: -107.376
bonds (distance) P-C4' energy: -123.984
flat angles C4'-P-C4' energy: -141.322
flat angles P-C4'-P energy: -86.800
tors. eta vs tors. theta energy: -203.884
Dist. restrs. and SS energy: 4.605 (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: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2217.188401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.136436 (E_RNA)
where:
Base-Base interactions energy: -1586.742
where: short stacking energy: -659.277
Base-Backbone interact. energy: -4.446
local terms energy: -638.948521
where:
bonds (distance) C4'-P energy: -93.998
bonds (distance) P-C4' energy: -121.206
flat angles C4'-P-C4' energy: -126.484
flat angles P-C4'-P energy: -94.063
tors. eta vs tors. theta energy: -203.197
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -2020.235211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.235211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.612273 (E_RNA)
where:
Base-Base interactions energy: -1399.232
where: short stacking energy: -585.694
Base-Backbone interact. energy: -3.477
local terms energy: -633.903296
where:
bonds (distance) C4'-P energy: -114.553
bonds (distance) P-C4' energy: -121.448
flat angles C4'-P-C4' energy: -137.597
flat angles P-C4'-P energy: -86.124
tors. eta vs tors. theta energy: -174.182
Dist. restrs. and SS energy: 16.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -2036.809491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.809491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.661889 (E_RNA)
where:
Base-Base interactions energy: -1423.499
where: short stacking energy: -585.711
Base-Backbone interact. energy: -1.386
local terms energy: -633.776431
where:
bonds (distance) C4'-P energy: -129.665
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -125.357
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -172.289
Dist. restrs. and SS energy: 21.852 (S_DIST_RNA)
chem. 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: -2774.537243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.537243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.553971 (E_RNA)
where:
Base-Base interactions energy: -1984.629
where: short stacking energy: -822.435
Base-Backbone interact. energy: -4.212
local terms energy: -795.712929
where:
bonds (distance) C4'-P energy: -136.450
bonds (distance) P-C4' energy: -157.272
flat angles C4'-P-C4' energy: -166.852
flat angles P-C4'-P energy: -95.654
tors. eta vs tors. theta energy: -239.486
Dist. restrs. and SS energy: 10.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2703.002543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.002543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.362639 (E_RNA)
where:
Base-Base interactions energy: -1902.834
where: short stacking energy: -760.474
Base-Backbone interact. energy: -1.483
local terms energy: -807.045529
where:
bonds (distance) C4'-P energy: -144.736
bonds (distance) P-C4' energy: -141.470
flat angles C4'-P-C4' energy: -167.835
flat angles P-C4'-P energy: -108.426
tors. eta vs tors. theta energy: -244.578
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: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2643.419096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.419096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.126197 (E_RNA)
where:
Base-Base interactions energy: -1846.925
where: short stacking energy: -764.260
Base-Backbone interact. energy: -3.743
local terms energy: -795.457603
where:
bonds (distance) C4'-P energy: -144.008
bonds (distance) P-C4' energy: -129.818
flat angles C4'-P-C4' energy: -158.020
flat angles P-C4'-P energy: -114.411
tors. eta vs tors. theta energy: -249.200
Dist. restrs. and SS energy: 2.707 (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: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2620.124137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.124137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.061332 (E_RNA)
where:
Base-Base interactions energy: -1845.693
where: short stacking energy: -737.790
Base-Backbone interact. energy: 1.206
local terms energy: -782.574891
where:
bonds (distance) C4'-P energy: -138.666
bonds (distance) P-C4' energy: -125.388
flat angles C4'-P-C4' energy: -163.782
flat angles P-C4'-P energy: -121.898
tors. eta vs tors. theta energy: -232.841
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: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2565.326336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.326336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.251710 (E_RNA)
where:
Base-Base interactions energy: -1843.180
where: short stacking energy: -737.308
Base-Backbone interact. energy: 0.652
local terms energy: -731.723315
where:
bonds (distance) C4'-P energy: -114.982
bonds (distance) P-C4' energy: -132.338
flat angles C4'-P-C4' energy: -148.085
flat angles P-C4'-P energy: -109.066
tors. eta vs tors. theta energy: -227.252
Dist. restrs. and SS energy: 8.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2428.031368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.031368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.316710 (E_RNA)
where:
Base-Base interactions energy: -1754.112
where: short stacking energy: -717.553
Base-Backbone interact. energy: -2.195
local terms energy: -681.010054
where:
bonds (distance) C4'-P energy: -114.725
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -152.497
flat angles P-C4'-P energy: -98.734
tors. eta vs tors. theta energy: -208.288
Dist. restrs. and SS energy: 9.285 (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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2298.855517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.855517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.745006 (E_RNA)
where:
Base-Base interactions energy: -1634.902
where: short stacking energy: -655.780
Base-Backbone interact. energy: -2.662
local terms energy: -672.181061
where:
bonds (distance) C4'-P energy: -130.313
bonds (distance) P-C4' energy: -126.023
flat angles C4'-P-C4' energy: -134.792
flat angles P-C4'-P energy: -83.031
tors. eta vs tors. theta energy: -198.022
Dist. restrs. and SS energy: 10.889 (S_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: 410
Temperature: 1.250000
Total energy: -2216.311944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.311944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.413144 (E_RNA)
where:
Base-Base interactions energy: -1549.427
where: short stacking energy: -616.169
Base-Backbone interact. energy: -2.602
local terms energy: -673.384124
where:
bonds (distance) C4'-P energy: -116.749
bonds (distance) P-C4' energy: -133.107
flat angles C4'-P-C4' energy: -134.436
flat angles P-C4'-P energy: -97.338
tors. eta vs tors. theta energy: -191.755
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -2101.627492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.627492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.595063 (E_RNA)
where:
Base-Base interactions energy: -1527.738
where: short stacking energy: -596.767
Base-Backbone interact. energy: -3.563
local terms energy: -585.293403
where:
bonds (distance) C4'-P energy: -77.123
bonds (distance) P-C4' energy: -110.532
flat angles C4'-P-C4' energy: -126.085
flat angles P-C4'-P energy: -90.740
tors. eta vs tors. theta energy: -180.815
Dist. restrs. and SS energy: 14.968 (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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1974.147888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.147888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.439387 (E_RNA)
where:
Base-Base interactions energy: -1426.820
where: short stacking energy: -573.088
Base-Backbone interact. energy: -0.216
local terms energy: -570.403568
where:
bonds (distance) C4'-P energy: -99.298
bonds (distance) P-C4' energy: -116.388
flat angles C4'-P-C4' energy: -122.127
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -175.196
Dist. restrs. and SS energy: 23.291 (S_DIST_RNA)
chem. 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: -2758.417914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.417914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.470417 (E_RNA)
where:
Base-Base interactions energy: -1960.099
where: short stacking energy: -809.131
Base-Backbone interact. energy: 3.210
local terms energy: -812.581378
where:
bonds (distance) C4'-P energy: -135.520
bonds (distance) P-C4' energy: -151.630
flat angles C4'-P-C4' energy: -156.491
flat angles P-C4'-P energy: -112.949
tors. eta vs tors. theta energy: -255.991
Dist. restrs. and SS energy: 11.053 (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: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2707.656935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.656935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.506744 (E_RNA)
where:
Base-Base interactions energy: -1937.109
where: short stacking energy: -783.136
Base-Backbone interact. energy: -2.258
local terms energy: -777.140039
where:
bonds (distance) C4'-P energy: -137.406
bonds (distance) P-C4' energy: -129.796
flat angles C4'-P-C4' energy: -159.671
flat angles P-C4'-P energy: -109.996
tors. eta vs tors. theta energy: -240.270
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2650.171217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.171217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.552000 (E_RNA)
where:
Base-Base interactions energy: -1863.477
where: short stacking energy: -781.369
Base-Backbone interact. energy: -1.201
local terms energy: -790.874022
where:
bonds (distance) C4'-P energy: -135.999
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -164.298
flat angles P-C4'-P energy: -114.851
tors. eta vs tors. theta energy: -247.603
Dist. restrs. and SS energy: 5.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2590.871452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.871452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.899087 (E_RNA)
where:
Base-Base interactions energy: -1845.049
where: short stacking energy: -750.541
Base-Backbone interact. energy: -2.709
local terms energy: -749.141570
where:
bonds (distance) C4'-P energy: -117.381
bonds (distance) P-C4' energy: -128.532
flat angles C4'-P-C4' energy: -152.159
flat angles P-C4'-P energy: -116.162
tors. eta vs tors. theta energy: -234.906
Dist. restrs. and SS energy: 6.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2493.654090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.654090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.648590 (E_RNA)
where:
Base-Base interactions energy: -1774.570
where: short stacking energy: -712.520
Base-Backbone interact. energy: -2.214
local terms energy: -724.864698
where:
bonds (distance) C4'-P energy: -132.202
bonds (distance) P-C4' energy: -126.957
flat angles C4'-P-C4' energy: -146.219
flat angles P-C4'-P energy: -110.420
tors. eta vs tors. theta energy: -209.067
Dist. restrs. and SS energy: 7.994 (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: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2504.198313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.198313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.823468 (E_RNA)
where:
Base-Base interactions energy: -1817.075
where: short stacking energy: -730.654
Base-Backbone interact. energy: 0.506
local terms energy: -694.254958
where:
bonds (distance) C4'-P energy: -114.399
bonds (distance) P-C4' energy: -114.404
flat angles C4'-P-C4' energy: -142.408
flat angles P-C4'-P energy: -94.441
tors. eta vs tors. theta energy: -228.603
Dist. restrs. and SS energy: 6.625 (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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2226.616041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.616041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.190414 (E_RNA)
where:
Base-Base interactions energy: -1585.967
where: short stacking energy: -659.566
Base-Backbone interact. energy: -2.694
local terms energy: -647.528768
where:
bonds (distance) C4'-P energy: -110.776
bonds (distance) P-C4' energy: -136.334
flat angles C4'-P-C4' energy: -143.548
flat angles P-C4'-P energy: -64.847
tors. eta vs tors. theta energy: -192.024
Dist. restrs. and SS energy: 9.574 (S_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: 411
Temperature: 1.250000
Total energy: -2241.872806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.872806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.576466 (E_RNA)
where:
Base-Base interactions energy: -1602.935
where: short stacking energy: -650.827
Base-Backbone interact. energy: -3.437
local terms energy: -654.204410
where:
bonds (distance) C4'-P energy: -126.910
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -193.434
Dist. restrs. and SS energy: 18.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -2117.959287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.959287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.836927 (E_RNA)
where:
Base-Base interactions energy: -1519.672
where: short stacking energy: -615.965
Base-Backbone interact. energy: 2.506
local terms energy: -612.670260
where:
bonds (distance) C4'-P energy: -109.211
bonds (distance) P-C4' energy: -118.865
flat angles C4'-P-C4' energy: -124.060
flat angles P-C4'-P energy: -81.172
tors. eta vs tors. theta energy: -179.363
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: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1950.941472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.941472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.023232 (E_RNA)
where:
Base-Base interactions energy: -1382.298
where: short stacking energy: -540.709
Base-Backbone interact. energy: -2.063
local terms energy: -587.662802
where:
bonds (distance) C4'-P energy: -128.095
bonds (distance) P-C4' energy: -102.117
flat angles C4'-P-C4' energy: -118.376
flat angles P-C4'-P energy: -79.032
tors. eta vs tors. theta energy: -160.043
Dist. restrs. and SS energy: 21.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2772.419062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.419062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.034415 (E_RNA)
where:
Base-Base interactions energy: -1954.549
where: short stacking energy: -824.016
Base-Backbone interact. energy: 0.794
local terms energy: -827.279963
where:
bonds (distance) C4'-P energy: -136.260
bonds (distance) P-C4' energy: -143.132
flat angles C4'-P-C4' energy: -163.042
flat angles P-C4'-P energy: -122.001
tors. eta vs tors. theta energy: -262.844
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: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2708.416948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.416948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.909959 (E_RNA)
where:
Base-Base interactions energy: -1943.633
where: short stacking energy: -781.685
Base-Backbone interact. energy: -2.553
local terms energy: -770.724009
where:
bonds (distance) C4'-P energy: -123.543
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -165.935
flat angles P-C4'-P energy: -115.223
tors. eta vs tors. theta energy: -239.846
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2654.128661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.128661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.395700 (E_RNA)
where:
Base-Base interactions energy: -1874.804
where: short stacking energy: -796.407
Base-Backbone interact. energy: -1.473
local terms energy: -781.118833
where:
bonds (distance) C4'-P energy: -126.764
bonds (distance) P-C4' energy: -141.639
flat angles C4'-P-C4' energy: -154.084
flat angles P-C4'-P energy: -114.351
tors. eta vs tors. theta energy: -244.280
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2574.434327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.434327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.472157 (E_RNA)
where:
Base-Base interactions energy: -1841.813
where: short stacking energy: -756.310
Base-Backbone interact. energy: -1.292
local terms energy: -740.367770
where:
bonds (distance) C4'-P energy: -132.533
bonds (distance) P-C4' energy: -110.867
flat angles C4'-P-C4' energy: -160.153
flat angles P-C4'-P energy: -113.250
tors. eta vs tors. theta energy: -223.565
Dist. restrs. and SS energy: 9.038 (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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2485.086896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.086896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.537129 (E_RNA)
where:
Base-Base interactions energy: -1779.129
where: short stacking energy: -716.366
Base-Backbone interact. energy: -0.145
local terms energy: -712.262534
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -119.663
flat angles C4'-P-C4' energy: -146.928
flat angles P-C4'-P energy: -109.602
tors. eta vs tors. theta energy: -225.909
Dist. restrs. and SS energy: 6.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2388.227401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.227401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.216224 (E_RNA)
where:
Base-Base interactions energy: -1705.186
where: short stacking energy: -683.611
Base-Backbone interact. energy: -1.997
local terms energy: -695.033051
where:
bonds (distance) C4'-P energy: -110.752
bonds (distance) P-C4' energy: -128.824
flat angles C4'-P-C4' energy: -139.414
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -220.177
Dist. restrs. and SS energy: 13.989 (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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2311.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.538126 (E_RNA)
where:
Base-Base interactions energy: -1640.140
where: short stacking energy: -669.023
Base-Backbone interact. energy: -0.765
local terms energy: -675.633264
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -101.528
flat angles C4'-P-C4' energy: -148.721
flat angles P-C4'-P energy: -102.702
tors. eta vs tors. theta energy: -206.419
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: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2200.036348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.036348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.468393 (E_RNA)
where:
Base-Base interactions energy: -1566.528
where: short stacking energy: -637.687
Base-Backbone interact. energy: 1.622
local terms energy: -647.562635
where:
bonds (distance) C4'-P energy: -111.417
bonds (distance) P-C4' energy: -125.759
flat angles C4'-P-C4' energy: -142.390
flat angles P-C4'-P energy: -81.125
tors. eta vs tors. theta energy: -186.873
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: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -2018.182991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.182991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.259862 (E_RNA)
where:
Base-Base interactions energy: -1410.612
where: short stacking energy: -585.355
Base-Backbone interact. energy: -2.258
local terms energy: -622.389697
where:
bonds (distance) C4'-P energy: -109.338
bonds (distance) P-C4' energy: -108.149
flat angles C4'-P-C4' energy: -141.866
flat angles P-C4'-P energy: -80.058
tors. eta vs tors. theta energy: -182.979
Dist. restrs. and SS energy: 17.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -2027.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.430912 (E_RNA)
where:
Base-Base interactions energy: -1437.746
where: short stacking energy: -577.736
Base-Backbone interact. energy: 2.267
local terms energy: -603.951630
where:
bonds (distance) C4'-P energy: -123.004
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -122.300
flat angles P-C4'-P energy: -83.893
tors. eta vs tors. theta energy: -176.614
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: 1, replica: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2788.964138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.964138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.586838 (E_RNA)
where:
Base-Base interactions energy: -1958.365
where: short stacking energy: -818.977
Base-Backbone interact. energy: 4.698
local terms energy: -843.920240
where:
bonds (distance) C4'-P energy: -136.516
bonds (distance) P-C4' energy: -147.943
flat angles C4'-P-C4' energy: -175.492
flat angles P-C4'-P energy: -121.088
tors. eta vs tors. theta energy: -262.881
Dist. restrs. and SS energy: 8.623 (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: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2720.595295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.595295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.741432 (E_RNA)
where:
Base-Base interactions energy: -1925.698
where: short stacking energy: -793.768
Base-Backbone interact. energy: -2.321
local terms energy: -795.722061
where:
bonds (distance) C4'-P energy: -128.640
bonds (distance) P-C4' energy: -125.866
flat angles C4'-P-C4' energy: -173.845
flat angles P-C4'-P energy: -119.161
tors. eta vs tors. theta energy: -248.210
Dist. restrs. and SS energy: 3.146 (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: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2668.834035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.834035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.133431 (E_RNA)
where:
Base-Base interactions energy: -1900.597
where: short stacking energy: -770.713
Base-Backbone interact. energy: -0.873
local terms energy: -773.663721
where:
bonds (distance) C4'-P energy: -117.757
bonds (distance) P-C4' energy: -134.397
flat angles C4'-P-C4' energy: -158.851
flat angles P-C4'-P energy: -123.193
tors. eta vs tors. theta energy: -239.467
Dist. restrs. and SS energy: 6.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2568.282127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.282127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.192487 (E_RNA)
where:
Base-Base interactions energy: -1836.186
where: short stacking energy: -729.775
Base-Backbone interact. energy: 1.929
local terms energy: -739.935726
where:
bonds (distance) C4'-P energy: -131.269
bonds (distance) P-C4' energy: -148.421
flat angles C4'-P-C4' energy: -143.585
flat angles P-C4'-P energy: -89.391
tors. eta vs tors. theta energy: -227.271
Dist. restrs. and SS energy: 5.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2432.258348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.258348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.265731 (E_RNA)
where:
Base-Base interactions energy: -1763.362
where: short stacking energy: -730.864
Base-Backbone interact. energy: 0.424
local terms energy: -680.327376
where:
bonds (distance) C4'-P energy: -99.827
bonds (distance) P-C4' energy: -122.495
flat angles C4'-P-C4' energy: -147.184
flat angles P-C4'-P energy: -96.311
tors. eta vs tors. theta energy: -214.511
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: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2455.236810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.236810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.958782 (E_RNA)
where:
Base-Base interactions energy: -1777.366
where: short stacking energy: -713.299
Base-Backbone interact. energy: -0.244
local terms energy: -684.348310
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -122.262
flat angles C4'-P-C4' energy: -129.280
flat angles P-C4'-P energy: -90.480
tors. eta vs tors. theta energy: -217.770
Dist. restrs. and SS energy: 6.722 (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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2321.929940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.929940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.233581 (E_RNA)
where:
Base-Base interactions energy: -1658.866
where: short stacking energy: -683.459
Base-Backbone interact. energy: -2.461
local terms energy: -670.906360
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -109.062
flat angles C4'-P-C4' energy: -145.943
flat angles P-C4'-P energy: -100.207
tors. eta vs tors. theta energy: -205.276
Dist. restrs. and SS energy: 10.304 (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: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2209.909777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.909777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.047636 (E_RNA)
where:
Base-Base interactions energy: -1569.190
where: short stacking energy: -646.862
Base-Backbone interact. energy: 0.414
local terms energy: -649.271824
where:
bonds (distance) C4'-P energy: -106.027
bonds (distance) P-C4' energy: -126.071
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -202.229
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -2043.408222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.408222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.488201 (E_RNA)
where:
Base-Base interactions energy: -1448.668
where: short stacking energy: -565.200
Base-Backbone interact. energy: -0.670
local terms energy: -614.150038
where:
bonds (distance) C4'-P energy: -111.473
bonds (distance) P-C4' energy: -111.408
flat angles C4'-P-C4' energy: -130.692
flat angles P-C4'-P energy: -87.430
tors. eta vs tors. theta energy: -173.148
Dist. restrs. and SS energy: 20.080 (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: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -2020.126153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.126153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.785108 (E_RNA)
where:
Base-Base interactions energy: -1434.286
where: short stacking energy: -574.189
Base-Backbone interact. energy: -0.592
local terms energy: -598.907759
where:
bonds (distance) C4'-P energy: -109.730
bonds (distance) P-C4' energy: -85.216
flat angles C4'-P-C4' energy: -131.510
flat angles P-C4'-P energy: -83.404
tors. eta vs tors. theta energy: -189.049
Dist. restrs. and SS energy: 13.659 (S_DIST_RNA)
chem. 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: -2749.295874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.295874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.249965 (E_RNA)
where:
Base-Base interactions energy: -1959.969
where: short stacking energy: -816.624
Base-Backbone interact. energy: -1.957
local terms energy: -792.323672
where:
bonds (distance) C4'-P energy: -127.475
bonds (distance) P-C4' energy: -147.860
flat angles C4'-P-C4' energy: -159.975
flat angles P-C4'-P energy: -112.223
tors. eta vs tors. theta energy: -244.791
Dist. restrs. and SS energy: 4.954 (S_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: 414
Temperature: 0.950000
Total energy: -2731.785897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.785897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.146408 (E_RNA)
where:
Base-Base interactions energy: -1929.219
where: short stacking energy: -791.577
Base-Backbone interact. energy: -0.391
local terms energy: -807.536834
where:
bonds (distance) C4'-P energy: -128.638
bonds (distance) P-C4' energy: -151.548
flat angles C4'-P-C4' energy: -167.834
flat angles P-C4'-P energy: -112.179
tors. eta vs tors. theta energy: -247.338
Dist. restrs. and SS energy: 5.361 (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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2642.780216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.780216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.022107 (E_RNA)
where:
Base-Base interactions energy: -1870.199
where: short stacking energy: -773.707
Base-Backbone interact. energy: -0.259
local terms energy: -785.564580
where:
bonds (distance) C4'-P energy: -133.039
bonds (distance) P-C4' energy: -133.378
flat angles C4'-P-C4' energy: -163.124
flat angles P-C4'-P energy: -122.300
tors. eta vs tors. theta energy: -233.724
Dist. restrs. and SS energy: 13.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2587.380416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.380416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.817523 (E_RNA)
where:
Base-Base interactions energy: -1826.709
where: short stacking energy: -733.847
Base-Backbone interact. energy: -0.812
local terms energy: -767.297168
where:
bonds (distance) C4'-P energy: -138.588
bonds (distance) P-C4' energy: -136.891
flat angles C4'-P-C4' energy: -147.497
flat angles P-C4'-P energy: -115.138
tors. eta vs tors. theta energy: -229.184
Dist. restrs. and SS energy: 7.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2488.709201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.709201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.367455 (E_RNA)
where:
Base-Base interactions energy: -1781.840
where: short stacking energy: -710.043
Base-Backbone interact. energy: -2.900
local terms energy: -714.627435
where:
bonds (distance) C4'-P energy: -124.738
bonds (distance) P-C4' energy: -126.545
flat angles C4'-P-C4' energy: -147.039
flat angles P-C4'-P energy: -96.462
tors. eta vs tors. theta energy: -219.843
Dist. restrs. and SS energy: 10.658 (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: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2445.153326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.153326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.338666 (E_RNA)
where:
Base-Base interactions energy: -1729.142
where: short stacking energy: -717.840
Base-Backbone interact. energy: -2.041
local terms energy: -722.155855
where:
bonds (distance) C4'-P energy: -117.283
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -141.337
flat angles P-C4'-P energy: -104.446
tors. eta vs tors. theta energy: -230.540
Dist. restrs. and SS energy: 8.185 (S_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: 414
Temperature: 1.200000
Total energy: -2319.128856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.128856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.011267 (E_RNA)
where:
Base-Base interactions energy: -1637.339
where: short stacking energy: -647.929
Base-Backbone interact. energy: -0.855
local terms energy: -686.817004
where:
bonds (distance) C4'-P energy: -126.118
bonds (distance) P-C4' energy: -106.525
flat angles C4'-P-C4' energy: -144.532
flat angles P-C4'-P energy: -102.971
tors. eta vs tors. theta energy: -206.672
Dist. restrs. and SS energy: 5.882 (S_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: -2234.198283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.198283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.733094 (E_RNA)
where:
Base-Base interactions energy: -1571.539
where: short stacking energy: -631.253
Base-Backbone interact. energy: -2.454
local terms energy: -673.740558
where:
bonds (distance) C4'-P energy: -102.789
bonds (distance) P-C4' energy: -126.517
flat angles C4'-P-C4' energy: -152.061
flat angles P-C4'-P energy: -104.443
tors. eta vs tors. theta energy: -187.930
Dist. restrs. and SS energy: 13.535 (S_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: 414
Temperature: 1.300000
Total energy: -2148.649147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.649147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.592510 (E_RNA)
where:
Base-Base interactions energy: -1523.774
where: short stacking energy: -624.489
Base-Backbone interact. energy: -0.761
local terms energy: -633.057732
where:
bonds (distance) C4'-P energy: -111.808
bonds (distance) P-C4' energy: -110.426
flat angles C4'-P-C4' energy: -139.409
flat angles P-C4'-P energy: -84.459
tors. eta vs tors. theta energy: -186.957
Dist. restrs. and SS energy: 8.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1995.429150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.429150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.983952 (E_RNA)
where:
Base-Base interactions energy: -1422.173
where: short stacking energy: -559.227
Base-Backbone interact. energy: -1.561
local terms energy: -582.250687
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -125.109
flat angles C4'-P-C4' energy: -110.706
flat angles P-C4'-P energy: -78.192
tors. eta vs tors. theta energy: -182.736
Dist. restrs. and SS energy: 10.555 (S_DIST_RNA)
chem. 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: -2754.617067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.617067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.916690 (E_RNA)
where:
Base-Base interactions energy: -1945.640
where: short stacking energy: -799.483
Base-Backbone interact. energy: -2.613
local terms energy: -810.663695
where:
bonds (distance) C4'-P energy: -149.193
bonds (distance) P-C4' energy: -129.428
flat angles C4'-P-C4' energy: -172.223
flat angles P-C4'-P energy: -115.102
tors. eta vs tors. theta energy: -244.717
Dist. restrs. and SS energy: 4.300 (S_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: 415
Temperature: 0.950000
Total energy: -2719.800212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.800212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.415062 (E_RNA)
where:
Base-Base interactions energy: -1908.700
where: short stacking energy: -790.494
Base-Backbone interact. energy: -0.814
local terms energy: -815.900377
where:
bonds (distance) C4'-P energy: -133.876
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -174.338
flat angles P-C4'-P energy: -117.960
tors. eta vs tors. theta energy: -257.499
Dist. restrs. and SS energy: 5.615 (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: 415
Temperature: 1.000000
Total energy: -2678.917100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.917100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.792072 (E_RNA)
where:
Base-Base interactions energy: -1910.966
where: short stacking energy: -781.436
Base-Backbone interact. energy: -2.689
local terms energy: -774.137062
where:
bonds (distance) C4'-P energy: -138.245
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -158.702
flat angles P-C4'-P energy: -106.080
tors. eta vs tors. theta energy: -237.281
Dist. restrs. and SS energy: 8.875 (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: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2545.081514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.081514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.461334 (E_RNA)
where:
Base-Base interactions energy: -1821.367
where: short stacking energy: -746.033
Base-Backbone interact. energy: -0.635
local terms energy: -731.459114
where:
bonds (distance) C4'-P energy: -129.716
bonds (distance) P-C4' energy: -123.377
flat angles C4'-P-C4' energy: -161.558
flat angles P-C4'-P energy: -94.026
tors. eta vs tors. theta energy: -222.782
Dist. restrs. and SS energy: 8.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2467.414203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.414203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.237364 (E_RNA)
where:
Base-Base interactions energy: -1757.120
where: short stacking energy: -691.459
Base-Backbone interact. energy: -3.446
local terms energy: -712.670836
where:
bonds (distance) C4'-P energy: -115.373
bonds (distance) P-C4' energy: -133.524
flat angles C4'-P-C4' energy: -148.769
flat angles P-C4'-P energy: -96.197
tors. eta vs tors. theta energy: -218.808
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: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2449.338016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.338016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.582273 (E_RNA)
where:
Base-Base interactions energy: -1775.675
where: short stacking energy: -729.137
Base-Backbone interact. energy: -1.456
local terms energy: -683.451666
where:
bonds (distance) C4'-P energy: -102.134
bonds (distance) P-C4' energy: -110.635
flat angles C4'-P-C4' energy: -147.680
flat angles P-C4'-P energy: -94.768
tors. eta vs tors. theta energy: -228.235
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: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2331.750697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.750697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.939149 (E_RNA)
where:
Base-Base interactions energy: -1658.117
where: short stacking energy: -671.777
Base-Backbone interact. energy: -3.484
local terms energy: -676.338512
where:
bonds (distance) C4'-P energy: -111.771
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -155.615
flat angles P-C4'-P energy: -97.538
tors. eta vs tors. theta energy: -210.116
Dist. restrs. and SS energy: 6.188 (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: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2248.020901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.020901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.743188 (E_RNA)
where:
Base-Base interactions energy: -1615.839
where: short stacking energy: -657.010
Base-Backbone interact. energy: -1.802
local terms energy: -641.101876
where:
bonds (distance) C4'-P energy: -121.879
bonds (distance) P-C4' energy: -115.238
flat angles C4'-P-C4' energy: -137.597
flat angles P-C4'-P energy: -75.805
tors. eta vs tors. theta energy: -190.583
Dist. restrs. and SS energy: 10.722 (S_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: 415
Temperature: 1.300000
Total energy: -2110.287706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.287706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.759599 (E_RNA)
where:
Base-Base interactions energy: -1518.227
where: short stacking energy: -609.147
Base-Backbone interact. energy: 1.245
local terms energy: -608.777376
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -127.951
flat angles C4'-P-C4' energy: -136.375
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -182.157
Dist. restrs. and SS energy: 15.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -2011.478337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.478337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.828591 (E_RNA)
where:
Base-Base interactions energy: -1451.058
where: short stacking energy: -577.210
Base-Backbone interact. energy: -0.643
local terms energy: -588.127036
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -104.756
flat angles C4'-P-C4' energy: -131.235
flat angles P-C4'-P energy: -93.435
tors. eta vs tors. theta energy: -176.403
Dist. restrs. and SS energy: 28.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2765.809068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.809068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.843248 (E_RNA)
where:
Base-Base interactions energy: -1935.454
where: short stacking energy: -787.574
Base-Backbone interact. energy: -2.963
local terms energy: -831.426242
where:
bonds (distance) C4'-P energy: -140.120
bonds (distance) P-C4' energy: -149.172
flat angles C4'-P-C4' energy: -166.567
flat angles P-C4'-P energy: -119.574
tors. eta vs tors. theta energy: -255.993
Dist. restrs. and SS energy: 4.034 (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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2708.403405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.403405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.178744 (E_RNA)
where:
Base-Base interactions energy: -1918.645
where: short stacking energy: -788.026
Base-Backbone interact. energy: 8.797
local terms energy: -803.330904
where:
bonds (distance) C4'-P energy: -126.268
bonds (distance) P-C4' energy: -147.573
flat angles C4'-P-C4' energy: -161.481
flat angles P-C4'-P energy: -120.516
tors. eta vs tors. theta energy: -247.493
Dist. restrs. and SS energy: 4.775 (S_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: 416
Temperature: 1.000000
Total energy: -2650.752911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.752911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.765520 (E_RNA)
where:
Base-Base interactions energy: -1885.133
where: short stacking energy: -770.441
Base-Backbone interact. energy: -2.983
local terms energy: -767.649585
where:
bonds (distance) C4'-P energy: -109.402
bonds (distance) P-C4' energy: -138.191
flat angles C4'-P-C4' energy: -158.124
flat angles P-C4'-P energy: -121.887
tors. eta vs tors. theta energy: -240.046
Dist. restrs. and SS energy: 5.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2539.755583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.755583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.567433 (E_RNA)
where:
Base-Base interactions energy: -1822.180
where: short stacking energy: -741.828
Base-Backbone interact. energy: -0.230
local terms energy: -721.157349
where:
bonds (distance) C4'-P energy: -134.994
bonds (distance) P-C4' energy: -117.383
flat angles C4'-P-C4' energy: -152.633
flat angles P-C4'-P energy: -94.581
tors. eta vs tors. theta energy: -221.566
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2484.428455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.428455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.941150 (E_RNA)
where:
Base-Base interactions energy: -1768.790
where: short stacking energy: -719.609
Base-Backbone interact. energy: -2.104
local terms energy: -720.046440
where:
bonds (distance) C4'-P energy: -122.289
bonds (distance) P-C4' energy: -120.771
flat angles C4'-P-C4' energy: -156.300
flat angles P-C4'-P energy: -94.878
tors. eta vs tors. theta energy: -225.808
Dist. restrs. and SS energy: 6.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2448.854163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.854163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.663097 (E_RNA)
where:
Base-Base interactions energy: -1759.114
where: short stacking energy: -706.064
Base-Backbone interact. energy: -1.851
local terms energy: -698.697455
where:
bonds (distance) C4'-P energy: -127.795
bonds (distance) P-C4' energy: -126.447
flat angles C4'-P-C4' energy: -140.481
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -222.014
Dist. restrs. and SS energy: 10.809 (S_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: 416
Temperature: 1.200000
Total energy: -2315.799516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.799516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.539923 (E_RNA)
where:
Base-Base interactions energy: -1646.389
where: short stacking energy: -671.667
Base-Backbone interact. energy: -1.741
local terms energy: -674.410157
where:
bonds (distance) C4'-P energy: -131.809
bonds (distance) P-C4' energy: -125.857
flat angles C4'-P-C4' energy: -141.867
flat angles P-C4'-P energy: -81.630
tors. eta vs tors. theta energy: -193.248
Dist. restrs. and SS energy: 6.740 (S_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: -2242.972906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.972906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.392265 (E_RNA)
where:
Base-Base interactions energy: -1581.284
where: short stacking energy: -629.815
Base-Backbone interact. energy: -3.314
local terms energy: -666.794332
where:
bonds (distance) C4'-P energy: -135.967
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -147.135
flat angles P-C4'-P energy: -91.431
tors. eta vs tors. theta energy: -194.029
Dist. restrs. and SS energy: 8.419 (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: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -2085.189188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.189188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.182444 (E_RNA)
where:
Base-Base interactions energy: -1475.029
where: short stacking energy: -588.035
Base-Backbone interact. energy: 2.776
local terms energy: -635.929488
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -123.377
flat angles C4'-P-C4' energy: -131.518
flat angles P-C4'-P energy: -71.978
tors. eta vs tors. theta energy: -186.585
Dist. restrs. and SS energy: 22.993 (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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -2038.704186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.704186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.741585 (E_RNA)
where:
Base-Base interactions energy: -1450.812
where: short stacking energy: -595.831
Base-Backbone interact. energy: -0.242
local terms energy: -608.687619
where:
bonds (distance) C4'-P energy: -89.344
bonds (distance) P-C4' energy: -104.970
flat angles C4'-P-C4' energy: -133.318
flat angles P-C4'-P energy: -90.807
tors. eta vs tors. theta energy: -190.249
Dist. restrs. and SS energy: 21.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2765.316523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.316523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.011690 (E_RNA)
where:
Base-Base interactions energy: -1947.844
where: short stacking energy: -816.000
Base-Backbone interact. energy: -2.499
local terms energy: -817.669236
where:
bonds (distance) C4'-P energy: -142.257
bonds (distance) P-C4' energy: -142.857
flat angles C4'-P-C4' energy: -161.421
flat angles P-C4'-P energy: -116.237
tors. eta vs tors. theta energy: -254.898
Dist. restrs. and SS energy: 2.695 (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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2711.112781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.112781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.314431 (E_RNA)
where:
Base-Base interactions energy: -1904.217
where: short stacking energy: -798.656
Base-Backbone interact. energy: 0.084
local terms energy: -814.181250
where:
bonds (distance) C4'-P energy: -141.035
bonds (distance) P-C4' energy: -142.207
flat angles C4'-P-C4' energy: -161.605
flat angles P-C4'-P energy: -115.494
tors. eta vs tors. theta energy: -253.842
Dist. restrs. and SS energy: 7.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2661.417034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.417034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.582199 (E_RNA)
where:
Base-Base interactions energy: -1873.828
where: short stacking energy: -780.347
Base-Backbone interact. energy: -1.898
local terms energy: -790.856732
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -150.882
flat angles P-C4'-P energy: -126.352
tors. eta vs tors. theta energy: -238.053
Dist. restrs. and SS energy: 5.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2569.467393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.467393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.483651 (E_RNA)
where:
Base-Base interactions energy: -1825.885
where: short stacking energy: -735.012
Base-Backbone interact. energy: -1.951
local terms energy: -748.648477
where:
bonds (distance) C4'-P energy: -133.000
bonds (distance) P-C4' energy: -129.380
flat angles C4'-P-C4' energy: -147.665
flat angles P-C4'-P energy: -105.065
tors. eta vs tors. theta energy: -233.538
Dist. restrs. and SS energy: 7.016 (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: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2502.351872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.351872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.446235 (E_RNA)
where:
Base-Base interactions energy: -1784.008
where: short stacking energy: -717.257
Base-Backbone interact. energy: -3.356
local terms energy: -723.082425
where:
bonds (distance) C4'-P energy: -130.776
bonds (distance) P-C4' energy: -134.027
flat angles C4'-P-C4' energy: -139.844
flat angles P-C4'-P energy: -99.133
tors. eta vs tors. theta energy: -219.303
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: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2470.016363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.016363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.620996 (E_RNA)
where:
Base-Base interactions energy: -1751.202
where: short stacking energy: -703.970
Base-Backbone interact. energy: -0.782
local terms energy: -726.636906
where:
bonds (distance) C4'-P energy: -120.185
bonds (distance) P-C4' energy: -124.565
flat angles C4'-P-C4' energy: -149.308
flat angles P-C4'-P energy: -107.711
tors. eta vs tors. theta energy: -224.867
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2298.931854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.931854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.751801 (E_RNA)
where:
Base-Base interactions energy: -1636.458
where: short stacking energy: -672.805
Base-Backbone interact. energy: -2.485
local terms energy: -671.808607
where:
bonds (distance) C4'-P energy: -116.106
bonds (distance) P-C4' energy: -136.124
flat angles C4'-P-C4' energy: -143.925
flat angles P-C4'-P energy: -75.637
tors. eta vs tors. theta energy: -200.017
Dist. restrs. and SS energy: 11.820 (S_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: 417
Temperature: 1.250000
Total energy: -2223.468447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.468447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.136721 (E_RNA)
where:
Base-Base interactions energy: -1586.369
where: short stacking energy: -635.227
Base-Backbone interact. energy: 1.530
local terms energy: -647.297968
where:
bonds (distance) C4'-P energy: -116.621
bonds (distance) P-C4' energy: -122.350
flat angles C4'-P-C4' energy: -130.530
flat angles P-C4'-P energy: -84.831
tors. eta vs tors. theta energy: -192.967
Dist. restrs. and SS energy: 8.668 (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: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -2116.072743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.072743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.917110 (E_RNA)
where:
Base-Base interactions energy: -1514.733
where: short stacking energy: -575.652
Base-Backbone interact. energy: 1.608
local terms energy: -617.791965
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -103.774
flat angles C4'-P-C4' energy: -133.087
flat angles P-C4'-P energy: -87.094
tors. eta vs tors. theta energy: -188.077
Dist. restrs. and SS energy: 14.844 (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: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -2025.339146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.339146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.126624 (E_RNA)
where:
Base-Base interactions energy: -1414.939
where: short stacking energy: -559.483
Base-Backbone interact. energy: -3.202
local terms energy: -630.985842
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -121.490
flat angles C4'-P-C4' energy: -140.470
flat angles P-C4'-P energy: -81.551
tors. eta vs tors. theta energy: -172.915
Dist. restrs. and SS energy: 23.787 (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: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2767.897050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.897050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.807477 (E_RNA)
where:
Base-Base interactions energy: -1943.057
where: short stacking energy: -814.570
Base-Backbone interact. energy: -1.465
local terms energy: -827.284881
where:
bonds (distance) C4'-P energy: -147.533
bonds (distance) P-C4' energy: -143.757
flat angles C4'-P-C4' energy: -168.561
flat angles P-C4'-P energy: -112.646
tors. eta vs tors. theta energy: -254.788
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: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2689.615851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.615851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.582088 (E_RNA)
where:
Base-Base interactions energy: -1914.990
where: short stacking energy: -772.198
Base-Backbone interact. energy: -2.357
local terms energy: -778.235251
where:
bonds (distance) C4'-P energy: -124.697
bonds (distance) P-C4' energy: -146.539
flat angles C4'-P-C4' energy: -160.984
flat angles P-C4'-P energy: -109.926
tors. eta vs tors. theta energy: -236.089
Dist. restrs. and SS energy: 5.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2634.209726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.209726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.772098 (E_RNA)
where:
Base-Base interactions energy: -1879.916
where: short stacking energy: -756.924
Base-Backbone interact. energy: 2.256
local terms energy: -761.112361
where:
bonds (distance) C4'-P energy: -125.525
bonds (distance) P-C4' energy: -128.103
flat angles C4'-P-C4' energy: -167.260
flat angles P-C4'-P energy: -110.181
tors. eta vs tors. theta energy: -230.043
Dist. restrs. and SS energy: 4.562 (S_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: 418
Temperature: 1.050000
Total energy: -2562.612678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.612678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.548330 (E_RNA)
where:
Base-Base interactions energy: -1785.759
where: short stacking energy: -744.055
Base-Backbone interact. energy: -2.298
local terms energy: -781.492103
where:
bonds (distance) C4'-P energy: -129.326
bonds (distance) P-C4' energy: -137.733
flat angles C4'-P-C4' energy: -161.254
flat angles P-C4'-P energy: -117.065
tors. eta vs tors. theta energy: -236.114
Dist. restrs. and SS energy: 6.936 (S_DIST_RNA)
chem. 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: -2523.544089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.544089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.614767 (E_RNA)
where:
Base-Base interactions energy: -1800.102
where: short stacking energy: -737.840
Base-Backbone interact. energy: -4.922
local terms energy: -726.590651
where:
bonds (distance) C4'-P energy: -122.336
bonds (distance) P-C4' energy: -118.664
flat angles C4'-P-C4' energy: -151.930
flat angles P-C4'-P energy: -102.009
tors. eta vs tors. theta energy: -231.651
Dist. restrs. and SS energy: 8.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2450.905980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.905980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.962728 (E_RNA)
where:
Base-Base interactions energy: -1733.816
where: short stacking energy: -712.153
Base-Backbone interact. energy: -2.592
local terms energy: -723.554276
where:
bonds (distance) C4'-P energy: -126.467
bonds (distance) P-C4' energy: -121.522
flat angles C4'-P-C4' energy: -167.102
flat angles P-C4'-P energy: -96.959
tors. eta vs tors. theta energy: -211.504
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: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2284.977021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.977021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.036917 (E_RNA)
where:
Base-Base interactions energy: -1633.653
where: short stacking energy: -648.386
Base-Backbone interact. energy: -0.563
local terms energy: -658.821194
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -108.485
flat angles C4'-P-C4' energy: -136.517
flat angles P-C4'-P energy: -105.363
tors. eta vs tors. theta energy: -201.457
Dist. restrs. and SS energy: 8.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2245.920861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.920861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.525050 (E_RNA)
where:
Base-Base interactions energy: -1594.317
where: short stacking energy: -644.487
Base-Backbone interact. energy: 1.005
local terms energy: -662.212856
where:
bonds (distance) C4'-P energy: -110.139
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -128.796
flat angles P-C4'-P energy: -100.474
tors. eta vs tors. theta energy: -198.338
Dist. restrs. and SS energy: 9.604 (S_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: 418
Temperature: 1.300000
Total energy: -2119.183476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.183476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.426705 (E_RNA)
where:
Base-Base interactions energy: -1479.515
where: short stacking energy: -599.028
Base-Backbone interact. energy: -1.027
local terms energy: -650.884723
where:
bonds (distance) C4'-P energy: -119.282
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -141.970
flat angles P-C4'-P energy: -80.356
tors. eta vs tors. theta energy: -182.977
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: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1988.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.862665 (E_RNA)
where:
Base-Base interactions energy: -1408.225
where: short stacking energy: -561.201
Base-Backbone interact. energy: -0.939
local terms energy: -597.698735
where:
bonds (distance) C4'-P energy: -107.824
bonds (distance) P-C4' energy: -113.182
flat angles C4'-P-C4' energy: -121.015
flat angles P-C4'-P energy: -83.365
tors. eta vs tors. theta energy: -172.313
Dist. restrs. and SS energy: 17.979 (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: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2775.894666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.894666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.775409 (E_RNA)
where:
Base-Base interactions energy: -1967.669
where: short stacking energy: -818.625
Base-Backbone interact. energy: -1.957
local terms energy: -808.150052
where:
bonds (distance) C4'-P energy: -129.552
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -166.667
flat angles P-C4'-P energy: -116.680
tors. eta vs tors. theta energy: -260.459
Dist. restrs. and SS energy: 1.881 (S_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: 419
Temperature: 0.950000
Total energy: -2716.725467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.725467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.966858 (E_RNA)
where:
Base-Base interactions energy: -1930.031
where: short stacking energy: -790.581
Base-Backbone interact. energy: -2.097
local terms energy: -791.839341
where:
bonds (distance) C4'-P energy: -138.292
bonds (distance) P-C4' energy: -137.679
flat angles C4'-P-C4' energy: -169.816
flat angles P-C4'-P energy: -106.264
tors. eta vs tors. theta energy: -239.789
Dist. restrs. and SS energy: 7.241 (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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2645.587697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.587697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.270664 (E_RNA)
where:
Base-Base interactions energy: -1877.817
where: short stacking energy: -743.159
Base-Backbone interact. energy: -0.780
local terms energy: -772.674239
where:
bonds (distance) C4'-P energy: -120.190
bonds (distance) P-C4' energy: -134.396
flat angles C4'-P-C4' energy: -171.062
flat angles P-C4'-P energy: -113.714
tors. eta vs tors. theta energy: -233.312
Dist. restrs. and SS energy: 5.683 (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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2564.280515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.280515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.877798 (E_RNA)
where:
Base-Base interactions energy: -1832.260
where: short stacking energy: -751.129
Base-Backbone interact. energy: -0.530
local terms energy: -738.087672
where:
bonds (distance) C4'-P energy: -133.309
bonds (distance) P-C4' energy: -116.576
flat angles C4'-P-C4' energy: -156.817
flat angles P-C4'-P energy: -108.188
tors. eta vs tors. theta energy: -223.197
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: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2534.710415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.710415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.932163 (E_RNA)
where:
Base-Base interactions energy: -1815.377
where: short stacking energy: -726.492
Base-Backbone interact. energy: -1.667
local terms energy: -723.888489
where:
bonds (distance) C4'-P energy: -126.888
bonds (distance) P-C4' energy: -112.214
flat angles C4'-P-C4' energy: -153.471
flat angles P-C4'-P energy: -97.911
tors. eta vs tors. theta energy: -233.404
Dist. restrs. and SS energy: 6.222 (S_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: 419
Temperature: 1.150000
Total energy: -2450.551591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.551591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.519389 (E_RNA)
where:
Base-Base interactions energy: -1748.460
where: short stacking energy: -691.626
Base-Backbone interact. energy: -1.283
local terms energy: -708.776831
where:
bonds (distance) C4'-P energy: -124.307
bonds (distance) P-C4' energy: -127.638
flat angles C4'-P-C4' energy: -142.341
flat angles P-C4'-P energy: -93.983
tors. eta vs tors. theta energy: -220.508
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: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2306.538408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.538408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.248232 (E_RNA)
where:
Base-Base interactions energy: -1630.296
where: short stacking energy: -635.029
Base-Backbone interact. energy: -3.541
local terms energy: -681.411238
where:
bonds (distance) C4'-P energy: -117.265
bonds (distance) P-C4' energy: -125.693
flat angles C4'-P-C4' energy: -139.956
flat angles P-C4'-P energy: -93.328
tors. eta vs tors. theta energy: -205.169
Dist. restrs. and SS energy: 8.710 (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: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2222.320081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.320081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.501255 (E_RNA)
where:
Base-Base interactions energy: -1586.285
where: short stacking energy: -628.631
Base-Backbone interact. energy: -1.187
local terms energy: -643.029318
where:
bonds (distance) C4'-P energy: -126.666
bonds (distance) P-C4' energy: -107.586
flat angles C4'-P-C4' energy: -123.912
flat angles P-C4'-P energy: -88.909
tors. eta vs tors. theta energy: -195.956
Dist. restrs. and SS energy: 8.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -2129.366648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.366648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.534996 (E_RNA)
where:
Base-Base interactions energy: -1498.425
where: short stacking energy: -587.038
Base-Backbone interact. energy: 3.208
local terms energy: -645.317450
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -110.432
flat angles C4'-P-C4' energy: -135.935
flat angles P-C4'-P energy: -101.786
tors. eta vs tors. theta energy: -179.985
Dist. restrs. and SS energy: 11.168 (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: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1946.620911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.620911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.933402 (E_RNA)
where:
Base-Base interactions energy: -1396.256
where: short stacking energy: -575.157
Base-Backbone interact. energy: -3.474
local terms energy: -569.202921
where:
bonds (distance) C4'-P energy: -95.806
bonds (distance) P-C4' energy: -113.635
flat angles C4'-P-C4' energy: -127.122
flat angles P-C4'-P energy: -77.768
tors. eta vs tors. theta energy: -154.871
Dist. restrs. and SS energy: 22.312 (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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2764.988241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.988241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.186229 (E_RNA)
where:
Base-Base interactions energy: -1971.564
where: short stacking energy: -799.579
Base-Backbone interact. energy: -1.838
local terms energy: -793.784755
where:
bonds (distance) C4'-P energy: -131.026
bonds (distance) P-C4' energy: -139.758
flat angles C4'-P-C4' energy: -156.827
flat angles P-C4'-P energy: -112.473
tors. eta vs tors. theta energy: -253.701
Dist. restrs. and SS energy: 2.198 (S_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: 420
Temperature: 0.950000
Total energy: -2676.351573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.351573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.215974 (E_RNA)
where:
Base-Base interactions energy: -1900.562
where: short stacking energy: -793.573
Base-Backbone interact. energy: -0.826
local terms energy: -782.828032
where:
bonds (distance) C4'-P energy: -133.497
bonds (distance) P-C4' energy: -122.852
flat angles C4'-P-C4' energy: -165.778
flat angles P-C4'-P energy: -116.750
tors. eta vs tors. theta energy: -243.952
Dist. restrs. and SS energy: 7.864 (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: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2627.577630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.577630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.154523 (E_RNA)
where:
Base-Base interactions energy: -1884.620
where: short stacking energy: -770.893
Base-Backbone interact. energy: 1.514
local terms energy: -752.048336
where:
bonds (distance) C4'-P energy: -133.828
bonds (distance) P-C4' energy: -134.539
flat angles C4'-P-C4' energy: -151.502
flat angles P-C4'-P energy: -100.894
tors. eta vs tors. theta energy: -231.286
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: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2578.171153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.171153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.890787 (E_RNA)
where:
Base-Base interactions energy: -1835.432
where: short stacking energy: -748.807
Base-Backbone interact. energy: -0.726
local terms energy: -747.731880
where:
bonds (distance) C4'-P energy: -118.258
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -164.876
flat angles P-C4'-P energy: -106.325
tors. eta vs tors. theta energy: -223.415
Dist. restrs. and SS energy: 5.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2486.342660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.342660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.192390 (E_RNA)
where:
Base-Base interactions energy: -1759.335
where: short stacking energy: -691.854
Base-Backbone interact. energy: 0.062
local terms energy: -735.918535
where:
bonds (distance) C4'-P energy: -119.978
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -157.739
flat angles P-C4'-P energy: -100.598
tors. eta vs tors. theta energy: -233.614
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: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2470.442319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.442319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.585030 (E_RNA)
where:
Base-Base interactions energy: -1756.938
where: short stacking energy: -696.079
Base-Backbone interact. energy: 0.471
local terms energy: -722.118785
where:
bonds (distance) C4'-P energy: -142.494
bonds (distance) P-C4' energy: -120.464
flat angles C4'-P-C4' energy: -152.221
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -213.176
Dist. restrs. and SS energy: 8.143 (S_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: 420
Temperature: 1.200000
Total energy: -2308.578991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.578991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.589507 (E_RNA)
where:
Base-Base interactions energy: -1647.904
where: short stacking energy: -665.492
Base-Backbone interact. energy: -2.606
local terms energy: -667.079272
where:
bonds (distance) C4'-P energy: -108.551
bonds (distance) P-C4' energy: -125.824
flat angles C4'-P-C4' energy: -143.506
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -202.838
Dist. restrs. and SS energy: 9.011 (S_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: -2203.068369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.068369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.337844 (E_RNA)
where:
Base-Base interactions energy: -1581.483
where: short stacking energy: -617.052
Base-Backbone interact. energy: -0.941
local terms energy: -626.913208
where:
bonds (distance) C4'-P energy: -99.775
bonds (distance) P-C4' energy: -119.261
flat angles C4'-P-C4' energy: -128.318
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -190.959
Dist. restrs. and SS energy: 6.269 (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: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -2103.648975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.648975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.640789 (E_RNA)
where:
Base-Base interactions energy: -1511.774
where: short stacking energy: -579.211
Base-Backbone interact. energy: -0.827
local terms energy: -601.039936
where:
bonds (distance) C4'-P energy: -117.336
bonds (distance) P-C4' energy: -100.258
flat angles C4'-P-C4' energy: -132.718
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -177.740
Dist. restrs. and SS energy: 9.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1938.070475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.070475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.805322 (E_RNA)
where:
Base-Base interactions energy: -1383.148
where: short stacking energy: -542.955
Base-Backbone interact. energy: -1.598
local terms energy: -579.059658
where:
bonds (distance) C4'-P energy: -111.724
bonds (distance) P-C4' energy: -105.743
flat angles C4'-P-C4' energy: -133.205
flat angles P-C4'-P energy: -76.801
tors. eta vs tors. theta energy: -151.587
Dist. restrs. and SS energy: 25.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2785.985986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.985986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.937078 (E_RNA)
where:
Base-Base interactions energy: -1961.570
where: short stacking energy: -829.954
Base-Backbone interact. energy: 0.177
local terms energy: -827.544375
where:
bonds (distance) C4'-P energy: -144.540
bonds (distance) P-C4' energy: -140.805
flat angles C4'-P-C4' energy: -164.485
flat angles P-C4'-P energy: -125.185
tors. eta vs tors. theta energy: -252.530
Dist. restrs. and SS energy: 2.951 (S_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: 421
Temperature: 0.950000
Total energy: -2703.916361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.111839 (E_RNA)
where:
Base-Base interactions energy: -1934.826
where: short stacking energy: -797.714
Base-Backbone interact. energy: 0.982
local terms energy: -776.267759
where:
bonds (distance) C4'-P energy: -140.412
bonds (distance) P-C4' energy: -127.638
flat angles C4'-P-C4' energy: -157.861
flat angles P-C4'-P energy: -99.177
tors. eta vs tors. theta energy: -251.179
Dist. restrs. and SS energy: 6.195 (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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2640.061698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.061698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.718691 (E_RNA)
where:
Base-Base interactions energy: -1883.727
where: short stacking energy: -756.491
Base-Backbone interact. energy: -2.014
local terms energy: -762.977779
where:
bonds (distance) C4'-P energy: -134.749
bonds (distance) P-C4' energy: -147.827
flat angles C4'-P-C4' energy: -163.745
flat angles P-C4'-P energy: -91.770
tors. eta vs tors. theta energy: -224.887
Dist. restrs. and SS energy: 8.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2566.450291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.450291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.522796 (E_RNA)
where:
Base-Base interactions energy: -1805.150
where: short stacking energy: -726.095
Base-Backbone interact. energy: -3.533
local terms energy: -766.839420
where:
bonds (distance) C4'-P energy: -131.591
bonds (distance) P-C4' energy: -145.306
flat angles C4'-P-C4' energy: -147.608
flat angles P-C4'-P energy: -110.519
tors. eta vs tors. theta energy: -231.816
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: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2494.743932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.743932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.860000 (E_RNA)
where:
Base-Base interactions energy: -1768.594
where: short stacking energy: -726.775
Base-Backbone interact. energy: -4.207
local terms energy: -728.058947
where:
bonds (distance) C4'-P energy: -120.444
bonds (distance) P-C4' energy: -124.012
flat angles C4'-P-C4' energy: -147.956
flat angles P-C4'-P energy: -106.418
tors. eta vs tors. theta energy: -229.229
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: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2459.961593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.961593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.431252 (E_RNA)
where:
Base-Base interactions energy: -1739.021
where: short stacking energy: -699.289
Base-Backbone interact. energy: -2.903
local terms energy: -723.507772
where:
bonds (distance) C4'-P energy: -141.884
bonds (distance) P-C4' energy: -112.635
flat angles C4'-P-C4' energy: -146.105
flat angles P-C4'-P energy: -98.690
tors. eta vs tors. theta energy: -224.193
Dist. restrs. and SS energy: 5.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2328.287104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.287104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.662871 (E_RNA)
where:
Base-Base interactions energy: -1658.967
where: short stacking energy: -692.998
Base-Backbone interact. energy: -0.234
local terms energy: -683.462019
where:
bonds (distance) C4'-P energy: -118.538
bonds (distance) P-C4' energy: -114.054
flat angles C4'-P-C4' energy: -136.703
flat angles P-C4'-P energy: -102.218
tors. eta vs tors. theta energy: -211.949
Dist. restrs. and SS energy: 14.376 (S_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: 421
Temperature: 1.250000
Total energy: -2261.334740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.334740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.688279 (E_RNA)
where:
Base-Base interactions energy: -1617.381
where: short stacking energy: -662.962
Base-Backbone interact. energy: -0.586
local terms energy: -653.722114
where:
bonds (distance) C4'-P energy: -91.253
bonds (distance) P-C4' energy: -121.447
flat angles C4'-P-C4' energy: -136.300
flat angles P-C4'-P energy: -97.029
tors. eta vs tors. theta energy: -207.694
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: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -2139.349340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.349340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.603457 (E_RNA)
where:
Base-Base interactions energy: -1501.857
where: short stacking energy: -603.540
Base-Backbone interact. energy: -2.572
local terms energy: -650.173847
where:
bonds (distance) C4'-P energy: -108.501
bonds (distance) P-C4' energy: -134.414
flat angles C4'-P-C4' energy: -148.220
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -185.116
Dist. restrs. and SS energy: 15.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1953.530268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.530268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.341418 (E_RNA)
where:
Base-Base interactions energy: -1372.671
where: short stacking energy: -564.346
Base-Backbone interact. energy: -2.090
local terms energy: -609.580046
where:
bonds (distance) C4'-P energy: -114.676
bonds (distance) P-C4' energy: -117.939
flat angles C4'-P-C4' energy: -125.856
flat angles P-C4'-P energy: -82.664
tors. eta vs tors. theta energy: -168.445
Dist. restrs. and SS energy: 30.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2755.054290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.054290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.855096 (E_RNA)
where:
Base-Base interactions energy: -1951.007
where: short stacking energy: -808.030
Base-Backbone interact. energy: -1.153
local terms energy: -806.695393
where:
bonds (distance) C4'-P energy: -141.960
bonds (distance) P-C4' energy: -146.919
flat angles C4'-P-C4' energy: -162.819
flat angles P-C4'-P energy: -103.853
tors. eta vs tors. theta energy: -251.145
Dist. restrs. and SS energy: 3.801 (S_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: 422
Temperature: 0.950000
Total energy: -2710.089263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.828152 (E_RNA)
where:
Base-Base interactions energy: -1902.840
where: short stacking energy: -786.067
Base-Backbone interact. energy: -0.883
local terms energy: -814.106014
where:
bonds (distance) C4'-P energy: -146.713
bonds (distance) P-C4' energy: -134.772
flat angles C4'-P-C4' energy: -160.061
flat angles P-C4'-P energy: -121.638
tors. eta vs tors. theta energy: -250.922
Dist. restrs. and SS energy: 7.739 (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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2644.155296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.155296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.106573 (E_RNA)
where:
Base-Base interactions energy: -1875.353
where: short stacking energy: -779.353
Base-Backbone interact. energy: -0.830
local terms energy: -776.923481
where:
bonds (distance) C4'-P energy: -134.666
bonds (distance) P-C4' energy: -134.305
flat angles C4'-P-C4' energy: -148.322
flat angles P-C4'-P energy: -117.955
tors. eta vs tors. theta energy: -241.675
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2564.341290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.345771 (E_RNA)
where:
Base-Base interactions energy: -1827.577
where: short stacking energy: -749.871
Base-Backbone interact. energy: -4.345
local terms energy: -740.423223
where:
bonds (distance) C4'-P energy: -126.739
bonds (distance) P-C4' energy: -122.814
flat angles C4'-P-C4' energy: -155.950
flat angles P-C4'-P energy: -104.615
tors. eta vs tors. theta energy: -230.306
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: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2511.796393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.796393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.381080 (E_RNA)
where:
Base-Base interactions energy: -1792.846
where: short stacking energy: -745.406
Base-Backbone interact. energy: -1.387
local terms energy: -723.148080
where:
bonds (distance) C4'-P energy: -110.431
bonds (distance) P-C4' energy: -119.828
flat angles C4'-P-C4' energy: -158.123
flat angles P-C4'-P energy: -105.135
tors. eta vs tors. theta energy: -229.631
Dist. restrs. and SS energy: 5.585 (S_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: 422
Temperature: 1.150000
Total energy: -2485.193159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.193159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.694536 (E_RNA)
where:
Base-Base interactions energy: -1767.381
where: short stacking energy: -712.135
Base-Backbone interact. energy: -2.782
local terms energy: -723.532194
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -124.532
flat angles C4'-P-C4' energy: -152.967
flat angles P-C4'-P energy: -95.625
tors. eta vs tors. theta energy: -229.677
Dist. restrs. and SS energy: 8.501 (S_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: 422
Temperature: 1.200000
Total energy: -2285.989516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.989516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.907441 (E_RNA)
where:
Base-Base interactions energy: -1610.950
where: short stacking energy: -676.358
Base-Backbone interact. energy: 0.139
local terms energy: -685.097119
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -115.934
flat angles C4'-P-C4' energy: -138.126
flat angles P-C4'-P energy: -84.208
tors. eta vs tors. theta energy: -210.249
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2296.674369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.781434 (E_RNA)
where:
Base-Base interactions energy: -1628.081
where: short stacking energy: -651.635
Base-Backbone interact. energy: 0.318
local terms energy: -680.018502
where:
bonds (distance) C4'-P energy: -122.936
bonds (distance) P-C4' energy: -116.220
flat angles C4'-P-C4' energy: -133.792
flat angles P-C4'-P energy: -98.579
tors. eta vs tors. theta energy: -208.492
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -2128.093643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.093643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.578655 (E_RNA)
where:
Base-Base interactions energy: -1487.077
where: short stacking energy: -594.778
Base-Backbone interact. energy: 0.779
local terms energy: -652.280841
where:
bonds (distance) C4'-P energy: -126.363
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -131.170
flat angles P-C4'-P energy: -102.674
tors. eta vs tors. theta energy: -182.073
Dist. restrs. and SS energy: 10.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1976.752477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.752477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.599756 (E_RNA)
where:
Base-Base interactions energy: -1382.842
where: short stacking energy: -557.146
Base-Backbone interact. energy: -3.072
local terms energy: -620.686487
where:
bonds (distance) C4'-P energy: -118.990
bonds (distance) P-C4' energy: -119.676
flat angles C4'-P-C4' energy: -128.840
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -170.062
Dist. restrs. and SS energy: 29.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2738.190334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.691646 (E_RNA)
where:
Base-Base interactions energy: -1944.847
where: short stacking energy: -803.580
Base-Backbone interact. energy: -4.005
local terms energy: -792.839891
where:
bonds (distance) C4'-P energy: -132.389
bonds (distance) P-C4' energy: -133.642
flat angles C4'-P-C4' energy: -162.402
flat angles P-C4'-P energy: -119.639
tors. eta vs tors. theta energy: -244.768
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: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2665.293534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.293534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.846977 (E_RNA)
where:
Base-Base interactions energy: -1889.790
where: short stacking energy: -770.340
Base-Backbone interact. energy: 2.352
local terms energy: -785.409041
where:
bonds (distance) C4'-P energy: -137.680
bonds (distance) P-C4' energy: -141.479
flat angles C4'-P-C4' energy: -161.110
flat angles P-C4'-P energy: -105.124
tors. eta vs tors. theta energy: -240.017
Dist. restrs. and SS energy: 7.553 (S_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: 423
Temperature: 1.000000
Total energy: -2637.820929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.820929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.242156 (E_RNA)
where:
Base-Base interactions energy: -1874.920
where: short stacking energy: -768.595
Base-Backbone interact. energy: -2.077
local terms energy: -767.245012
where:
bonds (distance) C4'-P energy: -130.472
bonds (distance) P-C4' energy: -143.066
flat angles C4'-P-C4' energy: -157.889
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -234.530
Dist. restrs. and SS energy: 6.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2563.056416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.056416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.742232 (E_RNA)
where:
Base-Base interactions energy: -1830.529
where: short stacking energy: -744.991
Base-Backbone interact. energy: 0.798
local terms energy: -742.011455
where:
bonds (distance) C4'-P energy: -136.687
bonds (distance) P-C4' energy: -129.096
flat angles C4'-P-C4' energy: -152.640
flat angles P-C4'-P energy: -105.625
tors. eta vs tors. theta energy: -217.963
Dist. restrs. and SS energy: 8.686 (S_DIST_RNA)
chem. 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: -2525.834673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.834673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.497876 (E_RNA)
where:
Base-Base interactions energy: -1801.428
where: short stacking energy: -735.238
Base-Backbone interact. energy: -1.769
local terms energy: -727.300368
where:
bonds (distance) C4'-P energy: -119.288
bonds (distance) P-C4' energy: -128.989
flat angles C4'-P-C4' energy: -150.038
flat angles P-C4'-P energy: -99.494
tors. eta vs tors. theta energy: -229.491
Dist. restrs. and SS energy: 4.663 (S_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: 423
Temperature: 1.150000
Total energy: -2497.722004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.722004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.130538 (E_RNA)
where:
Base-Base interactions energy: -1770.499
where: short stacking energy: -724.474
Base-Backbone interact. energy: -2.898
local terms energy: -733.734146
where:
bonds (distance) C4'-P energy: -114.471
bonds (distance) P-C4' energy: -120.333
flat angles C4'-P-C4' energy: -150.005
flat angles P-C4'-P energy: -109.644
tors. eta vs tors. theta energy: -239.281
Dist. restrs. and SS energy: 9.409 (S_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: 423
Temperature: 1.200000
Total energy: -2282.219587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.219587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.979898 (E_RNA)
where:
Base-Base interactions energy: -1641.608
where: short stacking energy: -646.084
Base-Backbone interact. energy: -3.389
local terms energy: -645.982714
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -92.139
tors. eta vs tors. theta energy: -200.489
Dist. restrs. and SS energy: 8.760 (S_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: 423
Temperature: 1.250000
Total energy: -2255.472349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.472349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.887236 (E_RNA)
where:
Base-Base interactions energy: -1607.921
where: short stacking energy: -653.748
Base-Backbone interact. energy: -2.755
local terms energy: -656.210916
where:
bonds (distance) C4'-P energy: -133.179
bonds (distance) P-C4' energy: -115.496
flat angles C4'-P-C4' energy: -135.092
flat angles P-C4'-P energy: -71.942
tors. eta vs tors. theta energy: -200.501
Dist. restrs. and SS energy: 11.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -2152.453186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.453186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.980451 (E_RNA)
where:
Base-Base interactions energy: -1529.467
where: short stacking energy: -611.323
Base-Backbone interact. energy: -0.094
local terms energy: -637.419838
where:
bonds (distance) C4'-P energy: -119.271
bonds (distance) P-C4' energy: -120.752
flat angles C4'-P-C4' energy: -126.096
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -187.983
Dist. restrs. and SS energy: 14.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -2000.357682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.357682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.887277 (E_RNA)
where:
Base-Base interactions energy: -1429.620
where: short stacking energy: -564.932
Base-Backbone interact. energy: -4.997
local terms energy: -578.269794
where:
bonds (distance) C4'-P energy: -106.281
bonds (distance) P-C4' energy: -115.337
flat angles C4'-P-C4' energy: -123.284
flat angles P-C4'-P energy: -63.343
tors. eta vs tors. theta energy: -170.025
Dist. restrs. and SS energy: 12.530 (S_DIST_RNA)
chem. 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: -2759.317335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.317335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.591710 (E_RNA)
where:
Base-Base interactions energy: -1971.939
where: short stacking energy: -817.565
Base-Backbone interact. energy: 0.716
local terms energy: -796.369182
where:
bonds (distance) C4'-P energy: -134.703
bonds (distance) P-C4' energy: -138.007
flat angles C4'-P-C4' energy: -161.737
flat angles P-C4'-P energy: -114.098
tors. eta vs tors. theta energy: -247.824
Dist. restrs. and SS energy: 8.274 (S_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: 424
Temperature: 0.950000
Total energy: -2694.216015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.216015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.066427 (E_RNA)
where:
Base-Base interactions energy: -1872.101
where: short stacking energy: -770.956
Base-Backbone interact. energy: -2.028
local terms energy: -822.936571
where:
bonds (distance) C4'-P energy: -141.170
bonds (distance) P-C4' energy: -146.305
flat angles C4'-P-C4' energy: -173.758
flat angles P-C4'-P energy: -117.175
tors. eta vs tors. theta energy: -244.528
Dist. restrs. and SS energy: 2.850 (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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2625.893310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.893310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.214121 (E_RNA)
where:
Base-Base interactions energy: -1853.002
where: short stacking energy: -745.596
Base-Backbone interact. energy: -1.368
local terms energy: -780.844282
where:
bonds (distance) C4'-P energy: -133.793
bonds (distance) P-C4' energy: -143.980
flat angles C4'-P-C4' energy: -168.579
flat angles P-C4'-P energy: -101.396
tors. eta vs tors. theta energy: -233.096
Dist. restrs. and SS energy: 9.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2559.905236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.905236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.686673 (E_RNA)
where:
Base-Base interactions energy: -1829.342
where: short stacking energy: -773.873
Base-Backbone interact. energy: 0.866
local terms energy: -742.210845
where:
bonds (distance) C4'-P energy: -121.123
bonds (distance) P-C4' energy: -123.754
flat angles C4'-P-C4' energy: -153.457
flat angles P-C4'-P energy: -109.127
tors. eta vs tors. theta energy: -234.750
Dist. restrs. and SS energy: 10.781 (S_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: 424
Temperature: 1.100000
Total energy: -2506.718309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.718309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.802262 (E_RNA)
where:
Base-Base interactions energy: -1801.264
where: short stacking energy: -729.110
Base-Backbone interact. energy: -3.609
local terms energy: -710.928922
where:
bonds (distance) C4'-P energy: -118.605
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -152.211
flat angles P-C4'-P energy: -92.512
tors. eta vs tors. theta energy: -233.056
Dist. restrs. and SS energy: 9.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2500.818057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.818057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.519840 (E_RNA)
where:
Base-Base interactions energy: -1777.705
where: short stacking energy: -708.829
Base-Backbone interact. energy: -1.008
local terms energy: -729.806382
where:
bonds (distance) C4'-P energy: -142.054
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -150.572
flat angles P-C4'-P energy: -101.101
tors. eta vs tors. theta energy: -219.227
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: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2338.692887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.692887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.154397 (E_RNA)
where:
Base-Base interactions energy: -1664.792
where: short stacking energy: -668.874
Base-Backbone interact. energy: -0.310
local terms energy: -680.052631
where:
bonds (distance) C4'-P energy: -111.394
bonds (distance) P-C4' energy: -106.777
flat angles C4'-P-C4' energy: -154.392
flat angles P-C4'-P energy: -98.338
tors. eta vs tors. theta energy: -209.151
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: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2246.680715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.680715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.124144 (E_RNA)
where:
Base-Base interactions energy: -1581.632
where: short stacking energy: -644.118
Base-Backbone interact. energy: 4.742
local terms energy: -676.234033
where:
bonds (distance) C4'-P energy: -117.905
bonds (distance) P-C4' energy: -125.003
flat angles C4'-P-C4' energy: -150.335
flat angles P-C4'-P energy: -84.822
tors. eta vs tors. theta energy: -198.170
Dist. restrs. and SS energy: 6.443 (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: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -2141.954063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.954063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.783573 (E_RNA)
where:
Base-Base interactions energy: -1561.475
where: short stacking energy: -615.462
Base-Backbone interact. energy: 2.204
local terms energy: -592.512968
where:
bonds (distance) C4'-P energy: -99.751
bonds (distance) P-C4' energy: -116.304
flat angles C4'-P-C4' energy: -125.740
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -177.919
Dist. restrs. and SS energy: 9.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1940.563496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.461354 (E_RNA)
where:
Base-Base interactions energy: -1372.338
where: short stacking energy: -547.494
Base-Backbone interact. energy: 2.786
local terms energy: -595.909215
where:
bonds (distance) C4'-P energy: -113.316
bonds (distance) P-C4' energy: -132.543
flat angles C4'-P-C4' energy: -122.586
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -160.459
Dist. restrs. and SS energy: 24.898 (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: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2772.410779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.410779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.249861 (E_RNA)
where:
Base-Base interactions energy: -1958.498
where: short stacking energy: -811.889
Base-Backbone interact. energy: -4.108
local terms energy: -817.643387
where:
bonds (distance) C4'-P energy: -141.736
bonds (distance) P-C4' energy: -144.756
flat angles C4'-P-C4' energy: -161.000
flat angles P-C4'-P energy: -117.545
tors. eta vs tors. theta energy: -252.606
Dist. restrs. and SS energy: 7.839 (S_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: 425
Temperature: 0.950000
Total energy: -2686.132339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.330256 (E_RNA)
where:
Base-Base interactions energy: -1909.048
where: short stacking energy: -794.218
Base-Backbone interact. energy: -2.087
local terms energy: -777.194804
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -141.993
flat angles C4'-P-C4' energy: -165.679
flat angles P-C4'-P energy: -99.570
tors. eta vs tors. theta energy: -248.333
Dist. restrs. and SS energy: 2.198 (S_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: 425
Temperature: 1.000000
Total energy: -2642.347097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.347097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.985634 (E_RNA)
where:
Base-Base interactions energy: -1878.760
where: short stacking energy: -767.483
Base-Backbone interact. energy: -0.799
local terms energy: -771.426886
where:
bonds (distance) C4'-P energy: -132.758
bonds (distance) P-C4' energy: -126.959
flat angles C4'-P-C4' energy: -160.443
flat angles P-C4'-P energy: -115.090
tors. eta vs tors. theta energy: -236.177
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: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2599.194264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.830783 (E_RNA)
where:
Base-Base interactions energy: -1850.835
where: short stacking energy: -768.396
Base-Backbone interact. energy: -1.403
local terms energy: -755.592441
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -125.568
flat angles C4'-P-C4' energy: -153.324
flat angles P-C4'-P energy: -110.565
tors. eta vs tors. theta energy: -237.205
Dist. restrs. and SS energy: 8.637 (S_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: 425
Temperature: 1.100000
Total energy: -2492.502567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.502567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.516065 (E_RNA)
where:
Base-Base interactions energy: -1775.186
where: short stacking energy: -729.774
Base-Backbone interact. energy: -3.662
local terms energy: -723.668424
where:
bonds (distance) C4'-P energy: -128.651
bonds (distance) P-C4' energy: -134.394
flat angles C4'-P-C4' energy: -151.890
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -229.646
Dist. restrs. and SS energy: 10.013 (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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2468.204955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.204955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.982202 (E_RNA)
where:
Base-Base interactions energy: -1765.330
where: short stacking energy: -729.902
Base-Backbone interact. energy: -1.423
local terms energy: -708.229652
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -107.782
flat angles C4'-P-C4' energy: -152.455
flat angles P-C4'-P energy: -89.323
tors. eta vs tors. theta energy: -230.656
Dist. restrs. and SS energy: 6.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2330.806076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.806076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.864577 (E_RNA)
where:
Base-Base interactions energy: -1650.501
where: short stacking energy: -667.944
Base-Backbone interact. energy: -2.132
local terms energy: -682.231396
where:
bonds (distance) C4'-P energy: -114.383
bonds (distance) P-C4' energy: -108.990
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -110.353
tors. eta vs tors. theta energy: -207.372
Dist. restrs. and SS energy: 4.059 (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: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2213.847789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.847789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.360505 (E_RNA)
where:
Base-Base interactions energy: -1589.142
where: short stacking energy: -627.393
Base-Backbone interact. energy: 0.016
local terms energy: -629.234730
where:
bonds (distance) C4'-P energy: -115.263
bonds (distance) P-C4' energy: -100.462
flat angles C4'-P-C4' energy: -129.885
flat angles P-C4'-P energy: -93.913
tors. eta vs tors. theta energy: -189.712
Dist. restrs. and SS energy: 4.513 (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: 425
Temperature: 1.300000
Total energy: -2154.889998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.889998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.875787 (E_RNA)
where:
Base-Base interactions energy: -1530.687
where: short stacking energy: -598.704
Base-Backbone interact. energy: -1.705
local terms energy: -636.484351
where:
bonds (distance) C4'-P energy: -116.113
bonds (distance) P-C4' energy: -126.912
flat angles C4'-P-C4' energy: -135.506
flat angles P-C4'-P energy: -71.578
tors. eta vs tors. theta energy: -186.375
Dist. restrs. and SS energy: 13.986 (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: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1971.974843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.974843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.078716 (E_RNA)
where:
Base-Base interactions energy: -1405.931
where: short stacking energy: -569.353
Base-Backbone interact. energy: -0.194
local terms energy: -587.953672
where:
bonds (distance) C4'-P energy: -111.402
bonds (distance) P-C4' energy: -113.333
flat angles C4'-P-C4' energy: -127.919
flat angles P-C4'-P energy: -67.611
tors. eta vs tors. theta energy: -167.689
Dist. restrs. and SS energy: 22.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2733.227761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.227761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.494414 (E_RNA)
where:
Base-Base interactions energy: -1934.970
where: short stacking energy: -799.227
Base-Backbone interact. energy: -1.561
local terms energy: -802.963923
where:
bonds (distance) C4'-P energy: -132.259
bonds (distance) P-C4' energy: -139.511
flat angles C4'-P-C4' energy: -164.761
flat angles P-C4'-P energy: -119.310
tors. eta vs tors. theta energy: -247.123
Dist. restrs. and SS energy: 6.267 (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: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2682.968222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.968222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.157022 (E_RNA)
where:
Base-Base interactions energy: -1885.602
where: short stacking energy: -776.744
Base-Backbone interact. energy: -1.777
local terms energy: -802.778209
where:
bonds (distance) C4'-P energy: -144.407
bonds (distance) P-C4' energy: -144.920
flat angles C4'-P-C4' energy: -166.851
flat angles P-C4'-P energy: -102.708
tors. eta vs tors. theta energy: -243.893
Dist. restrs. and SS energy: 7.189 (S_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: 426
Temperature: 1.000000
Total energy: -2655.134184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.134184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.928389 (E_RNA)
where:
Base-Base interactions energy: -1873.902
where: short stacking energy: -789.858
Base-Backbone interact. energy: -0.287
local terms energy: -789.739479
where:
bonds (distance) C4'-P energy: -133.146
bonds (distance) P-C4' energy: -130.175
flat angles C4'-P-C4' energy: -163.287
flat angles P-C4'-P energy: -111.422
tors. eta vs tors. theta energy: -251.710
Dist. restrs. and SS energy: 8.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2594.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.284010 (E_RNA)
where:
Base-Base interactions energy: -1873.047
where: short stacking energy: -756.456
Base-Backbone interact. energy: -0.198
local terms energy: -730.038761
where:
bonds (distance) C4'-P energy: -117.630
bonds (distance) P-C4' energy: -131.755
flat angles C4'-P-C4' energy: -152.284
flat angles P-C4'-P energy: -96.265
tors. eta vs tors. theta energy: -232.104
Dist. restrs. and SS energy: 9.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2505.061536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.061536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.165222 (E_RNA)
where:
Base-Base interactions energy: -1827.001
where: short stacking energy: -729.629
Base-Backbone interact. energy: 0.350
local terms energy: -687.513906
where:
bonds (distance) C4'-P energy: -104.465
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -147.043
flat angles P-C4'-P energy: -105.764
tors. eta vs tors. theta energy: -225.481
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2430.773825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.773825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.077249 (E_RNA)
where:
Base-Base interactions energy: -1748.245
where: short stacking energy: -720.060
Base-Backbone interact. energy: -3.318
local terms energy: -692.514911
where:
bonds (distance) C4'-P energy: -104.189
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -145.471
flat angles P-C4'-P energy: -94.608
tors. eta vs tors. theta energy: -226.906
Dist. restrs. and SS energy: 13.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2408.925438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.925438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.595844 (E_RNA)
where:
Base-Base interactions energy: -1704.538
where: short stacking energy: -705.953
Base-Backbone interact. energy: -0.891
local terms energy: -714.166726
where:
bonds (distance) C4'-P energy: -128.211
bonds (distance) P-C4' energy: -119.762
flat angles C4'-P-C4' energy: -152.307
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -221.114
Dist. restrs. and SS energy: 10.670 (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: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2199.007547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.007547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.427584 (E_RNA)
where:
Base-Base interactions energy: -1588.110
where: short stacking energy: -636.302
Base-Backbone interact. energy: -1.595
local terms energy: -617.722331
where:
bonds (distance) C4'-P energy: -89.361
bonds (distance) P-C4' energy: -111.174
flat angles C4'-P-C4' energy: -137.329
flat angles P-C4'-P energy: -86.488
tors. eta vs tors. theta energy: -193.371
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: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -2119.500669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.500669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.802280 (E_RNA)
where:
Base-Base interactions energy: -1508.149
where: short stacking energy: -601.132
Base-Backbone interact. energy: -2.695
local terms energy: -625.959034
where:
bonds (distance) C4'-P energy: -121.227
bonds (distance) P-C4' energy: -94.292
flat angles C4'-P-C4' energy: -142.632
flat angles P-C4'-P energy: -88.968
tors. eta vs tors. theta energy: -178.840
Dist. restrs. and SS energy: 17.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1981.079329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.079329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.260630 (E_RNA)
where:
Base-Base interactions energy: -1395.713
where: short stacking energy: -569.020
Base-Backbone interact. energy: -3.046
local terms energy: -598.501355
where:
bonds (distance) C4'-P energy: -112.846
bonds (distance) P-C4' energy: -103.726
flat angles C4'-P-C4' energy: -122.118
flat angles P-C4'-P energy: -80.808
tors. eta vs tors. theta energy: -179.004
Dist. restrs. and SS energy: 16.181 (S_DIST_RNA)
chem. 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: -2753.154361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.154361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.788072 (E_RNA)
where:
Base-Base interactions energy: -1931.362
where: short stacking energy: -806.484
Base-Backbone interact. energy: -2.261
local terms energy: -824.165180
where:
bonds (distance) C4'-P energy: -133.437
bonds (distance) P-C4' energy: -140.291
flat angles C4'-P-C4' energy: -169.570
flat angles P-C4'-P energy: -126.457
tors. eta vs tors. theta energy: -254.411
Dist. restrs. and SS energy: 4.634 (S_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: 427
Temperature: 0.950000
Total energy: -2702.956387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.956387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.543428 (E_RNA)
where:
Base-Base interactions energy: -1910.241
where: short stacking energy: -828.770
Base-Backbone interact. energy: -0.688
local terms energy: -799.614944
where:
bonds (distance) C4'-P energy: -134.134
bonds (distance) P-C4' energy: -130.978
flat angles C4'-P-C4' energy: -161.183
flat angles P-C4'-P energy: -121.049
tors. eta vs tors. theta energy: -252.271
Dist. restrs. and SS energy: 7.587 (S_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: 427
Temperature: 1.000000
Total energy: -2640.392293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.392293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.027064 (E_RNA)
where:
Base-Base interactions energy: -1912.445
where: short stacking energy: -786.588
Base-Backbone interact. energy: 2.590
local terms energy: -733.172265
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -116.473
flat angles C4'-P-C4' energy: -157.082
flat angles P-C4'-P energy: -107.072
tors. eta vs tors. theta energy: -252.975
Dist. restrs. and SS energy: 2.635 (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: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2584.759072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.759072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.406470 (E_RNA)
where:
Base-Base interactions energy: -1841.950
where: short stacking energy: -753.943
Base-Backbone interact. energy: -2.551
local terms energy: -747.905780
where:
bonds (distance) C4'-P energy: -123.463
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -165.199
flat angles P-C4'-P energy: -99.910
tors. eta vs tors. theta energy: -241.447
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2580.077675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.077675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.896508 (E_RNA)
where:
Base-Base interactions energy: -1832.506
where: short stacking energy: -750.735
Base-Backbone interact. energy: 2.438
local terms energy: -759.828275
where:
bonds (distance) C4'-P energy: -138.561
bonds (distance) P-C4' energy: -133.289
flat angles C4'-P-C4' energy: -152.138
flat angles P-C4'-P energy: -109.269
tors. eta vs tors. theta energy: -226.572
Dist. restrs. and SS energy: 9.819 (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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2426.571532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.571532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.951387 (E_RNA)
where:
Base-Base interactions energy: -1727.245
where: short stacking energy: -696.188
Base-Backbone interact. energy: 0.240
local terms energy: -706.946773
where:
bonds (distance) C4'-P energy: -122.478
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -158.326
flat angles P-C4'-P energy: -105.674
tors. eta vs tors. theta energy: -204.954
Dist. restrs. and SS energy: 7.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2375.334384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.334384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.594830 (E_RNA)
where:
Base-Base interactions energy: -1699.459
where: short stacking energy: -688.394
Base-Backbone interact. energy: -2.071
local terms energy: -685.064488
where:
bonds (distance) C4'-P energy: -115.599
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -155.935
flat angles P-C4'-P energy: -91.508
tors. eta vs tors. theta energy: -224.061
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: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2180.576017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.576017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.767772 (E_RNA)
where:
Base-Base interactions energy: -1558.172
where: short stacking energy: -609.360
Base-Backbone interact. energy: 2.225
local terms energy: -639.820274
where:
bonds (distance) C4'-P energy: -110.240
bonds (distance) P-C4' energy: -120.724
flat angles C4'-P-C4' energy: -138.395
flat angles P-C4'-P energy: -82.831
tors. eta vs tors. theta energy: -187.629
Dist. restrs. and SS energy: 15.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2151.802363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.802363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.941633 (E_RNA)
where:
Base-Base interactions energy: -1536.574
where: short stacking energy: -624.543
Base-Backbone interact. energy: -1.846
local terms energy: -626.521489
where:
bonds (distance) C4'-P energy: -93.307
bonds (distance) P-C4' energy: -122.309
flat angles C4'-P-C4' energy: -126.696
flat angles P-C4'-P energy: -88.299
tors. eta vs tors. theta energy: -195.912
Dist. restrs. and SS energy: 13.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1980.048737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.048737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.551428 (E_RNA)
where:
Base-Base interactions energy: -1383.219
where: short stacking energy: -560.218
Base-Backbone interact. energy: 3.692
local terms energy: -623.024101
where:
bonds (distance) C4'-P energy: -110.323
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -135.012
flat angles P-C4'-P energy: -90.432
tors. eta vs tors. theta energy: -166.687
Dist. restrs. and SS energy: 22.503 (S_DIST_RNA)
chem. 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: -2757.882511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.882511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.037598 (E_RNA)
where:
Base-Base interactions energy: -1966.273
where: short stacking energy: -795.376
Base-Backbone interact. energy: -4.870
local terms energy: -793.894467
where:
bonds (distance) C4'-P energy: -137.889
bonds (distance) P-C4' energy: -123.926
flat angles C4'-P-C4' energy: -158.141
flat angles P-C4'-P energy: -124.937
tors. eta vs tors. theta energy: -249.001
Dist. restrs. and SS energy: 7.155 (S_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: 428
Temperature: 0.950000
Total energy: -2721.054932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.054932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.828738 (E_RNA)
where:
Base-Base interactions energy: -1942.428
where: short stacking energy: -799.245
Base-Backbone interact. energy: -1.897
local terms energy: -785.503827
where:
bonds (distance) C4'-P energy: -138.390
bonds (distance) P-C4' energy: -123.584
flat angles C4'-P-C4' energy: -158.338
flat angles P-C4'-P energy: -117.433
tors. eta vs tors. theta energy: -247.759
Dist. restrs. and SS energy: 8.774 (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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2679.388095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.388095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.830579 (E_RNA)
where:
Base-Base interactions energy: -1899.069
where: short stacking energy: -788.884
Base-Backbone interact. energy: -4.397
local terms energy: -778.363871
where:
bonds (distance) C4'-P energy: -122.449
bonds (distance) P-C4' energy: -131.418
flat angles C4'-P-C4' energy: -170.039
flat angles P-C4'-P energy: -114.655
tors. eta vs tors. theta energy: -239.803
Dist. restrs. and SS energy: 2.442 (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: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2581.450827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.450827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.686978 (E_RNA)
where:
Base-Base interactions energy: -1844.997
where: short stacking energy: -739.378
Base-Backbone interact. energy: -1.451
local terms energy: -744.239053
where:
bonds (distance) C4'-P energy: -128.936
bonds (distance) P-C4' energy: -127.126
flat angles C4'-P-C4' energy: -156.047
flat angles P-C4'-P energy: -110.891
tors. eta vs tors. theta energy: -221.239
Dist. restrs. and SS energy: 9.236 (S_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: 428
Temperature: 1.100000
Total energy: -2519.754346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.754346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.445877 (E_RNA)
where:
Base-Base interactions energy: -1817.353
where: short stacking energy: -744.607
Base-Backbone interact. energy: -0.735
local terms energy: -714.358131
where:
bonds (distance) C4'-P energy: -126.527
bonds (distance) P-C4' energy: -105.037
flat angles C4'-P-C4' energy: -150.351
flat angles P-C4'-P energy: -103.614
tors. eta vs tors. theta energy: -228.830
Dist. restrs. and SS energy: 12.692 (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: 428
Temperature: 1.150000
Total energy: -2402.527376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.527376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.452974 (E_RNA)
where:
Base-Base interactions energy: -1729.422
where: short stacking energy: -703.892
Base-Backbone interact. energy: -2.787
local terms energy: -678.243599
where:
bonds (distance) C4'-P energy: -100.475
bonds (distance) P-C4' energy: -107.356
flat angles C4'-P-C4' energy: -146.553
flat angles P-C4'-P energy: -108.232
tors. eta vs tors. theta energy: -215.628
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2362.198851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.198851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.093212 (E_RNA)
where:
Base-Base interactions energy: -1668.513
where: short stacking energy: -664.707
Base-Backbone interact. energy: -5.036
local terms energy: -695.544661
where:
bonds (distance) C4'-P energy: -119.466
bonds (distance) P-C4' energy: -115.795
flat angles C4'-P-C4' energy: -144.741
flat angles P-C4'-P energy: -89.321
tors. eta vs tors. theta energy: -226.221
Dist. restrs. and SS energy: 6.894 (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: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2199.715070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.715070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.689314 (E_RNA)
where:
Base-Base interactions energy: -1564.497
where: short stacking energy: -640.012
Base-Backbone interact. energy: 3.876
local terms energy: -647.068247
where:
bonds (distance) C4'-P energy: -123.579
bonds (distance) P-C4' energy: -115.063
flat angles C4'-P-C4' energy: -133.068
flat angles P-C4'-P energy: -90.726
tors. eta vs tors. theta energy: -184.633
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: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -2167.025965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.025965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.702274 (E_RNA)
where:
Base-Base interactions energy: -1551.110
where: short stacking energy: -638.231
Base-Backbone interact. energy: 3.346
local terms energy: -626.937763
where:
bonds (distance) C4'-P energy: -81.365
bonds (distance) P-C4' energy: -126.095
flat angles C4'-P-C4' energy: -125.208
flat angles P-C4'-P energy: -89.808
tors. eta vs tors. theta energy: -204.461
Dist. restrs. and SS energy: 7.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1964.444882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.444882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.885729 (E_RNA)
where:
Base-Base interactions energy: -1395.320
where: short stacking energy: -573.133
Base-Backbone interact. energy: -3.263
local terms energy: -589.302978
where:
bonds (distance) C4'-P energy: -101.204
bonds (distance) P-C4' energy: -106.598
flat angles C4'-P-C4' energy: -139.607
flat angles P-C4'-P energy: -61.530
tors. eta vs tors. theta energy: -180.364
Dist. restrs. and SS energy: 23.441 (S_DIST_RNA)
chem. 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: -2748.574684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.574684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.726313 (E_RNA)
where:
Base-Base interactions energy: -1964.038
where: short stacking energy: -823.798
Base-Backbone interact. energy: -4.315
local terms energy: -786.373057
where:
bonds (distance) C4'-P energy: -123.263
bonds (distance) P-C4' energy: -141.374
flat angles C4'-P-C4' energy: -165.732
flat angles P-C4'-P energy: -111.763
tors. eta vs tors. theta energy: -244.241
Dist. restrs. and SS energy: 6.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2738.173368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.173368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.046342 (E_RNA)
where:
Base-Base interactions energy: -1939.507
where: short stacking energy: -803.876
Base-Backbone interact. energy: -3.535
local terms energy: -799.004141
where:
bonds (distance) C4'-P energy: -145.536
bonds (distance) P-C4' energy: -123.430
flat angles C4'-P-C4' energy: -171.435
flat angles P-C4'-P energy: -117.560
tors. eta vs tors. theta energy: -241.043
Dist. restrs. and SS energy: 3.873 (S_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: 429
Temperature: 1.000000
Total energy: -2645.077852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.077852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.730597 (E_RNA)
where:
Base-Base interactions energy: -1874.060
where: short stacking energy: -758.077
Base-Backbone interact. energy: -3.471
local terms energy: -775.198862
where:
bonds (distance) C4'-P energy: -139.784
bonds (distance) P-C4' energy: -142.636
flat angles C4'-P-C4' energy: -156.263
flat angles P-C4'-P energy: -102.012
tors. eta vs tors. theta energy: -234.504
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: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2592.240893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.240893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.584722 (E_RNA)
where:
Base-Base interactions energy: -1838.095
where: short stacking energy: -748.394
Base-Backbone interact. energy: 0.754
local terms energy: -764.243497
where:
bonds (distance) C4'-P energy: -139.082
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -150.457
flat angles P-C4'-P energy: -116.586
tors. eta vs tors. theta energy: -238.248
Dist. restrs. and SS energy: 9.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2515.287553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.287553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.400585 (E_RNA)
where:
Base-Base interactions energy: -1798.857
where: short stacking energy: -729.692
Base-Backbone interact. energy: -2.174
local terms energy: -721.369522
where:
bonds (distance) C4'-P energy: -123.921
bonds (distance) P-C4' energy: -121.911
flat angles C4'-P-C4' energy: -160.516
flat angles P-C4'-P energy: -99.156
tors. eta vs tors. theta energy: -215.865
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2398.019351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.019351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.769823 (E_RNA)
where:
Base-Base interactions energy: -1668.553
where: short stacking energy: -684.399
Base-Backbone interact. energy: -0.459
local terms energy: -738.757938
where:
bonds (distance) C4'-P energy: -133.047
bonds (distance) P-C4' energy: -146.573
flat angles C4'-P-C4' energy: -140.867
flat angles P-C4'-P energy: -109.603
tors. eta vs tors. theta energy: -208.669
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: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2360.059240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.059240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.023213 (E_RNA)
where:
Base-Base interactions energy: -1717.399
where: short stacking energy: -696.482
Base-Backbone interact. energy: -2.619
local terms energy: -648.005744
where:
bonds (distance) C4'-P energy: -108.411
bonds (distance) P-C4' energy: -103.990
flat angles C4'-P-C4' energy: -143.079
flat angles P-C4'-P energy: -87.426
tors. eta vs tors. theta energy: -205.101
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: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2224.034981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.034981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.357106 (E_RNA)
where:
Base-Base interactions energy: -1587.375
where: short stacking energy: -641.100
Base-Backbone interact. energy: -0.917
local terms energy: -643.065571
where:
bonds (distance) C4'-P energy: -119.847
bonds (distance) P-C4' energy: -107.522
flat angles C4'-P-C4' energy: -127.540
flat angles P-C4'-P energy: -93.615
tors. eta vs tors. theta energy: -194.542
Dist. restrs. and SS energy: 7.322 (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: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -2134.506370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.506370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.788239 (E_RNA)
where:
Base-Base interactions energy: -1520.203
where: short stacking energy: -631.384
Base-Backbone interact. energy: -1.332
local terms energy: -623.253258
where:
bonds (distance) C4'-P energy: -109.812
bonds (distance) P-C4' energy: -130.528
flat angles C4'-P-C4' energy: -121.561
flat angles P-C4'-P energy: -72.291
tors. eta vs tors. theta energy: -189.061
Dist. restrs. and SS energy: 10.282 (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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1986.254131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.254131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.007847 (E_RNA)
where:
Base-Base interactions energy: -1414.256
where: short stacking energy: -574.121
Base-Backbone interact. energy: -2.506
local terms energy: -599.246349
where:
bonds (distance) C4'-P energy: -111.328
bonds (distance) P-C4' energy: -104.944
flat angles C4'-P-C4' energy: -126.534
flat angles P-C4'-P energy: -80.850
tors. eta vs tors. theta energy: -175.590
Dist. restrs. and SS energy: 29.754 (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: 430
Temperature: 0.900000
Total energy: -2766.191154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.191154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.232954 (E_RNA)
where:
Base-Base interactions energy: -1954.364
where: short stacking energy: -814.966
Base-Backbone interact. energy: -2.780
local terms energy: -815.089101
where:
bonds (distance) C4'-P energy: -147.749
bonds (distance) P-C4' energy: -134.703
flat angles C4'-P-C4' energy: -167.098
flat angles P-C4'-P energy: -109.358
tors. eta vs tors. theta energy: -256.180
Dist. restrs. and SS energy: 6.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2711.815893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.815893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.275397 (E_RNA)
where:
Base-Base interactions energy: -1908.049
where: short stacking energy: -791.344
Base-Backbone interact. energy: -2.118
local terms energy: -806.108630
where:
bonds (distance) C4'-P energy: -131.743
bonds (distance) P-C4' energy: -145.326
flat angles C4'-P-C4' energy: -159.004
flat angles P-C4'-P energy: -122.200
tors. eta vs tors. theta energy: -247.836
Dist. restrs. and SS energy: 4.460 (S_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: 430
Temperature: 1.000000
Total energy: -2657.422019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.422019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.918074 (E_RNA)
where:
Base-Base interactions energy: -1894.595
where: short stacking energy: -777.229
Base-Backbone interact. energy: -1.975
local terms energy: -769.348176
where:
bonds (distance) C4'-P energy: -125.865
bonds (distance) P-C4' energy: -140.018
flat angles C4'-P-C4' energy: -157.843
flat angles P-C4'-P energy: -105.564
tors. eta vs tors. theta energy: -240.058
Dist. restrs. and SS energy: 8.496 (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: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2573.298063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.298063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.798728 (E_RNA)
where:
Base-Base interactions energy: -1842.594
where: short stacking energy: -725.986
Base-Backbone interact. energy: -2.229
local terms energy: -736.976506
where:
bonds (distance) C4'-P energy: -133.697
bonds (distance) P-C4' energy: -117.644
flat angles C4'-P-C4' energy: -156.318
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -226.764
Dist. restrs. and SS energy: 8.501 (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: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2518.253561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.253561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.059937 (E_RNA)
where:
Base-Base interactions energy: -1827.459
where: short stacking energy: -729.757
Base-Backbone interact. energy: 1.200
local terms energy: -700.800731
where:
bonds (distance) C4'-P energy: -112.134
bonds (distance) P-C4' energy: -110.129
flat angles C4'-P-C4' energy: -167.968
flat angles P-C4'-P energy: -87.933
tors. eta vs tors. theta energy: -222.636
Dist. restrs. and SS energy: 8.806 (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: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2452.466385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.466385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.962286 (E_RNA)
where:
Base-Base interactions energy: -1744.734
where: short stacking energy: -742.186
Base-Backbone interact. energy: -1.167
local terms energy: -718.061364
where:
bonds (distance) C4'-P energy: -110.384
bonds (distance) P-C4' energy: -116.425
flat angles C4'-P-C4' energy: -156.323
flat angles P-C4'-P energy: -105.485
tors. eta vs tors. theta energy: -229.444
Dist. restrs. and SS energy: 11.496 (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: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2296.347522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.347522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.563927 (E_RNA)
where:
Base-Base interactions energy: -1641.775
where: short stacking energy: -666.224
Base-Backbone interact. energy: -3.785
local terms energy: -661.004585
where:
bonds (distance) C4'-P energy: -109.426
bonds (distance) P-C4' energy: -125.976
flat angles C4'-P-C4' energy: -138.540
flat angles P-C4'-P energy: -88.157
tors. eta vs tors. theta energy: -198.906
Dist. restrs. and SS energy: 10.216 (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: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2256.264354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.264354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.934454 (E_RNA)
where:
Base-Base interactions energy: -1593.784
where: short stacking energy: -648.688
Base-Backbone interact. energy: -3.806
local terms energy: -665.344192
where:
bonds (distance) C4'-P energy: -115.106
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -132.302
flat angles P-C4'-P energy: -98.712
tors. eta vs tors. theta energy: -202.341
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: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -2175.613836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.613836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.285354 (E_RNA)
where:
Base-Base interactions energy: -1561.634
where: short stacking energy: -635.897
Base-Backbone interact. energy: -1.723
local terms energy: -627.927973
where:
bonds (distance) C4'-P energy: -111.794
bonds (distance) P-C4' energy: -111.408
flat angles C4'-P-C4' energy: -131.349
flat angles P-C4'-P energy: -79.580
tors. eta vs tors. theta energy: -193.797
Dist. restrs. and SS energy: 15.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1971.063859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.063859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.524634 (E_RNA)
where:
Base-Base interactions energy: -1409.489
where: short stacking energy: -568.079
Base-Backbone interact. energy: -2.764
local terms energy: -587.271782
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -122.823
flat angles C4'-P-C4' energy: -126.401
flat angles P-C4'-P energy: -82.520
tors. eta vs tors. theta energy: -168.331
Dist. restrs. and SS energy: 28.461 (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: 431
Temperature: 0.900000
Total energy: -2774.601144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.601144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.039797 (E_RNA)
where:
Base-Base interactions energy: -1951.085
where: short stacking energy: -803.230
Base-Backbone interact. energy: -0.917
local terms energy: -829.037115
where:
bonds (distance) C4'-P energy: -154.345
bonds (distance) P-C4' energy: -135.895
flat angles C4'-P-C4' energy: -165.292
flat angles P-C4'-P energy: -119.546
tors. eta vs tors. theta energy: -253.959
Dist. restrs. and SS energy: 6.439 (S_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: 431
Temperature: 0.950000
Total energy: -2725.782216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.782216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.883859 (E_RNA)
where:
Base-Base interactions energy: -1932.314
where: short stacking energy: -819.521
Base-Backbone interact. energy: 0.349
local terms energy: -796.919113
where:
bonds (distance) C4'-P energy: -125.552
bonds (distance) P-C4' energy: -132.978
flat angles C4'-P-C4' energy: -160.488
flat angles P-C4'-P energy: -119.372
tors. eta vs tors. theta energy: -258.529
Dist. restrs. and SS energy: 3.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2640.871937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.871937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.418048 (E_RNA)
where:
Base-Base interactions energy: -1863.962
where: short stacking energy: -749.853
Base-Backbone interact. energy: -2.925
local terms energy: -783.531430
where:
bonds (distance) C4'-P energy: -128.251
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -158.770
flat angles P-C4'-P energy: -115.953
tors. eta vs tors. theta energy: -243.151
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: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2564.398430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.398430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.497873 (E_RNA)
where:
Base-Base interactions energy: -1776.953
where: short stacking energy: -726.671
Base-Backbone interact. energy: -2.744
local terms energy: -791.800636
where:
bonds (distance) C4'-P energy: -136.721
bonds (distance) P-C4' energy: -143.655
flat angles C4'-P-C4' energy: -162.561
flat angles P-C4'-P energy: -115.899
tors. eta vs tors. theta energy: -232.964
Dist. restrs. and SS energy: 7.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2524.496567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.496567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.133393 (E_RNA)
where:
Base-Base interactions energy: -1821.696
where: short stacking energy: -711.749
Base-Backbone interact. energy: -2.204
local terms energy: -707.233712
where:
bonds (distance) C4'-P energy: -114.070
bonds (distance) P-C4' energy: -122.809
flat angles C4'-P-C4' energy: -149.061
flat angles P-C4'-P energy: -97.175
tors. eta vs tors. theta energy: -224.118
Dist. restrs. and SS energy: 6.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2448.338163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.338163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.984032 (E_RNA)
where:
Base-Base interactions energy: -1730.981
where: short stacking energy: -691.622
Base-Backbone interact. energy: -1.141
local terms energy: -722.861319
where:
bonds (distance) C4'-P energy: -140.894
bonds (distance) P-C4' energy: -129.126
flat angles C4'-P-C4' energy: -140.332
flat angles P-C4'-P energy: -96.237
tors. eta vs tors. theta energy: -216.272
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2342.819794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.819794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.723690 (E_RNA)
where:
Base-Base interactions energy: -1697.666
where: short stacking energy: -683.730
Base-Backbone interact. energy: -3.232
local terms energy: -650.826432
where:
bonds (distance) C4'-P energy: -80.018
bonds (distance) P-C4' energy: -118.261
flat angles C4'-P-C4' energy: -136.206
flat angles P-C4'-P energy: -105.112
tors. eta vs tors. theta energy: -211.229
Dist. restrs. and SS energy: 8.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2240.419205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.419205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.456833 (E_RNA)
where:
Base-Base interactions energy: -1587.325
where: short stacking energy: -657.107
Base-Backbone interact. energy: 2.400
local terms energy: -663.531299
where:
bonds (distance) C4'-P energy: -113.206
bonds (distance) P-C4' energy: -97.384
flat angles C4'-P-C4' energy: -148.328
flat angles P-C4'-P energy: -101.664
tors. eta vs tors. theta energy: -202.950
Dist. restrs. and SS energy: 8.038 (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: 431
Temperature: 1.300000
Total energy: -2167.646240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.646240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.879915 (E_RNA)
where:
Base-Base interactions energy: -1565.744
where: short stacking energy: -606.199
Base-Backbone interact. energy: 2.557
local terms energy: -608.692309
where:
bonds (distance) C4'-P energy: -98.296
bonds (distance) P-C4' energy: -95.004
flat angles C4'-P-C4' energy: -136.090
flat angles P-C4'-P energy: -88.441
tors. eta vs tors. theta energy: -190.861
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: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1973.330065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.330065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.325063 (E_RNA)
where:
Base-Base interactions energy: -1386.123
where: short stacking energy: -558.336
Base-Backbone interact. energy: -0.344
local terms energy: -603.858363
where:
bonds (distance) C4'-P energy: -119.272
bonds (distance) P-C4' energy: -112.726
flat angles C4'-P-C4' energy: -130.653
flat angles P-C4'-P energy: -74.966
tors. eta vs tors. theta energy: -166.241
Dist. restrs. and SS energy: 16.995 (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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2731.965735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.965735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.309526 (E_RNA)
where:
Base-Base interactions energy: -1931.051
where: short stacking energy: -795.469
Base-Backbone interact. energy: -3.725
local terms energy: -803.533406
where:
bonds (distance) C4'-P energy: -140.651
bonds (distance) P-C4' energy: -133.500
flat angles C4'-P-C4' energy: -158.989
flat angles P-C4'-P energy: -121.330
tors. eta vs tors. theta energy: -249.064
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: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2694.972171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.972171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.871836 (E_RNA)
where:
Base-Base interactions energy: -1889.960
where: short stacking energy: -766.651
Base-Backbone interact. energy: -1.280
local terms energy: -807.631984
where:
bonds (distance) C4'-P energy: -149.074
bonds (distance) P-C4' energy: -140.519
flat angles C4'-P-C4' energy: -158.115
flat angles P-C4'-P energy: -113.273
tors. eta vs tors. theta energy: -246.651
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: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2650.667686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.667686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.390130 (E_RNA)
where:
Base-Base interactions energy: -1906.085
where: short stacking energy: -785.491
Base-Backbone interact. energy: -1.383
local terms energy: -749.921700
where:
bonds (distance) C4'-P energy: -122.171
bonds (distance) P-C4' energy: -133.404
flat angles C4'-P-C4' energy: -154.174
flat angles P-C4'-P energy: -101.539
tors. eta vs tors. theta energy: -238.634
Dist. restrs. and SS energy: 6.722 (S_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: 432
Temperature: 1.050000
Total energy: -2549.664684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.664684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.368084 (E_RNA)
where:
Base-Base interactions energy: -1813.082
where: short stacking energy: -729.897
Base-Backbone interact. energy: -2.546
local terms energy: -742.739748
where:
bonds (distance) C4'-P energy: -132.585
bonds (distance) P-C4' energy: -120.268
flat angles C4'-P-C4' energy: -150.439
flat angles P-C4'-P energy: -113.121
tors. eta vs tors. theta energy: -226.327
Dist. restrs. and SS energy: 8.703 (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: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2522.626048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.626048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.798894 (E_RNA)
where:
Base-Base interactions energy: -1812.985
where: short stacking energy: -717.045
Base-Backbone interact. energy: -3.960
local terms energy: -715.853839
where:
bonds (distance) C4'-P energy: -121.884
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -151.299
flat angles P-C4'-P energy: -109.133
tors. eta vs tors. theta energy: -216.558
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: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2410.671594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.671594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.100012 (E_RNA)
where:
Base-Base interactions energy: -1728.183
where: short stacking energy: -690.978
Base-Backbone interact. energy: -1.324
local terms energy: -689.593220
where:
bonds (distance) C4'-P energy: -116.010
bonds (distance) P-C4' energy: -122.621
flat angles C4'-P-C4' energy: -142.125
flat angles P-C4'-P energy: -97.362
tors. eta vs tors. theta energy: -211.476
Dist. restrs. and SS energy: 8.428 (S_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: 432
Temperature: 1.200000
Total energy: -2347.190938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.190938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.769394 (E_RNA)
where:
Base-Base interactions energy: -1658.321
where: short stacking energy: -650.087
Base-Backbone interact. energy: -4.660
local terms energy: -692.788525
where:
bonds (distance) C4'-P energy: -118.149
bonds (distance) P-C4' energy: -117.012
flat angles C4'-P-C4' energy: -144.847
flat angles P-C4'-P energy: -107.737
tors. eta vs tors. theta energy: -205.044
Dist. restrs. and SS energy: 8.578 (S_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: 432
Temperature: 1.250000
Total energy: -2218.883046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.883046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.707251 (E_RNA)
where:
Base-Base interactions energy: -1595.049
where: short stacking energy: -661.205
Base-Backbone interact. energy: -3.771
local terms energy: -634.886812
where:
bonds (distance) C4'-P energy: -117.061
bonds (distance) P-C4' energy: -121.384
flat angles C4'-P-C4' energy: -131.723
flat angles P-C4'-P energy: -76.215
tors. eta vs tors. theta energy: -188.504
Dist. restrs. and SS energy: 14.824 (S_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: 432
Temperature: 1.300000
Total energy: -2171.259032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.259032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.338213 (E_RNA)
where:
Base-Base interactions energy: -1551.060
where: short stacking energy: -634.088
Base-Backbone interact. energy: 0.437
local terms energy: -636.714728
where:
bonds (distance) C4'-P energy: -116.722
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -124.948
flat angles P-C4'-P energy: -92.579
tors. eta vs tors. theta energy: -197.907
Dist. restrs. and SS energy: 16.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -2009.088463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.088463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.981430 (E_RNA)
where:
Base-Base interactions energy: -1447.238
where: short stacking energy: -587.869
Base-Backbone interact. energy: -0.760
local terms energy: -587.983876
where:
bonds (distance) C4'-P energy: -111.610
bonds (distance) P-C4' energy: -92.579
flat angles C4'-P-C4' energy: -121.676
flat angles P-C4'-P energy: -93.016
tors. eta vs tors. theta energy: -169.103
Dist. restrs. and SS energy: 26.893 (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: 433
Temperature: 0.900000
Total energy: -2719.720389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.720389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.313387 (E_RNA)
where:
Base-Base interactions energy: -1954.414
where: short stacking energy: -811.424
Base-Backbone interact. energy: -1.386
local terms energy: -770.513836
where:
bonds (distance) C4'-P energy: -129.031
bonds (distance) P-C4' energy: -121.772
flat angles C4'-P-C4' energy: -153.783
flat angles P-C4'-P energy: -114.370
tors. eta vs tors. theta energy: -251.558
Dist. restrs. and SS energy: 6.593 (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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2708.344846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.344846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.960893 (E_RNA)
where:
Base-Base interactions energy: -1922.433
where: short stacking energy: -798.750
Base-Backbone interact. energy: -0.722
local terms energy: -790.805188
where:
bonds (distance) C4'-P energy: -133.474
bonds (distance) P-C4' energy: -145.353
flat angles C4'-P-C4' energy: -160.832
flat angles P-C4'-P energy: -108.245
tors. eta vs tors. theta energy: -242.900
Dist. restrs. and SS energy: 5.616 (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: 433
Temperature: 1.000000
Total energy: -2681.088271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.088271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.665455 (E_RNA)
where:
Base-Base interactions energy: -1907.678
where: short stacking energy: -789.025
Base-Backbone interact. energy: -0.306
local terms energy: -781.681175
where:
bonds (distance) C4'-P energy: -123.944
bonds (distance) P-C4' energy: -131.632
flat angles C4'-P-C4' energy: -167.235
flat angles P-C4'-P energy: -111.665
tors. eta vs tors. theta energy: -247.205
Dist. restrs. and SS energy: 8.577 (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: 433
Temperature: 1.050000
Total energy: -2624.712446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.712446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.770865 (E_RNA)
where:
Base-Base interactions energy: -1868.197
where: short stacking energy: -765.255
Base-Backbone interact. energy: 1.612
local terms energy: -766.185471
where:
bonds (distance) C4'-P energy: -130.945
bonds (distance) P-C4' energy: -142.041
flat angles C4'-P-C4' energy: -159.151
flat angles P-C4'-P energy: -96.755
tors. eta vs tors. theta energy: -237.294
Dist. restrs. and SS energy: 8.058 (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: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2518.654528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.654528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.300509 (E_RNA)
where:
Base-Base interactions energy: -1803.176
where: short stacking energy: -729.491
Base-Backbone interact. energy: -2.825
local terms energy: -722.298906
where:
bonds (distance) C4'-P energy: -129.855
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -157.544
flat angles P-C4'-P energy: -96.827
tors. eta vs tors. theta energy: -224.427
Dist. restrs. and SS energy: 9.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2428.832787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.832787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.300602 (E_RNA)
where:
Base-Base interactions energy: -1746.589
where: short stacking energy: -707.844
Base-Backbone interact. energy: -0.938
local terms energy: -691.774347
where:
bonds (distance) C4'-P energy: -99.824
bonds (distance) P-C4' energy: -138.676
flat angles C4'-P-C4' energy: -143.151
flat angles P-C4'-P energy: -92.046
tors. eta vs tors. theta energy: -218.077
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2303.400280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.400280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.463515 (E_RNA)
where:
Base-Base interactions energy: -1656.346
where: short stacking energy: -665.972
Base-Backbone interact. energy: -2.094
local terms energy: -649.024229
where:
bonds (distance) C4'-P energy: -108.064
bonds (distance) P-C4' energy: -104.491
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -93.191
tors. eta vs tors. theta energy: -204.015
Dist. restrs. and SS energy: 4.063 (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: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2288.312438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.312438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.684211 (E_RNA)
where:
Base-Base interactions energy: -1620.011
where: short stacking energy: -670.962
Base-Backbone interact. energy: -2.390
local terms energy: -671.283193
where:
bonds (distance) C4'-P energy: -122.658
bonds (distance) P-C4' energy: -124.766
flat angles C4'-P-C4' energy: -143.423
flat angles P-C4'-P energy: -78.258
tors. eta vs tors. theta energy: -202.178
Dist. restrs. and SS energy: 5.372 (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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2203.452961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.452961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.727723 (E_RNA)
where:
Base-Base interactions energy: -1578.050
where: short stacking energy: -643.399
Base-Backbone interact. energy: 2.481
local terms energy: -635.157962
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -136.337
flat angles P-C4'-P energy: -73.680
tors. eta vs tors. theta energy: -203.124
Dist. restrs. and SS energy: 7.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1997.982527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.982527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.460308 (E_RNA)
where:
Base-Base interactions energy: -1410.024
where: short stacking energy: -576.217
Base-Backbone interact. energy: -2.532
local terms energy: -598.904042
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -102.883
flat angles C4'-P-C4' energy: -133.061
flat angles P-C4'-P energy: -89.804
tors. eta vs tors. theta energy: -162.087
Dist. restrs. and SS energy: 13.478 (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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2734.983803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.983803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.066358 (E_RNA)
where:
Base-Base interactions energy: -1916.889
where: short stacking energy: -789.211
Base-Backbone interact. energy: -2.270
local terms energy: -820.907559
where:
bonds (distance) C4'-P energy: -155.376
bonds (distance) P-C4' energy: -148.166
flat angles C4'-P-C4' energy: -163.237
flat angles P-C4'-P energy: -103.271
tors. eta vs tors. theta energy: -250.857
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: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2698.950765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.608757 (E_RNA)
where:
Base-Base interactions energy: -1913.726
where: short stacking energy: -793.847
Base-Backbone interact. energy: -1.602
local terms energy: -790.281084
where:
bonds (distance) C4'-P energy: -108.624
bonds (distance) P-C4' energy: -139.340
flat angles C4'-P-C4' energy: -160.634
flat angles P-C4'-P energy: -127.205
tors. eta vs tors. theta energy: -254.479
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2628.247578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.247578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.966940 (E_RNA)
where:
Base-Base interactions energy: -1904.223
where: short stacking energy: -772.851
Base-Backbone interact. energy: 3.459
local terms energy: -738.202817
where:
bonds (distance) C4'-P energy: -125.201
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -161.223
flat angles P-C4'-P energy: -92.856
tors. eta vs tors. theta energy: -243.299
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: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2629.544258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.544258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.407267 (E_RNA)
where:
Base-Base interactions energy: -1870.130
where: short stacking energy: -781.504
Base-Backbone interact. energy: -0.972
local terms energy: -767.305578
where:
bonds (distance) C4'-P energy: -134.554
bonds (distance) P-C4' energy: -128.725
flat angles C4'-P-C4' energy: -155.491
flat angles P-C4'-P energy: -108.318
tors. eta vs tors. theta energy: -240.218
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: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2569.066855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.066855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.458799 (E_RNA)
where:
Base-Base interactions energy: -1830.164
where: short stacking energy: -725.682
Base-Backbone interact. energy: -2.458
local terms energy: -744.836948
where:
bonds (distance) C4'-P energy: -130.193
bonds (distance) P-C4' energy: -135.337
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -93.981
tors. eta vs tors. theta energy: -232.183
Dist. restrs. and SS energy: 8.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2451.319800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.319800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.604406 (E_RNA)
where:
Base-Base interactions energy: -1747.389
where: short stacking energy: -714.361
Base-Backbone interact. energy: -1.770
local terms energy: -711.445678
where:
bonds (distance) C4'-P energy: -109.420
bonds (distance) P-C4' energy: -117.335
flat angles C4'-P-C4' energy: -156.259
flat angles P-C4'-P energy: -97.615
tors. eta vs tors. theta energy: -230.816
Dist. restrs. and SS energy: 9.285 (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: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2322.861594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.861594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.374898 (E_RNA)
where:
Base-Base interactions energy: -1635.592
where: short stacking energy: -635.200
Base-Backbone interact. energy: -3.027
local terms energy: -687.756124
where:
bonds (distance) C4'-P energy: -112.852
bonds (distance) P-C4' energy: -122.538
flat angles C4'-P-C4' energy: -155.719
flat angles P-C4'-P energy: -91.472
tors. eta vs tors. theta energy: -205.175
Dist. restrs. and SS energy: 3.513 (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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2268.723894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.723894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.430204 (E_RNA)
where:
Base-Base interactions energy: -1619.433
where: short stacking energy: -650.611
Base-Backbone interact. energy: -4.596
local terms energy: -654.401905
where:
bonds (distance) C4'-P energy: -116.165
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -145.828
flat angles P-C4'-P energy: -85.672
tors. eta vs tors. theta energy: -190.676
Dist. restrs. and SS energy: 9.706 (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: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2166.828090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.828090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.374882 (E_RNA)
where:
Base-Base interactions energy: -1548.153
where: short stacking energy: -604.610
Base-Backbone interact. energy: -0.610
local terms energy: -625.611715
where:
bonds (distance) C4'-P energy: -102.535
bonds (distance) P-C4' energy: -110.997
flat angles C4'-P-C4' energy: -137.571
flat angles P-C4'-P energy: -83.611
tors. eta vs tors. theta energy: -190.898
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1994.966689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.966689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.188112 (E_RNA)
where:
Base-Base interactions energy: -1423.646
where: short stacking energy: -567.649
Base-Backbone interact. energy: -0.911
local terms energy: -585.631965
where:
bonds (distance) C4'-P energy: -106.362
bonds (distance) P-C4' energy: -93.348
flat angles C4'-P-C4' energy: -132.570
flat angles P-C4'-P energy: -86.842
tors. eta vs tors. theta energy: -166.511
Dist. restrs. and SS energy: 15.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2773.886383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.886383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.307466 (E_RNA)
where:
Base-Base interactions energy: -1950.880
where: short stacking energy: -790.270
Base-Backbone interact. energy: -2.155
local terms energy: -828.271941
where:
bonds (distance) C4'-P energy: -145.341
bonds (distance) P-C4' energy: -151.699
flat angles C4'-P-C4' energy: -169.653
flat angles P-C4'-P energy: -117.407
tors. eta vs tors. theta energy: -244.172
Dist. restrs. and SS energy: 7.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2709.537330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.537330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.050794 (E_RNA)
where:
Base-Base interactions energy: -1927.089
where: short stacking energy: -796.181
Base-Backbone interact. energy: -1.419
local terms energy: -789.543009
where:
bonds (distance) C4'-P energy: -132.500
bonds (distance) P-C4' energy: -137.042
flat angles C4'-P-C4' energy: -157.355
flat angles P-C4'-P energy: -111.828
tors. eta vs tors. theta energy: -250.818
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: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2642.525007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.525007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.670644 (E_RNA)
where:
Base-Base interactions energy: -1882.303
where: short stacking energy: -778.643
Base-Backbone interact. energy: 1.101
local terms energy: -770.468452
where:
bonds (distance) C4'-P energy: -119.873
bonds (distance) P-C4' energy: -128.758
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -115.509
tors. eta vs tors. theta energy: -244.238
Dist. restrs. and SS energy: 9.146 (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: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2598.114115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.114115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.640429 (E_RNA)
where:
Base-Base interactions energy: -1860.965
where: short stacking energy: -768.490
Base-Backbone interact. energy: -1.848
local terms energy: -742.827100
where:
bonds (distance) C4'-P energy: -121.808
bonds (distance) P-C4' energy: -122.772
flat angles C4'-P-C4' energy: -168.130
flat angles P-C4'-P energy: -93.604
tors. eta vs tors. theta energy: -236.513
Dist. restrs. and SS energy: 7.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2523.437849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.437849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.046711 (E_RNA)
where:
Base-Base interactions energy: -1818.961
where: short stacking energy: -727.398
Base-Backbone interact. energy: 0.891
local terms energy: -710.976170
where:
bonds (distance) C4'-P energy: -126.359
bonds (distance) P-C4' energy: -123.933
flat angles C4'-P-C4' energy: -147.963
flat angles P-C4'-P energy: -89.334
tors. eta vs tors. theta energy: -223.388
Dist. restrs. and SS energy: 5.609 (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: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2431.226729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.226729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.016472 (E_RNA)
where:
Base-Base interactions energy: -1777.913
where: short stacking energy: -711.453
Base-Backbone interact. energy: 1.420
local terms energy: -661.523351
where:
bonds (distance) C4'-P energy: -118.986
bonds (distance) P-C4' energy: -126.614
flat angles C4'-P-C4' energy: -140.813
flat angles P-C4'-P energy: -69.426
tors. eta vs tors. theta energy: -205.685
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: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2330.350564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.350564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.816021 (E_RNA)
where:
Base-Base interactions energy: -1635.454
where: short stacking energy: -618.136
Base-Backbone interact. energy: -0.859
local terms energy: -697.503079
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -131.042
flat angles C4'-P-C4' energy: -155.938
flat angles P-C4'-P energy: -91.289
tors. eta vs tors. theta energy: -197.467
Dist. restrs. and SS energy: 3.465 (S_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: 435
Temperature: 1.250000
Total energy: -2224.089270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.089270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.797073 (E_RNA)
where:
Base-Base interactions energy: -1600.965
where: short stacking energy: -641.446
Base-Backbone interact. energy: 0.662
local terms energy: -634.494212
where:
bonds (distance) C4'-P energy: -125.084
bonds (distance) P-C4' energy: -88.686
flat angles C4'-P-C4' energy: -145.215
flat angles P-C4'-P energy: -80.588
tors. eta vs tors. theta energy: -194.921
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: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -2149.909229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.705086 (E_RNA)
where:
Base-Base interactions energy: -1562.515
where: short stacking energy: -624.289
Base-Backbone interact. energy: 0.717
local terms energy: -593.906624
where:
bonds (distance) C4'-P energy: -88.284
bonds (distance) P-C4' energy: -99.714
flat angles C4'-P-C4' energy: -124.856
flat angles P-C4'-P energy: -93.478
tors. eta vs tors. theta energy: -187.575
Dist. restrs. and SS energy: 5.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -2026.795962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.795962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.530361 (E_RNA)
where:
Base-Base interactions energy: -1443.319
where: short stacking energy: -567.404
Base-Backbone interact. energy: 2.619
local terms energy: -602.830149
where:
bonds (distance) C4'-P energy: -102.772
bonds (distance) P-C4' energy: -108.176
flat angles C4'-P-C4' energy: -131.560
flat angles P-C4'-P energy: -89.243
tors. eta vs tors. theta energy: -171.079
Dist. restrs. and SS energy: 16.734 (S_DIST_RNA)
chem. 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: -2770.891683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.891683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.784824 (E_RNA)
where:
Base-Base interactions energy: -1983.727
where: short stacking energy: -801.941
Base-Backbone interact. energy: 1.535
local terms energy: -797.592928
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -133.580
flat angles C4'-P-C4' energy: -161.932
flat angles P-C4'-P energy: -117.065
tors. eta vs tors. theta energy: -250.504
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2693.753896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.753896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.335094 (E_RNA)
where:
Base-Base interactions energy: -1898.974
where: short stacking energy: -795.601
Base-Backbone interact. energy: -2.124
local terms energy: -798.236916
where:
bonds (distance) C4'-P energy: -141.153
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -161.858
flat angles P-C4'-P energy: -110.869
tors. eta vs tors. theta energy: -244.761
Dist. restrs. and SS energy: 5.581 (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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2627.567345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.567345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.443015 (E_RNA)
where:
Base-Base interactions energy: -1883.002
where: short stacking energy: -768.928
Base-Backbone interact. energy: -0.425
local terms energy: -751.016528
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -127.402
flat angles C4'-P-C4' energy: -163.258
flat angles P-C4'-P energy: -104.797
tors. eta vs tors. theta energy: -228.547
Dist. restrs. and SS energy: 6.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2600.449479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.449479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.536089 (E_RNA)
where:
Base-Base interactions energy: -1840.930
where: short stacking energy: -765.218
Base-Backbone interact. energy: -0.632
local terms energy: -766.974436
where:
bonds (distance) C4'-P energy: -129.810
bonds (distance) P-C4' energy: -134.219
flat angles C4'-P-C4' energy: -150.592
flat angles P-C4'-P energy: -111.671
tors. eta vs tors. theta energy: -240.683
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2532.324700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.324700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.074578 (E_RNA)
where:
Base-Base interactions energy: -1812.745
where: short stacking energy: -700.110
Base-Backbone interact. energy: -2.111
local terms energy: -724.218301
where:
bonds (distance) C4'-P energy: -125.248
bonds (distance) P-C4' energy: -128.100
flat angles C4'-P-C4' energy: -144.500
flat angles P-C4'-P energy: -108.320
tors. eta vs tors. theta energy: -218.051
Dist. restrs. and SS energy: 6.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2455.848137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.848137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.696042 (E_RNA)
where:
Base-Base interactions energy: -1745.635
where: short stacking energy: -678.839
Base-Backbone interact. energy: -1.500
local terms energy: -716.561167
where:
bonds (distance) C4'-P energy: -127.054
bonds (distance) P-C4' energy: -124.791
flat angles C4'-P-C4' energy: -141.169
flat angles P-C4'-P energy: -104.026
tors. eta vs tors. theta energy: -219.521
Dist. restrs. and SS energy: 7.848 (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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2348.998403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.998403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.412741 (E_RNA)
where:
Base-Base interactions energy: -1659.271
where: short stacking energy: -671.325
Base-Backbone interact. energy: -1.831
local terms energy: -693.310560
where:
bonds (distance) C4'-P energy: -117.585
bonds (distance) P-C4' energy: -124.521
flat angles C4'-P-C4' energy: -148.320
flat angles P-C4'-P energy: -101.734
tors. eta vs tors. theta energy: -201.151
Dist. restrs. and SS energy: 5.414 (S_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: 436
Temperature: 1.250000
Total energy: -2230.499144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.499144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.961324 (E_RNA)
where:
Base-Base interactions energy: -1612.071
where: short stacking energy: -654.055
Base-Backbone interact. energy: -0.296
local terms energy: -625.593796
where:
bonds (distance) C4'-P energy: -118.452
bonds (distance) P-C4' energy: -102.514
flat angles C4'-P-C4' energy: -125.053
flat angles P-C4'-P energy: -78.937
tors. eta vs tors. theta energy: -200.638
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -2190.453057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.453057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.573431 (E_RNA)
where:
Base-Base interactions energy: -1583.318
where: short stacking energy: -642.732
Base-Backbone interact. energy: -3.544
local terms energy: -615.710868
where:
bonds (distance) C4'-P energy: -100.858
bonds (distance) P-C4' energy: -103.364
flat angles C4'-P-C4' energy: -128.054
flat angles P-C4'-P energy: -91.182
tors. eta vs tors. theta energy: -192.255
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -2017.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.235919 (E_RNA)
where:
Base-Base interactions energy: -1440.513
where: short stacking energy: -579.362
Base-Backbone interact. energy: -0.783
local terms energy: -589.939839
where:
bonds (distance) C4'-P energy: -115.529
bonds (distance) P-C4' energy: -108.179
flat angles C4'-P-C4' energy: -127.595
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -180.075
Dist. restrs. and SS energy: 13.261 (S_DIST_RNA)
chem. 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: -2778.754429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.754429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.014221 (E_RNA)
where:
Base-Base interactions energy: -1973.721
where: short stacking energy: -819.125
Base-Backbone interact. energy: -0.993
local terms energy: -809.300386
where:
bonds (distance) C4'-P energy: -131.574
bonds (distance) P-C4' energy: -130.157
flat angles C4'-P-C4' energy: -182.305
flat angles P-C4'-P energy: -110.237
tors. eta vs tors. theta energy: -255.029
Dist. restrs. and SS energy: 5.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2733.050785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.050785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.213686 (E_RNA)
where:
Base-Base interactions energy: -1952.425
where: short stacking energy: -821.879
Base-Backbone interact. energy: -0.911
local terms energy: -784.877977
where:
bonds (distance) C4'-P energy: -126.000
bonds (distance) P-C4' energy: -135.176
flat angles C4'-P-C4' energy: -155.989
flat angles P-C4'-P energy: -111.462
tors. eta vs tors. theta energy: -256.251
Dist. restrs. and SS energy: 5.163 (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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2608.629510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.629510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.058729 (E_RNA)
where:
Base-Base interactions energy: -1858.653
where: short stacking energy: -752.153
Base-Backbone interact. energy: 0.731
local terms energy: -759.136777
where:
bonds (distance) C4'-P energy: -125.722
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -154.064
flat angles P-C4'-P energy: -111.094
tors. eta vs tors. theta energy: -232.765
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: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2577.260767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.260767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.925832 (E_RNA)
where:
Base-Base interactions energy: -1844.384
where: short stacking energy: -743.082
Base-Backbone interact. energy: -1.731
local terms energy: -736.810856
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -139.145
flat angles C4'-P-C4' energy: -155.178
flat angles P-C4'-P energy: -84.588
tors. eta vs tors. theta energy: -229.651
Dist. restrs. and SS energy: 5.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2538.444052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.444052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.068273 (E_RNA)
where:
Base-Base interactions energy: -1824.056
where: short stacking energy: -742.426
Base-Backbone interact. energy: -4.174
local terms energy: -716.839148
where:
bonds (distance) C4'-P energy: -110.440
bonds (distance) P-C4' energy: -127.257
flat angles C4'-P-C4' energy: -149.794
flat angles P-C4'-P energy: -104.136
tors. eta vs tors. theta energy: -225.212
Dist. restrs. and SS energy: 6.624 (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: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2457.762109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.762109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.030685 (E_RNA)
where:
Base-Base interactions energy: -1805.605
where: short stacking energy: -736.299
Base-Backbone interact. energy: -0.582
local terms energy: -659.843681
where:
bonds (distance) C4'-P energy: -108.826
bonds (distance) P-C4' energy: -96.396
flat angles C4'-P-C4' energy: -152.698
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -215.411
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: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2353.276463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.276463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.482724 (E_RNA)
where:
Base-Base interactions energy: -1671.891
where: short stacking energy: -657.969
Base-Backbone interact. energy: 0.438
local terms energy: -688.030370
where:
bonds (distance) C4'-P energy: -102.213
bonds (distance) P-C4' energy: -130.087
flat angles C4'-P-C4' energy: -142.973
flat angles P-C4'-P energy: -104.669
tors. eta vs tors. theta energy: -208.088
Dist. restrs. and SS energy: 6.206 (S_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: -2251.229708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.229708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.395911 (E_RNA)
where:
Base-Base interactions energy: -1602.537
where: short stacking energy: -637.965
Base-Backbone interact. energy: -3.756
local terms energy: -654.102520
where:
bonds (distance) C4'-P energy: -120.131
bonds (distance) P-C4' energy: -94.334
flat angles C4'-P-C4' energy: -134.145
flat angles P-C4'-P energy: -102.522
tors. eta vs tors. theta energy: -202.971
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: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -2230.919451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.919451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.787759 (E_RNA)
where:
Base-Base interactions energy: -1595.728
where: short stacking energy: -643.175
Base-Backbone interact. energy: -1.738
local terms energy: -643.322010
where:
bonds (distance) C4'-P energy: -92.864
bonds (distance) P-C4' energy: -124.944
flat angles C4'-P-C4' energy: -137.798
flat angles P-C4'-P energy: -85.459
tors. eta vs tors. theta energy: -202.258
Dist. restrs. and SS energy: 9.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1989.023951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.023951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.074597 (E_RNA)
where:
Base-Base interactions energy: -1420.182
where: short stacking energy: -545.523
Base-Backbone interact. energy: 0.818
local terms energy: -590.710850
where:
bonds (distance) C4'-P energy: -95.499
bonds (distance) P-C4' energy: -115.549
flat angles C4'-P-C4' energy: -142.196
flat angles P-C4'-P energy: -77.394
tors. eta vs tors. theta energy: -160.074
Dist. restrs. and SS energy: 21.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2763.902526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.902526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.323891 (E_RNA)
where:
Base-Base interactions energy: -1964.490
where: short stacking energy: -809.148
Base-Backbone interact. energy: -3.182
local terms energy: -802.652321
where:
bonds (distance) C4'-P energy: -141.299
bonds (distance) P-C4' energy: -134.762
flat angles C4'-P-C4' energy: -160.206
flat angles P-C4'-P energy: -115.950
tors. eta vs tors. theta energy: -250.435
Dist. restrs. and SS energy: 6.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2718.561472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.561472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.029703 (E_RNA)
where:
Base-Base interactions energy: -1940.177
where: short stacking energy: -807.646
Base-Backbone interact. energy: -1.044
local terms energy: -782.808563
where:
bonds (distance) C4'-P energy: -131.710
bonds (distance) P-C4' energy: -131.575
flat angles C4'-P-C4' energy: -162.672
flat angles P-C4'-P energy: -103.267
tors. eta vs tors. theta energy: -253.584
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2659.361351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.361351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.521136 (E_RNA)
where:
Base-Base interactions energy: -1893.587
where: short stacking energy: -780.582
Base-Backbone interact. energy: 2.660
local terms energy: -778.594269
where:
bonds (distance) C4'-P energy: -130.446
bonds (distance) P-C4' energy: -130.334
flat angles C4'-P-C4' energy: -154.258
flat angles P-C4'-P energy: -121.752
tors. eta vs tors. theta energy: -241.804
Dist. restrs. and SS energy: 10.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2618.140761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.140761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.100536 (E_RNA)
where:
Base-Base interactions energy: -1880.400
where: short stacking energy: -775.621
Base-Backbone interact. energy: -1.690
local terms energy: -744.010503
where:
bonds (distance) C4'-P energy: -126.536
bonds (distance) P-C4' energy: -121.328
flat angles C4'-P-C4' energy: -145.019
flat angles P-C4'-P energy: -104.294
tors. eta vs tors. theta energy: -246.833
Dist. restrs. and SS energy: 7.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2538.238314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.238314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.674870 (E_RNA)
where:
Base-Base interactions energy: -1786.896
where: short stacking energy: -680.971
Base-Backbone interact. energy: -3.227
local terms energy: -753.551174
where:
bonds (distance) C4'-P energy: -137.216
bonds (distance) P-C4' energy: -133.629
flat angles C4'-P-C4' energy: -166.392
flat angles P-C4'-P energy: -94.327
tors. eta vs tors. theta energy: -221.986
Dist. restrs. and SS energy: 5.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2438.108555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.108555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.876429 (E_RNA)
where:
Base-Base interactions energy: -1735.526
where: short stacking energy: -654.349
Base-Backbone interact. energy: -3.721
local terms energy: -706.628933
where:
bonds (distance) C4'-P energy: -108.361
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -152.848
flat angles P-C4'-P energy: -110.091
tors. eta vs tors. theta energy: -217.109
Dist. restrs. and SS energy: 7.768 (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: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2328.572584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.572584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.802709 (E_RNA)
where:
Base-Base interactions energy: -1657.330
where: short stacking energy: -668.247
Base-Backbone interact. energy: -0.120
local terms energy: -677.352721
where:
bonds (distance) C4'-P energy: -113.296
bonds (distance) P-C4' energy: -107.909
flat angles C4'-P-C4' energy: -143.307
flat angles P-C4'-P energy: -105.372
tors. eta vs tors. theta energy: -207.468
Dist. restrs. and SS energy: 6.230 (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: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2221.845636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.845636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.094172 (E_RNA)
where:
Base-Base interactions energy: -1592.648
where: short stacking energy: -627.860
Base-Backbone interact. energy: -1.785
local terms energy: -638.660423
where:
bonds (distance) C4'-P energy: -125.406
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -125.938
flat angles P-C4'-P energy: -91.674
tors. eta vs tors. theta energy: -187.245
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: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -2132.938958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.938958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.878120 (E_RNA)
where:
Base-Base interactions energy: -1532.760
where: short stacking energy: -593.104
Base-Backbone interact. energy: 0.064
local terms energy: -607.182584
where:
bonds (distance) C4'-P energy: -106.823
bonds (distance) P-C4' energy: -105.632
flat angles C4'-P-C4' energy: -127.143
flat angles P-C4'-P energy: -80.120
tors. eta vs tors. theta energy: -187.465
Dist. restrs. and SS energy: 6.939 (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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1983.841635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.841635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.992679 (E_RNA)
where:
Base-Base interactions energy: -1412.372
where: short stacking energy: -556.048
Base-Backbone interact. energy: 5.330
local terms energy: -599.950397
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -112.628
flat angles C4'-P-C4' energy: -132.318
flat angles P-C4'-P energy: -94.149
tors. eta vs tors. theta energy: -162.658
Dist. restrs. and SS energy: 23.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2776.753092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.753092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.628522 (E_RNA)
where:
Base-Base interactions energy: -1952.816
where: short stacking energy: -798.440
Base-Backbone interact. energy: -3.335
local terms energy: -826.477671
where:
bonds (distance) C4'-P energy: -139.746
bonds (distance) P-C4' energy: -135.679
flat angles C4'-P-C4' energy: -175.671
flat angles P-C4'-P energy: -123.008
tors. eta vs tors. theta energy: -252.373
Dist. restrs. and SS energy: 5.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2720.780322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.780322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.050475 (E_RNA)
where:
Base-Base interactions energy: -1908.752
where: short stacking energy: -783.987
Base-Backbone interact. energy: 1.494
local terms energy: -818.792897
where:
bonds (distance) C4'-P energy: -136.025
bonds (distance) P-C4' energy: -131.078
flat angles C4'-P-C4' energy: -174.467
flat angles P-C4'-P energy: -124.553
tors. eta vs tors. theta energy: -252.670
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: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2645.035075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.035075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.175679 (E_RNA)
where:
Base-Base interactions energy: -1859.444
where: short stacking energy: -767.681
Base-Backbone interact. energy: -0.241
local terms energy: -791.491523
where:
bonds (distance) C4'-P energy: -130.689
bonds (distance) P-C4' energy: -154.080
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -109.946
tors. eta vs tors. theta energy: -234.442
Dist. restrs. and SS energy: 6.141 (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: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2581.077261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.077261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.498165 (E_RNA)
where:
Base-Base interactions energy: -1823.503
where: short stacking energy: -738.437
Base-Backbone interact. energy: -0.476
local terms energy: -762.519696
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -143.274
flat angles C4'-P-C4' energy: -154.457
flat angles P-C4'-P energy: -107.664
tors. eta vs tors. theta energy: -232.336
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2516.324691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.324691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.547815 (E_RNA)
where:
Base-Base interactions energy: -1787.507
where: short stacking energy: -718.676
Base-Backbone interact. energy: -3.527
local terms energy: -732.513759
where:
bonds (distance) C4'-P energy: -116.816
bonds (distance) P-C4' energy: -133.319
flat angles C4'-P-C4' energy: -158.686
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -226.144
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: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2437.793918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.793918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.557032 (E_RNA)
where:
Base-Base interactions energy: -1743.358
where: short stacking energy: -691.111
Base-Backbone interact. energy: 2.021
local terms energy: -705.219753
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -131.023
flat angles C4'-P-C4' energy: -152.704
flat angles P-C4'-P energy: -107.560
tors. eta vs tors. theta energy: -217.438
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: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2339.248676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.248676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.752547 (E_RNA)
where:
Base-Base interactions energy: -1666.874
where: short stacking energy: -674.958
Base-Backbone interact. energy: -2.738
local terms energy: -676.140657
where:
bonds (distance) C4'-P energy: -114.011
bonds (distance) P-C4' energy: -122.777
flat angles C4'-P-C4' energy: -161.639
flat angles P-C4'-P energy: -74.156
tors. eta vs tors. theta energy: -203.558
Dist. restrs. and SS energy: 6.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2245.128201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.055331 (E_RNA)
where:
Base-Base interactions energy: -1588.671
where: short stacking energy: -637.182
Base-Backbone interact. energy: -4.168
local terms energy: -662.216670
where:
bonds (distance) C4'-P energy: -123.286
bonds (distance) P-C4' energy: -105.513
flat angles C4'-P-C4' energy: -137.353
flat angles P-C4'-P energy: -102.438
tors. eta vs tors. theta energy: -193.627
Dist. restrs. and SS energy: 9.927 (S_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: -2117.794660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.794660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.090895 (E_RNA)
where:
Base-Base interactions energy: -1518.017
where: short stacking energy: -611.657
Base-Backbone interact. energy: 4.666
local terms energy: -618.740056
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -89.475
flat angles C4'-P-C4' energy: -140.347
flat angles P-C4'-P energy: -86.403
tors. eta vs tors. theta energy: -189.786
Dist. restrs. and SS energy: 14.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1988.771565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.771565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.167705 (E_RNA)
where:
Base-Base interactions energy: -1413.908
where: short stacking energy: -569.241
Base-Backbone interact. energy: -3.866
local terms energy: -594.393980
where:
bonds (distance) C4'-P energy: -102.997
bonds (distance) P-C4' energy: -118.113
flat angles C4'-P-C4' energy: -116.164
flat angles P-C4'-P energy: -84.002
tors. eta vs tors. theta energy: -173.118
Dist. restrs. and SS energy: 23.396 (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: 440
Temperature: 0.900000
Total energy: -2757.600262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.600262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.844825 (E_RNA)
where:
Base-Base interactions energy: -1968.007
where: short stacking energy: -819.191
Base-Backbone interact. energy: -0.211
local terms energy: -794.626021
where:
bonds (distance) C4'-P energy: -129.652
bonds (distance) P-C4' energy: -141.413
flat angles C4'-P-C4' energy: -164.604
flat angles P-C4'-P energy: -109.727
tors. eta vs tors. theta energy: -249.230
Dist. restrs. and SS energy: 5.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2717.656324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.656324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.776212 (E_RNA)
where:
Base-Base interactions energy: -1921.625
where: short stacking energy: -804.068
Base-Backbone interact. energy: -3.041
local terms energy: -796.109707
where:
bonds (distance) C4'-P energy: -146.474
bonds (distance) P-C4' energy: -123.490
flat angles C4'-P-C4' energy: -168.344
flat angles P-C4'-P energy: -111.238
tors. eta vs tors. theta energy: -246.564
Dist. restrs. and SS energy: 3.120 (S_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: 440
Temperature: 1.000000
Total energy: -2650.984712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.984712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.548987 (E_RNA)
where:
Base-Base interactions energy: -1874.571
where: short stacking energy: -785.866
Base-Backbone interact. energy: 1.365
local terms energy: -785.343811
where:
bonds (distance) C4'-P energy: -126.635
bonds (distance) P-C4' energy: -135.706
flat angles C4'-P-C4' energy: -157.356
flat angles P-C4'-P energy: -116.869
tors. eta vs tors. theta energy: -248.778
Dist. restrs. and SS energy: 7.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2625.259432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.259432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.299732 (E_RNA)
where:
Base-Base interactions energy: -1874.408
where: short stacking energy: -766.564
Base-Backbone interact. energy: -2.363
local terms energy: -759.528668
where:
bonds (distance) C4'-P energy: -119.391
bonds (distance) P-C4' energy: -141.366
flat angles C4'-P-C4' energy: -147.542
flat angles P-C4'-P energy: -112.196
tors. eta vs tors. theta energy: -239.034
Dist. restrs. and SS energy: 11.040 (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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2511.734020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.734020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.698442 (E_RNA)
where:
Base-Base interactions energy: -1791.967
where: short stacking energy: -737.019
Base-Backbone interact. energy: -2.759
local terms energy: -723.972766
where:
bonds (distance) C4'-P energy: -123.666
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -154.576
flat angles P-C4'-P energy: -96.946
tors. eta vs tors. theta energy: -226.058
Dist. restrs. and SS energy: 6.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2435.177941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.177941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.061344 (E_RNA)
where:
Base-Base interactions energy: -1759.035
where: short stacking energy: -715.628
Base-Backbone interact. energy: -1.636
local terms energy: -683.390017
where:
bonds (distance) C4'-P energy: -119.665
bonds (distance) P-C4' energy: -114.201
flat angles C4'-P-C4' energy: -132.628
flat angles P-C4'-P energy: -95.474
tors. eta vs tors. theta energy: -221.422
Dist. restrs. and SS energy: 8.883 (S_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: 440
Temperature: 1.200000
Total energy: -2374.350285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.350285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.370443 (E_RNA)
where:
Base-Base interactions energy: -1692.488
where: short stacking energy: -669.252
Base-Backbone interact. energy: -1.268
local terms energy: -686.614839
where:
bonds (distance) C4'-P energy: -116.501
bonds (distance) P-C4' energy: -139.145
flat angles C4'-P-C4' energy: -142.749
flat angles P-C4'-P energy: -88.054
tors. eta vs tors. theta energy: -200.167
Dist. restrs. and SS energy: 6.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -2206.041057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.041057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.839837 (E_RNA)
where:
Base-Base interactions energy: -1535.928
where: short stacking energy: -624.128
Base-Backbone interact. energy: -2.124
local terms energy: -678.787086
where:
bonds (distance) C4'-P energy: -122.256
bonds (distance) P-C4' energy: -136.155
flat angles C4'-P-C4' energy: -133.465
flat angles P-C4'-P energy: -95.968
tors. eta vs tors. theta energy: -190.943
Dist. restrs. and SS energy: 10.799 (S_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: -2142.957495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.957495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.836915 (E_RNA)
where:
Base-Base interactions energy: -1550.348
where: short stacking energy: -611.945
Base-Backbone interact. energy: 0.679
local terms energy: -604.167462
where:
bonds (distance) C4'-P energy: -102.728
bonds (distance) P-C4' energy: -119.377
flat angles C4'-P-C4' energy: -128.244
flat angles P-C4'-P energy: -58.906
tors. eta vs tors. theta energy: -194.912
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: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1980.961815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.961815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.831069 (E_RNA)
where:
Base-Base interactions energy: -1422.896
where: short stacking energy: -603.451
Base-Backbone interact. energy: 5.309
local terms energy: -592.244318
where:
bonds (distance) C4'-P energy: -95.269
bonds (distance) P-C4' energy: -109.274
flat angles C4'-P-C4' energy: -133.863
flat angles P-C4'-P energy: -93.553
tors. eta vs tors. theta energy: -160.285
Dist. restrs. and SS energy: 28.869 (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: 441
Temperature: 0.900000
Total energy: -2785.433911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.433911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.405296 (E_RNA)
where:
Base-Base interactions energy: -1964.885
where: short stacking energy: -815.711
Base-Backbone interact. energy: -1.091
local terms energy: -825.429882
where:
bonds (distance) C4'-P energy: -139.724
bonds (distance) P-C4' energy: -137.401
flat angles C4'-P-C4' energy: -166.794
flat angles P-C4'-P energy: -127.284
tors. eta vs tors. theta energy: -254.226
Dist. restrs. and SS energy: 5.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2722.191725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.191725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.156061 (E_RNA)
where:
Base-Base interactions energy: -1935.943
where: short stacking energy: -806.853
Base-Backbone interact. energy: -0.417
local terms energy: -788.796361
where:
bonds (distance) C4'-P energy: -125.576
bonds (distance) P-C4' energy: -144.238
flat angles C4'-P-C4' energy: -171.593
flat angles P-C4'-P energy: -109.182
tors. eta vs tors. theta energy: -238.208
Dist. restrs. and SS energy: 2.964 (S_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: 441
Temperature: 1.000000
Total energy: -2625.269143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.269143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.787925 (E_RNA)
where:
Base-Base interactions energy: -1842.356
where: short stacking energy: -766.904
Base-Backbone interact. energy: 0.249
local terms energy: -792.681325
where:
bonds (distance) C4'-P energy: -135.942
bonds (distance) P-C4' energy: -122.057
flat angles C4'-P-C4' energy: -160.218
flat angles P-C4'-P energy: -123.640
tors. eta vs tors. theta energy: -250.824
Dist. restrs. and SS energy: 9.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2580.853353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.853353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.473102 (E_RNA)
where:
Base-Base interactions energy: -1840.986
where: short stacking energy: -762.468
Base-Backbone interact. energy: -1.614
local terms energy: -744.872570
where:
bonds (distance) C4'-P energy: -126.691
bonds (distance) P-C4' energy: -143.182
flat angles C4'-P-C4' energy: -158.775
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -226.886
Dist. restrs. and SS energy: 6.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2496.730663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.730663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.057207 (E_RNA)
where:
Base-Base interactions energy: -1765.927
where: short stacking energy: -734.152
Base-Backbone interact. energy: 0.879
local terms energy: -738.009648
where:
bonds (distance) C4'-P energy: -122.487
bonds (distance) P-C4' energy: -130.516
flat angles C4'-P-C4' energy: -151.722
flat angles P-C4'-P energy: -105.120
tors. eta vs tors. theta energy: -228.165
Dist. restrs. and SS energy: 6.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2420.957059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.957059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.632482 (E_RNA)
where:
Base-Base interactions energy: -1702.238
where: short stacking energy: -680.521
Base-Backbone interact. energy: -2.789
local terms energy: -727.605752
where:
bonds (distance) C4'-P energy: -133.691
bonds (distance) P-C4' energy: -135.019
flat angles C4'-P-C4' energy: -146.616
flat angles P-C4'-P energy: -99.122
tors. eta vs tors. theta energy: -213.158
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: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2391.235824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.235824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.016422 (E_RNA)
where:
Base-Base interactions energy: -1690.477
where: short stacking energy: -673.724
Base-Backbone interact. energy: -1.964
local terms energy: -702.575538
where:
bonds (distance) C4'-P energy: -129.362
bonds (distance) P-C4' energy: -125.435
flat angles C4'-P-C4' energy: -147.205
flat angles P-C4'-P energy: -79.804
tors. eta vs tors. theta energy: -220.769
Dist. restrs. and SS energy: 3.781 (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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2176.470556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.470556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.461090 (E_RNA)
where:
Base-Base interactions energy: -1568.798
where: short stacking energy: -635.961
Base-Backbone interact. energy: 2.038
local terms energy: -620.701543
where:
bonds (distance) C4'-P energy: -112.755
bonds (distance) P-C4' energy: -105.793
flat angles C4'-P-C4' energy: -129.122
flat angles P-C4'-P energy: -81.806
tors. eta vs tors. theta energy: -191.224
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: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -2179.847403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.847403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.778370 (E_RNA)
where:
Base-Base interactions energy: -1564.380
where: short stacking energy: -617.891
Base-Backbone interact. energy: -0.634
local terms energy: -620.763838
where:
bonds (distance) C4'-P energy: -96.816
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -152.463
flat angles P-C4'-P energy: -76.975
tors. eta vs tors. theta energy: -205.949
Dist. restrs. and SS energy: 5.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1982.043323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.043323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.882375 (E_RNA)
where:
Base-Base interactions energy: -1438.963
where: short stacking energy: -562.331
Base-Backbone interact. energy: 2.019
local terms energy: -568.938381
where:
bonds (distance) C4'-P energy: -85.787
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -119.829
flat angles P-C4'-P energy: -95.094
tors. eta vs tors. theta energy: -166.928
Dist. restrs. and SS energy: 23.839 (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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2800.612595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.612595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.862890 (E_RNA)
where:
Base-Base interactions energy: -1989.642
where: short stacking energy: -833.343
Base-Backbone interact. energy: -2.303
local terms energy: -814.917853
where:
bonds (distance) C4'-P energy: -130.796
bonds (distance) P-C4' energy: -149.210
flat angles C4'-P-C4' energy: -174.534
flat angles P-C4'-P energy: -110.920
tors. eta vs tors. theta energy: -249.458
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: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2741.783307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.783307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.752498 (E_RNA)
where:
Base-Base interactions energy: -1952.074
where: short stacking energy: -790.878
Base-Backbone interact. energy: -0.262
local terms energy: -793.416898
where:
bonds (distance) C4'-P energy: -124.855
bonds (distance) P-C4' energy: -133.941
flat angles C4'-P-C4' energy: -169.268
flat angles P-C4'-P energy: -113.000
tors. eta vs tors. theta energy: -252.353
Dist. restrs. and SS energy: 3.969 (S_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: 442
Temperature: 1.000000
Total energy: -2636.145764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.145764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.203128 (E_RNA)
where:
Base-Base interactions energy: -1847.437
where: short stacking energy: -767.642
Base-Backbone interact. energy: -2.120
local terms energy: -796.646029
where:
bonds (distance) C4'-P energy: -146.035
bonds (distance) P-C4' energy: -143.422
flat angles C4'-P-C4' energy: -155.165
flat angles P-C4'-P energy: -104.624
tors. eta vs tors. theta energy: -247.400
Dist. restrs. and SS energy: 10.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2597.657792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.657792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.984247 (E_RNA)
where:
Base-Base interactions energy: -1883.685
where: short stacking energy: -769.632
Base-Backbone interact. energy: -1.785
local terms energy: -718.514350
where:
bonds (distance) C4'-P energy: -128.858
bonds (distance) P-C4' energy: -118.631
flat angles C4'-P-C4' energy: -158.077
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -228.033
Dist. restrs. and SS energy: 6.326 (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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2536.634372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.634372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.007809 (E_RNA)
where:
Base-Base interactions energy: -1807.261
where: short stacking energy: -731.066
Base-Backbone interact. energy: 0.683
local terms energy: -740.429655
where:
bonds (distance) C4'-P energy: -107.865
bonds (distance) P-C4' energy: -129.259
flat angles C4'-P-C4' energy: -158.510
flat angles P-C4'-P energy: -112.935
tors. eta vs tors. theta energy: -231.861
Dist. restrs. and SS energy: 10.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2390.597089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.597089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.919433 (E_RNA)
where:
Base-Base interactions energy: -1747.165
where: short stacking energy: -706.030
Base-Backbone interact. energy: -2.297
local terms energy: -650.456918
where:
bonds (distance) C4'-P energy: -105.013
bonds (distance) P-C4' energy: -110.797
flat angles C4'-P-C4' energy: -136.666
flat angles P-C4'-P energy: -89.619
tors. eta vs tors. theta energy: -208.362
Dist. restrs. and SS energy: 9.322 (S_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: 442
Temperature: 1.200000
Total energy: -2324.423918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.423918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.639206 (E_RNA)
where:
Base-Base interactions energy: -1668.190
where: short stacking energy: -658.518
Base-Backbone interact. energy: 7.146
local terms energy: -667.595129
where:
bonds (distance) C4'-P energy: -123.307
bonds (distance) P-C4' energy: -115.573
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -91.271
tors. eta vs tors. theta energy: -196.321
Dist. restrs. and SS energy: 4.215 (S_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: 442
Temperature: 1.250000
Total energy: -2206.549146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.549146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.678094 (E_RNA)
where:
Base-Base interactions energy: -1566.485
where: short stacking energy: -612.025
Base-Backbone interact. energy: -0.462
local terms energy: -649.731214
where:
bonds (distance) C4'-P energy: -114.192
bonds (distance) P-C4' energy: -103.955
flat angles C4'-P-C4' energy: -148.663
flat angles P-C4'-P energy: -103.459
tors. eta vs tors. theta energy: -179.462
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -2211.799566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.799566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.851683 (E_RNA)
where:
Base-Base interactions energy: -1604.631
where: short stacking energy: -630.202
Base-Backbone interact. energy: 3.228
local terms energy: -619.449508
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -146.601
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -203.988
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1983.121492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.121492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.380559 (E_RNA)
where:
Base-Base interactions energy: -1409.665
where: short stacking energy: -561.180
Base-Backbone interact. energy: -1.027
local terms energy: -589.688670
where:
bonds (distance) C4'-P energy: -108.264
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -137.640
flat angles P-C4'-P energy: -81.220
tors. eta vs tors. theta energy: -165.477
Dist. restrs. and SS energy: 17.259 (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: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2790.385850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.385850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.064453 (E_RNA)
where:
Base-Base interactions energy: -1971.735
where: short stacking energy: -802.263
Base-Backbone interact. energy: 2.320
local terms energy: -826.649548
where:
bonds (distance) C4'-P energy: -134.531
bonds (distance) P-C4' energy: -155.755
flat angles C4'-P-C4' energy: -172.147
flat angles P-C4'-P energy: -116.928
tors. eta vs tors. theta energy: -247.288
Dist. restrs. and SS energy: 5.679 (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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2728.763091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.763091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.273609 (E_RNA)
where:
Base-Base interactions energy: -1929.214
where: short stacking energy: -791.463
Base-Backbone interact. energy: -0.743
local terms energy: -804.316725
where:
bonds (distance) C4'-P energy: -147.687
bonds (distance) P-C4' energy: -128.420
flat angles C4'-P-C4' energy: -171.456
flat angles P-C4'-P energy: -109.990
tors. eta vs tors. theta energy: -246.764
Dist. restrs. and SS energy: 5.511 (S_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: 443
Temperature: 1.000000
Total energy: -2646.913660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.913660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.371531 (E_RNA)
where:
Base-Base interactions energy: -1854.839
where: short stacking energy: -767.944
Base-Backbone interact. energy: -2.207
local terms energy: -799.325003
where:
bonds (distance) C4'-P energy: -144.145
bonds (distance) P-C4' energy: -139.699
flat angles C4'-P-C4' energy: -157.820
flat angles P-C4'-P energy: -114.797
tors. eta vs tors. theta energy: -242.865
Dist. restrs. and SS energy: 9.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2602.914271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.914271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.568807 (E_RNA)
where:
Base-Base interactions energy: -1851.832
where: short stacking energy: -758.742
Base-Backbone interact. energy: -0.576
local terms energy: -757.160933
where:
bonds (distance) C4'-P energy: -115.635
bonds (distance) P-C4' energy: -128.676
flat angles C4'-P-C4' energy: -162.490
flat angles P-C4'-P energy: -113.447
tors. eta vs tors. theta energy: -236.913
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: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2510.746830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.746830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.174976 (E_RNA)
where:
Base-Base interactions energy: -1785.899
where: short stacking energy: -729.261
Base-Backbone interact. energy: -1.001
local terms energy: -732.274311
where:
bonds (distance) C4'-P energy: -120.343
bonds (distance) P-C4' energy: -132.379
flat angles C4'-P-C4' energy: -149.276
flat angles P-C4'-P energy: -108.740
tors. eta vs tors. theta energy: -221.536
Dist. restrs. and SS energy: 8.428 (S_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: 443
Temperature: 1.150000
Total energy: -2430.366569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.366569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.379922 (E_RNA)
where:
Base-Base interactions energy: -1719.936
where: short stacking energy: -699.457
Base-Backbone interact. energy: -0.170
local terms energy: -719.273945
where:
bonds (distance) C4'-P energy: -120.378
bonds (distance) P-C4' energy: -134.795
flat angles C4'-P-C4' energy: -139.767
flat angles P-C4'-P energy: -101.913
tors. eta vs tors. theta energy: -222.420
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: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2354.125761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.125761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.238260 (E_RNA)
where:
Base-Base interactions energy: -1654.670
where: short stacking energy: -693.960
Base-Backbone interact. energy: 0.819
local terms energy: -710.387777
where:
bonds (distance) C4'-P energy: -136.207
bonds (distance) P-C4' energy: -103.905
flat angles C4'-P-C4' energy: -161.866
flat angles P-C4'-P energy: -99.896
tors. eta vs tors. theta energy: -208.514
Dist. restrs. and SS energy: 10.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2308.412632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.412632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.713961 (E_RNA)
where:
Base-Base interactions energy: -1658.253
where: short stacking energy: -669.584
Base-Backbone interact. energy: -0.854
local terms energy: -660.607007
where:
bonds (distance) C4'-P energy: -121.177
bonds (distance) P-C4' energy: -112.073
flat angles C4'-P-C4' energy: -130.951
flat angles P-C4'-P energy: -76.597
tors. eta vs tors. theta energy: -219.809
Dist. restrs. and SS energy: 11.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -2119.621085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.621085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.121377 (E_RNA)
where:
Base-Base interactions energy: -1482.731
where: short stacking energy: -610.794
Base-Backbone interact. energy: -5.752
local terms energy: -647.638831
where:
bonds (distance) C4'-P energy: -119.125
bonds (distance) P-C4' energy: -110.705
flat angles C4'-P-C4' energy: -139.977
flat angles P-C4'-P energy: -85.656
tors. eta vs tors. theta energy: -192.175
Dist. restrs. and SS energy: 16.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1979.335954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.108466 (E_RNA)
where:
Base-Base interactions energy: -1391.997
where: short stacking energy: -558.497
Base-Backbone interact. energy: 4.511
local terms energy: -611.622457
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -125.035
flat angles C4'-P-C4' energy: -118.727
flat angles P-C4'-P energy: -87.111
tors. eta vs tors. theta energy: -174.765
Dist. restrs. and SS energy: 19.773 (S_DIST_RNA)
chem. 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: -2790.412770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.412770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.676568 (E_RNA)
where:
Base-Base interactions energy: -1967.110
where: short stacking energy: -807.358
Base-Backbone interact. energy: -2.558
local terms energy: -826.008605
where:
bonds (distance) C4'-P energy: -138.547
bonds (distance) P-C4' energy: -154.522
flat angles C4'-P-C4' energy: -164.441
flat angles P-C4'-P energy: -112.567
tors. eta vs tors. theta energy: -255.931
Dist. restrs. and SS energy: 5.264 (S_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: 444
Temperature: 0.950000
Total energy: -2697.026259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.026259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.834274 (E_RNA)
where:
Base-Base interactions energy: -1914.391
where: short stacking energy: -781.710
Base-Backbone interact. energy: 0.803
local terms energy: -788.246205
where:
bonds (distance) C4'-P energy: -131.786
bonds (distance) P-C4' energy: -142.144
flat angles C4'-P-C4' energy: -163.599
flat angles P-C4'-P energy: -108.924
tors. eta vs tors. theta energy: -241.794
Dist. restrs. and SS energy: 4.808 (S_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: 444
Temperature: 1.000000
Total energy: -2652.680326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.680326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.383291 (E_RNA)
where:
Base-Base interactions energy: -1874.408
where: short stacking energy: -775.841
Base-Backbone interact. energy: -2.647
local terms energy: -782.327879
where:
bonds (distance) C4'-P energy: -110.368
bonds (distance) P-C4' energy: -140.139
flat angles C4'-P-C4' energy: -163.659
flat angles P-C4'-P energy: -121.184
tors. eta vs tors. theta energy: -246.978
Dist. restrs. and SS energy: 6.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2585.028614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.028614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.624211 (E_RNA)
where:
Base-Base interactions energy: -1835.040
where: short stacking energy: -748.724
Base-Backbone interact. energy: -1.655
local terms energy: -754.928964
where:
bonds (distance) C4'-P energy: -127.580
bonds (distance) P-C4' energy: -128.904
flat angles C4'-P-C4' energy: -155.555
flat angles P-C4'-P energy: -104.455
tors. eta vs tors. theta energy: -238.436
Dist. restrs. and SS energy: 6.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2489.030523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.333097 (E_RNA)
where:
Base-Base interactions energy: -1776.942
where: short stacking energy: -712.288
Base-Backbone interact. energy: -0.661
local terms energy: -717.730328
where:
bonds (distance) C4'-P energy: -117.143
bonds (distance) P-C4' energy: -114.513
flat angles C4'-P-C4' energy: -151.945
flat angles P-C4'-P energy: -112.837
tors. eta vs tors. theta energy: -221.293
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: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2427.844299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.844299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.432273 (E_RNA)
where:
Base-Base interactions energy: -1743.914
where: short stacking energy: -683.806
Base-Backbone interact. energy: -0.344
local terms energy: -687.174167
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -152.196
flat angles P-C4'-P energy: -96.562
tors. eta vs tors. theta energy: -215.040
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2340.669372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.669372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.988180 (E_RNA)
where:
Base-Base interactions energy: -1640.970
where: short stacking energy: -670.612
Base-Backbone interact. energy: -2.768
local terms energy: -706.250620
where:
bonds (distance) C4'-P energy: -119.095
bonds (distance) P-C4' energy: -130.144
flat angles C4'-P-C4' energy: -138.649
flat angles P-C4'-P energy: -99.591
tors. eta vs tors. theta energy: -218.771
Dist. restrs. and SS energy: 9.319 (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: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2255.264237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.264237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.199076 (E_RNA)
where:
Base-Base interactions energy: -1628.591
where: short stacking energy: -666.696
Base-Backbone interact. energy: -2.180
local terms energy: -634.427761
where:
bonds (distance) C4'-P energy: -109.794
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -134.609
flat angles P-C4'-P energy: -84.296
tors. eta vs tors. theta energy: -209.882
Dist. restrs. and SS energy: 9.935 (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: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -2150.905595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.905595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.226956 (E_RNA)
where:
Base-Base interactions energy: -1530.938
where: short stacking energy: -590.671
Base-Backbone interact. energy: -1.547
local terms energy: -630.741490
where:
bonds (distance) C4'-P energy: -107.684
bonds (distance) P-C4' energy: -108.423
flat angles C4'-P-C4' energy: -144.677
flat angles P-C4'-P energy: -91.010
tors. eta vs tors. theta energy: -178.948
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: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1974.454356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.454356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.319422 (E_RNA)
where:
Base-Base interactions energy: -1420.656
where: short stacking energy: -588.541
Base-Backbone interact. energy: 2.772
local terms energy: -571.435542
where:
bonds (distance) C4'-P energy: -95.670
bonds (distance) P-C4' energy: -114.575
flat angles C4'-P-C4' energy: -117.646
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -173.036
Dist. restrs. and SS energy: 14.865 (S_DIST_RNA)
chem. 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: -2767.762656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.989392 (E_RNA)
where:
Base-Base interactions energy: -1939.747
where: short stacking energy: -794.492
Base-Backbone interact. energy: -1.036
local terms energy: -833.206411
where:
bonds (distance) C4'-P energy: -137.432
bonds (distance) P-C4' energy: -143.040
flat angles C4'-P-C4' energy: -172.358
flat angles P-C4'-P energy: -126.919
tors. eta vs tors. theta energy: -253.458
Dist. restrs. and SS energy: 6.227 (S_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: 445
Temperature: 0.950000
Total energy: -2705.053859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.053859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.549719 (E_RNA)
where:
Base-Base interactions energy: -1914.503
where: short stacking energy: -792.282
Base-Backbone interact. energy: -0.394
local terms energy: -794.651802
where:
bonds (distance) C4'-P energy: -126.649
bonds (distance) P-C4' energy: -144.031
flat angles C4'-P-C4' energy: -162.339
flat angles P-C4'-P energy: -122.976
tors. eta vs tors. theta energy: -238.656
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2644.007537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.007537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.889194 (E_RNA)
where:
Base-Base interactions energy: -1857.001
where: short stacking energy: -770.592
Base-Backbone interact. energy: -3.199
local terms energy: -792.688991
where:
bonds (distance) C4'-P energy: -134.467
bonds (distance) P-C4' energy: -132.161
flat angles C4'-P-C4' energy: -170.556
flat angles P-C4'-P energy: -112.819
tors. eta vs tors. theta energy: -242.686
Dist. restrs. and SS energy: 8.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2566.197758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.197758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.313508 (E_RNA)
where:
Base-Base interactions energy: -1813.323
where: short stacking energy: -713.445
Base-Backbone interact. energy: -1.430
local terms energy: -758.559789
where:
bonds (distance) C4'-P energy: -134.731
bonds (distance) P-C4' energy: -138.456
flat angles C4'-P-C4' energy: -161.857
flat angles P-C4'-P energy: -107.177
tors. eta vs tors. theta energy: -216.339
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: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2516.726008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.726008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.104129 (E_RNA)
where:
Base-Base interactions energy: -1817.962
where: short stacking energy: -732.599
Base-Backbone interact. energy: -3.524
local terms energy: -700.617470
where:
bonds (distance) C4'-P energy: -117.262
bonds (distance) P-C4' energy: -127.337
flat angles C4'-P-C4' energy: -139.370
flat angles P-C4'-P energy: -102.024
tors. eta vs tors. theta energy: -214.626
Dist. restrs. and SS energy: 5.378 (S_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: 445
Temperature: 1.150000
Total energy: -2410.510625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.510625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.297089 (E_RNA)
where:
Base-Base interactions energy: -1711.980
where: short stacking energy: -688.291
Base-Backbone interact. energy: 2.828
local terms energy: -706.144643
where:
bonds (distance) C4'-P energy: -126.002
bonds (distance) P-C4' energy: -128.935
flat angles C4'-P-C4' energy: -152.732
flat angles P-C4'-P energy: -83.524
tors. eta vs tors. theta energy: -214.951
Dist. restrs. and SS energy: 4.786 (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: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2366.293861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.293861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.099380 (E_RNA)
where:
Base-Base interactions energy: -1708.652
where: short stacking energy: -693.012
Base-Backbone interact. energy: -2.944
local terms energy: -661.502576
where:
bonds (distance) C4'-P energy: -104.493
bonds (distance) P-C4' energy: -107.935
flat angles C4'-P-C4' energy: -148.315
flat angles P-C4'-P energy: -91.492
tors. eta vs tors. theta energy: -209.268
Dist. restrs. and SS energy: 6.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2267.458657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.458657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.087993 (E_RNA)
where:
Base-Base interactions energy: -1620.014
where: short stacking energy: -639.520
Base-Backbone interact. energy: -1.459
local terms energy: -655.615055
where:
bonds (distance) C4'-P energy: -130.539
bonds (distance) P-C4' energy: -119.406
flat angles C4'-P-C4' energy: -117.840
flat angles P-C4'-P energy: -87.587
tors. eta vs tors. theta energy: -200.243
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: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -2153.934881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.934881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.015246 (E_RNA)
where:
Base-Base interactions energy: -1555.517
where: short stacking energy: -615.185
Base-Backbone interact. energy: 4.177
local terms energy: -614.675016
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -122.321
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -190.336
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: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1988.728411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.728411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.668593 (E_RNA)
where:
Base-Base interactions energy: -1432.045
where: short stacking energy: -598.710
Base-Backbone interact. energy: 1.734
local terms energy: -579.357599
where:
bonds (distance) C4'-P energy: -107.981
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -132.416
flat angles P-C4'-P energy: -68.630
tors. eta vs tors. theta energy: -172.785
Dist. restrs. and SS energy: 20.940 (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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2793.836410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.836410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.266769 (E_RNA)
where:
Base-Base interactions energy: -1965.496
where: short stacking energy: -805.046
Base-Backbone interact. energy: -2.365
local terms energy: -833.404903
where:
bonds (distance) C4'-P energy: -151.689
bonds (distance) P-C4' energy: -136.357
flat angles C4'-P-C4' energy: -168.750
flat angles P-C4'-P energy: -126.885
tors. eta vs tors. theta energy: -249.723
Dist. restrs. and SS energy: 7.430 (S_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: 446
Temperature: 0.950000
Total energy: -2705.427104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.427104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.562910 (E_RNA)
where:
Base-Base interactions energy: -1924.418
where: short stacking energy: -777.446
Base-Backbone interact. energy: -3.213
local terms energy: -780.931609
where:
bonds (distance) C4'-P energy: -137.271
bonds (distance) P-C4' energy: -127.502
flat angles C4'-P-C4' energy: -164.439
flat angles P-C4'-P energy: -107.992
tors. eta vs tors. theta energy: -243.727
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2664.350592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.350592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.333616 (E_RNA)
where:
Base-Base interactions energy: -1879.575
where: short stacking energy: -772.457
Base-Backbone interact. energy: -3.628
local terms energy: -788.130527
where:
bonds (distance) C4'-P energy: -131.928
bonds (distance) P-C4' energy: -143.327
flat angles C4'-P-C4' energy: -154.546
flat angles P-C4'-P energy: -114.674
tors. eta vs tors. theta energy: -243.656
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: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2559.425447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.425447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.276337 (E_RNA)
where:
Base-Base interactions energy: -1847.333
where: short stacking energy: -734.675
Base-Backbone interact. energy: -0.463
local terms energy: -719.480377
where:
bonds (distance) C4'-P energy: -123.277
bonds (distance) P-C4' energy: -117.335
flat angles C4'-P-C4' energy: -151.043
flat angles P-C4'-P energy: -111.985
tors. eta vs tors. theta energy: -215.840
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2517.700046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.700046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.285979 (E_RNA)
where:
Base-Base interactions energy: -1811.552
where: short stacking energy: -736.682
Base-Backbone interact. energy: -3.146
local terms energy: -710.588371
where:
bonds (distance) C4'-P energy: -114.281
bonds (distance) P-C4' energy: -132.628
flat angles C4'-P-C4' energy: -159.258
flat angles P-C4'-P energy: -90.529
tors. eta vs tors. theta energy: -213.891
Dist. restrs. and SS energy: 7.586 (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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2418.242298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.242298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.694826 (E_RNA)
where:
Base-Base interactions energy: -1737.199
where: short stacking energy: -682.607
Base-Backbone interact. energy: -1.426
local terms energy: -685.070503
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -116.537
flat angles C4'-P-C4' energy: -136.517
flat angles P-C4'-P energy: -94.826
tors. eta vs tors. theta energy: -219.512
Dist. restrs. and SS energy: 5.453 (S_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: 446
Temperature: 1.200000
Total energy: -2344.026570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.026570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.300444 (E_RNA)
where:
Base-Base interactions energy: -1651.591
where: short stacking energy: -686.945
Base-Backbone interact. energy: -2.690
local terms energy: -705.019246
where:
bonds (distance) C4'-P energy: -133.255
bonds (distance) P-C4' energy: -121.597
flat angles C4'-P-C4' energy: -144.927
flat angles P-C4'-P energy: -97.255
tors. eta vs tors. theta energy: -207.985
Dist. restrs. and SS energy: 15.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2262.879902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.879902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.992050 (E_RNA)
where:
Base-Base interactions energy: -1607.268
where: short stacking energy: -653.436
Base-Backbone interact. energy: -0.518
local terms energy: -659.206482
where:
bonds (distance) C4'-P energy: -112.069
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -139.708
flat angles P-C4'-P energy: -99.264
tors. eta vs tors. theta energy: -193.622
Dist. restrs. and SS energy: 4.112 (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: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -2184.504720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.504720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.539726 (E_RNA)
where:
Base-Base interactions energy: -1566.094
where: short stacking energy: -645.011
Base-Backbone interact. energy: -0.930
local terms energy: -629.515024
where:
bonds (distance) C4'-P energy: -97.680
bonds (distance) P-C4' energy: -102.155
flat angles C4'-P-C4' energy: -134.962
flat angles P-C4'-P energy: -96.546
tors. eta vs tors. theta energy: -198.173
Dist. restrs. and SS energy: 12.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1931.037610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.037610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.232554 (E_RNA)
where:
Base-Base interactions energy: -1382.708
where: short stacking energy: -552.767
Base-Backbone interact. energy: -1.432
local terms energy: -582.092425
where:
bonds (distance) C4'-P energy: -118.979
bonds (distance) P-C4' energy: -91.349
flat angles C4'-P-C4' energy: -131.603
flat angles P-C4'-P energy: -70.634
tors. eta vs tors. theta energy: -169.527
Dist. restrs. and SS energy: 35.195 (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: 447
Temperature: 0.900000
Total energy: -2788.939856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.939856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.445466 (E_RNA)
where:
Base-Base interactions energy: -1984.849
where: short stacking energy: -790.978
Base-Backbone interact. energy: 2.572
local terms energy: -813.168501
where:
bonds (distance) C4'-P energy: -148.664
bonds (distance) P-C4' energy: -124.542
flat angles C4'-P-C4' energy: -173.368
flat angles P-C4'-P energy: -109.467
tors. eta vs tors. theta energy: -257.129
Dist. restrs. and SS energy: 6.506 (S_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: 447
Temperature: 0.950000
Total energy: -2711.276267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.276267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.277503 (E_RNA)
where:
Base-Base interactions energy: -1902.160
where: short stacking energy: -770.543
Base-Backbone interact. energy: -1.255
local terms energy: -810.862336
where:
bonds (distance) C4'-P energy: -137.281
bonds (distance) P-C4' energy: -145.588
flat angles C4'-P-C4' energy: -169.214
flat angles P-C4'-P energy: -120.262
tors. eta vs tors. theta energy: -238.517
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2667.190448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.190448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.866458 (E_RNA)
where:
Base-Base interactions energy: -1871.239
where: short stacking energy: -781.590
Base-Backbone interact. energy: -1.652
local terms energy: -802.975889
where:
bonds (distance) C4'-P energy: -138.865
bonds (distance) P-C4' energy: -146.194
flat angles C4'-P-C4' energy: -163.248
flat angles P-C4'-P energy: -104.313
tors. eta vs tors. theta energy: -250.356
Dist. restrs. and SS energy: 8.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2562.471850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.471850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.530631 (E_RNA)
where:
Base-Base interactions energy: -1827.406
where: short stacking energy: -726.986
Base-Backbone interact. energy: -2.688
local terms energy: -738.436820
where:
bonds (distance) C4'-P energy: -126.487
bonds (distance) P-C4' energy: -135.768
flat angles C4'-P-C4' energy: -149.528
flat angles P-C4'-P energy: -115.446
tors. eta vs tors. theta energy: -211.208
Dist. restrs. and SS energy: 6.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2509.034263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.034263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.389878 (E_RNA)
where:
Base-Base interactions energy: -1792.649
where: short stacking energy: -699.363
Base-Backbone interact. energy: 1.913
local terms energy: -727.654032
where:
bonds (distance) C4'-P energy: -133.086
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -146.518
flat angles P-C4'-P energy: -113.115
tors. eta vs tors. theta energy: -224.988
Dist. restrs. and SS energy: 9.356 (S_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: 447
Temperature: 1.150000
Total energy: -2422.851460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.851460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.311222 (E_RNA)
where:
Base-Base interactions energy: -1718.794
where: short stacking energy: -697.134
Base-Backbone interact. energy: -1.800
local terms energy: -711.717044
where:
bonds (distance) C4'-P energy: -115.698
bonds (distance) P-C4' energy: -137.365
flat angles C4'-P-C4' energy: -143.597
flat angles P-C4'-P energy: -100.598
tors. eta vs tors. theta energy: -214.459
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: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2382.311360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.311360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.619785 (E_RNA)
where:
Base-Base interactions energy: -1727.412
where: short stacking energy: -709.859
Base-Backbone interact. energy: -2.167
local terms energy: -660.041171
where:
bonds (distance) C4'-P energy: -98.071
bonds (distance) P-C4' energy: -122.270
flat angles C4'-P-C4' energy: -145.802
flat angles P-C4'-P energy: -82.169
tors. eta vs tors. theta energy: -211.728
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: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2243.869633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.869633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.816352 (E_RNA)
where:
Base-Base interactions energy: -1610.064
where: short stacking energy: -638.812
Base-Backbone interact. energy: 1.047
local terms energy: -641.798839
where:
bonds (distance) C4'-P energy: -107.776
bonds (distance) P-C4' energy: -103.366
flat angles C4'-P-C4' energy: -144.138
flat angles P-C4'-P energy: -85.134
tors. eta vs tors. theta energy: -201.384
Dist. restrs. and SS energy: 6.947 (S_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: -2184.602737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.602737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.514568 (E_RNA)
where:
Base-Base interactions energy: -1551.945
where: short stacking energy: -615.097
Base-Backbone interact. energy: -2.999
local terms energy: -639.569992
where:
bonds (distance) C4'-P energy: -103.529
bonds (distance) P-C4' energy: -117.717
flat angles C4'-P-C4' energy: -131.806
flat angles P-C4'-P energy: -90.040
tors. eta vs tors. theta energy: -196.478
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: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1937.778609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.778609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.560509 (E_RNA)
where:
Base-Base interactions energy: -1383.799
where: short stacking energy: -539.535
Base-Backbone interact. energy: -2.045
local terms energy: -571.716748
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -78.815
tors. eta vs tors. theta energy: -161.676
Dist. restrs. and SS energy: 19.782 (S_DIST_RNA)
chem. 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: -2786.061000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.061000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.177562 (E_RNA)
where:
Base-Base interactions energy: -1985.907
where: short stacking energy: -812.015
Base-Backbone interact. energy: -2.236
local terms energy: -805.034218
where:
bonds (distance) C4'-P energy: -141.532
bonds (distance) P-C4' energy: -129.018
flat angles C4'-P-C4' energy: -167.049
flat angles P-C4'-P energy: -120.325
tors. eta vs tors. theta energy: -247.109
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: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2718.945883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.945883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.482329 (E_RNA)
where:
Base-Base interactions energy: -1921.779
where: short stacking energy: -777.604
Base-Backbone interact. energy: -1.124
local terms energy: -800.579085
where:
bonds (distance) C4'-P energy: -132.059
bonds (distance) P-C4' energy: -138.726
flat angles C4'-P-C4' energy: -164.555
flat angles P-C4'-P energy: -118.563
tors. eta vs tors. theta energy: -246.676
Dist. restrs. and SS energy: 4.536 (S_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: 448
Temperature: 1.000000
Total energy: -2658.393521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.393521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.397424 (E_RNA)
where:
Base-Base interactions energy: -1875.099
where: short stacking energy: -770.827
Base-Backbone interact. energy: -1.746
local terms energy: -790.552212
where:
bonds (distance) C4'-P energy: -143.259
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -157.847
flat angles P-C4'-P energy: -106.682
tors. eta vs tors. theta energy: -246.710
Dist. restrs. and SS energy: 9.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2543.222621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.222621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.132861 (E_RNA)
where:
Base-Base interactions energy: -1845.308
where: short stacking energy: -722.646
Base-Backbone interact. energy: 3.401
local terms energy: -708.225568
where:
bonds (distance) C4'-P energy: -117.172
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -144.116
flat angles P-C4'-P energy: -108.351
tors. eta vs tors. theta energy: -220.550
Dist. restrs. and SS energy: 6.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2533.030408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.030408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.502236 (E_RNA)
where:
Base-Base interactions energy: -1818.217
where: short stacking energy: -743.443
Base-Backbone interact. energy: -0.857
local terms energy: -721.428224
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -126.836
flat angles C4'-P-C4' energy: -147.937
flat angles P-C4'-P energy: -107.474
tors. eta vs tors. theta energy: -232.396
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2440.909435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.909435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.006610 (E_RNA)
where:
Base-Base interactions energy: -1740.822
where: short stacking energy: -690.216
Base-Backbone interact. energy: -4.118
local terms energy: -700.066977
where:
bonds (distance) C4'-P energy: -116.253
bonds (distance) P-C4' energy: -126.251
flat angles C4'-P-C4' energy: -132.008
flat angles P-C4'-P energy: -111.227
tors. eta vs tors. theta energy: -214.329
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: 448
Temperature: 1.200000
Total energy: -2335.437879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.437879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.754415 (E_RNA)
where:
Base-Base interactions energy: -1650.629
where: short stacking energy: -636.971
Base-Backbone interact. energy: -1.710
local terms energy: -689.415849
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -129.812
flat angles C4'-P-C4' energy: -146.751
flat angles P-C4'-P energy: -86.585
tors. eta vs tors. theta energy: -204.138
Dist. restrs. and SS energy: 6.317 (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: 448
Temperature: 1.250000
Total energy: -2235.375878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.375878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.596759 (E_RNA)
where:
Base-Base interactions energy: -1572.383
where: short stacking energy: -612.309
Base-Backbone interact. energy: -3.675
local terms energy: -666.539038
where:
bonds (distance) C4'-P energy: -115.302
bonds (distance) P-C4' energy: -115.949
flat angles C4'-P-C4' energy: -145.114
flat angles P-C4'-P energy: -97.708
tors. eta vs tors. theta energy: -192.467
Dist. restrs. and SS energy: 7.221 (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: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -2150.756669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.756669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.864310 (E_RNA)
where:
Base-Base interactions energy: -1530.015
where: short stacking energy: -604.583
Base-Backbone interact. energy: -0.963
local terms energy: -629.887094
where:
bonds (distance) C4'-P energy: -119.427
bonds (distance) P-C4' energy: -103.680
flat angles C4'-P-C4' energy: -136.043
flat angles P-C4'-P energy: -103.160
tors. eta vs tors. theta energy: -167.578
Dist. restrs. and SS energy: 10.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -2005.928412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.928412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.203800 (E_RNA)
where:
Base-Base interactions energy: -1443.540
where: short stacking energy: -581.419
Base-Backbone interact. energy: 5.035
local terms energy: -587.698327
where:
bonds (distance) C4'-P energy: -94.122
bonds (distance) P-C4' energy: -99.165
flat angles C4'-P-C4' energy: -132.846
flat angles P-C4'-P energy: -78.641
tors. eta vs tors. theta energy: -182.924
Dist. restrs. and SS energy: 20.275 (S_DIST_RNA)
chem. 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: -2776.423769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.423769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.127945 (E_RNA)
where:
Base-Base interactions energy: -1976.640
where: short stacking energy: -808.232
Base-Backbone interact. energy: -1.667
local terms energy: -803.821640
where:
bonds (distance) C4'-P energy: -141.270
bonds (distance) P-C4' energy: -141.926
flat angles C4'-P-C4' energy: -160.059
flat angles P-C4'-P energy: -110.869
tors. eta vs tors. theta energy: -249.698
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2718.081411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.081411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.062068 (E_RNA)
where:
Base-Base interactions energy: -1929.494
where: short stacking energy: -802.110
Base-Backbone interact. energy: -1.222
local terms energy: -793.345630
where:
bonds (distance) C4'-P energy: -151.989
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -155.403
flat angles P-C4'-P energy: -106.786
tors. eta vs tors. theta energy: -246.016
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: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2708.770780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.770780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.523005 (E_RNA)
where:
Base-Base interactions energy: -1921.022
where: short stacking energy: -787.368
Base-Backbone interact. energy: -1.045
local terms energy: -791.456361
where:
bonds (distance) C4'-P energy: -132.951
bonds (distance) P-C4' energy: -139.415
flat angles C4'-P-C4' energy: -157.695
flat angles P-C4'-P energy: -114.070
tors. eta vs tors. theta energy: -247.325
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2606.624154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.624154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.028177 (E_RNA)
where:
Base-Base interactions energy: -1845.917
where: short stacking energy: -727.104
Base-Backbone interact. energy: -0.081
local terms energy: -767.030430
where:
bonds (distance) C4'-P energy: -132.593
bonds (distance) P-C4' energy: -150.924
flat angles C4'-P-C4' energy: -155.245
flat angles P-C4'-P energy: -106.244
tors. eta vs tors. theta energy: -222.025
Dist. restrs. and SS energy: 6.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2532.022688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.022688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.510398 (E_RNA)
where:
Base-Base interactions energy: -1801.076
where: short stacking energy: -734.958
Base-Backbone interact. energy: -0.483
local terms energy: -737.952143
where:
bonds (distance) C4'-P energy: -130.447
bonds (distance) P-C4' energy: -125.506
flat angles C4'-P-C4' energy: -152.266
flat angles P-C4'-P energy: -108.913
tors. eta vs tors. theta energy: -220.820
Dist. restrs. and SS energy: 7.488 (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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2426.909322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.909322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.617786 (E_RNA)
where:
Base-Base interactions energy: -1746.693
where: short stacking energy: -710.928
Base-Backbone interact. energy: -1.253
local terms energy: -682.672232
where:
bonds (distance) C4'-P energy: -128.808
bonds (distance) P-C4' energy: -123.097
flat angles C4'-P-C4' energy: -142.802
flat angles P-C4'-P energy: -78.296
tors. eta vs tors. theta energy: -209.669
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: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2356.416378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.416378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.575103 (E_RNA)
where:
Base-Base interactions energy: -1688.177
where: short stacking energy: -694.029
Base-Backbone interact. energy: -1.560
local terms energy: -679.838664
where:
bonds (distance) C4'-P energy: -117.512
bonds (distance) P-C4' energy: -110.276
flat angles C4'-P-C4' energy: -131.864
flat angles P-C4'-P energy: -101.653
tors. eta vs tors. theta energy: -218.534
Dist. restrs. and SS energy: 13.159 (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: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2221.329208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.329208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.814658 (E_RNA)
where:
Base-Base interactions energy: -1569.012
where: short stacking energy: -634.583
Base-Backbone interact. energy: 0.178
local terms energy: -658.980738
where:
bonds (distance) C4'-P energy: -117.423
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -150.512
flat angles P-C4'-P energy: -83.184
tors. eta vs tors. theta energy: -198.769
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: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -2122.642883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.642883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.932325 (E_RNA)
where:
Base-Base interactions energy: -1536.251
where: short stacking energy: -631.684
Base-Backbone interact. energy: -2.824
local terms energy: -595.857165
where:
bonds (distance) C4'-P energy: -111.910
bonds (distance) P-C4' energy: -94.159
flat angles C4'-P-C4' energy: -130.894
flat angles P-C4'-P energy: -67.849
tors. eta vs tors. theta energy: -191.045
Dist. restrs. and SS energy: 12.289 (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: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -2001.520452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.520452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.617025 (E_RNA)
where:
Base-Base interactions energy: -1421.991
where: short stacking energy: -580.041
Base-Backbone interact. energy: -0.782
local terms energy: -597.843626
where:
bonds (distance) C4'-P energy: -101.734
bonds (distance) P-C4' energy: -101.740
flat angles C4'-P-C4' energy: -146.704
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: -175.368
Dist. restrs. and SS energy: 19.097 (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: 450
Temperature: 0.900000
Total energy: -2743.783726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.783726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.645296 (E_RNA)
where:
Base-Base interactions energy: -1928.549
where: short stacking energy: -797.556
Base-Backbone interact. energy: 0.517
local terms energy: -821.613927
where:
bonds (distance) C4'-P energy: -141.443
bonds (distance) P-C4' energy: -152.911
flat angles C4'-P-C4' energy: -165.705
flat angles P-C4'-P energy: -119.072
tors. eta vs tors. theta energy: -242.483
Dist. restrs. and SS energy: 5.862 (S_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: 450
Temperature: 0.950000
Total energy: -2703.745094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.745094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.534902 (E_RNA)
where:
Base-Base interactions energy: -1916.975
where: short stacking energy: -795.686
Base-Backbone interact. energy: -1.666
local terms energy: -790.893677
where:
bonds (distance) C4'-P energy: -132.033
bonds (distance) P-C4' energy: -126.620
flat angles C4'-P-C4' energy: -164.213
flat angles P-C4'-P energy: -109.775
tors. eta vs tors. theta energy: -258.252
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: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2687.988703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.988703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.462770 (E_RNA)
where:
Base-Base interactions energy: -1892.832
where: short stacking energy: -763.061
Base-Backbone interact. energy: -0.298
local terms energy: -802.332732
where:
bonds (distance) C4'-P energy: -126.785
bonds (distance) P-C4' energy: -143.673
flat angles C4'-P-C4' energy: -167.601
flat angles P-C4'-P energy: -118.876
tors. eta vs tors. theta energy: -245.398
Dist. restrs. and SS energy: 7.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2587.575111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.575111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.396063 (E_RNA)
where:
Base-Base interactions energy: -1872.749
where: short stacking energy: -752.323
Base-Backbone interact. energy: 3.982
local terms energy: -724.628787
where:
bonds (distance) C4'-P energy: -115.207
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -156.722
flat angles P-C4'-P energy: -90.722
tors. eta vs tors. theta energy: -236.369
Dist. restrs. and SS energy: 5.821 (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: 450
Temperature: 1.100000
Total energy: -2531.152692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.152692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.571844 (E_RNA)
where:
Base-Base interactions energy: -1788.755
where: short stacking energy: -714.507
Base-Backbone interact. energy: -3.555
local terms energy: -746.260919
where:
bonds (distance) C4'-P energy: -122.606
bonds (distance) P-C4' energy: -143.330
flat angles C4'-P-C4' energy: -149.251
flat angles P-C4'-P energy: -108.458
tors. eta vs tors. theta energy: -222.616
Dist. restrs. and SS energy: 7.419 (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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2433.332987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.332987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.310132 (E_RNA)
where:
Base-Base interactions energy: -1727.241
where: short stacking energy: -689.496
Base-Backbone interact. energy: -2.476
local terms energy: -707.593254
where:
bonds (distance) C4'-P energy: -120.918
bonds (distance) P-C4' energy: -129.200
flat angles C4'-P-C4' energy: -151.827
flat angles P-C4'-P energy: -90.411
tors. eta vs tors. theta energy: -215.237
Dist. restrs. and SS energy: 3.977 (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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2335.244434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.244434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.711701 (E_RNA)
where:
Base-Base interactions energy: -1662.931
where: short stacking energy: -661.191
Base-Backbone interact. energy: -1.786
local terms energy: -679.994818
where:
bonds (distance) C4'-P energy: -115.005
bonds (distance) P-C4' energy: -122.814
flat angles C4'-P-C4' energy: -135.507
flat angles P-C4'-P energy: -97.727
tors. eta vs tors. theta energy: -208.941
Dist. restrs. and SS energy: 9.467 (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: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2286.337895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.337895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.962226 (E_RNA)
where:
Base-Base interactions energy: -1629.875
where: short stacking energy: -666.044
Base-Backbone interact. energy: 0.703
local terms energy: -663.789621
where:
bonds (distance) C4'-P energy: -105.778
bonds (distance) P-C4' energy: -128.229
flat angles C4'-P-C4' energy: -126.863
flat angles P-C4'-P energy: -94.732
tors. eta vs tors. theta energy: -208.188
Dist. restrs. and SS energy: 6.624 (S_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: 450
Temperature: 1.300000
Total energy: -2120.549526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.549526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.571664 (E_RNA)
where:
Base-Base interactions energy: -1473.458
where: short stacking energy: -613.338
Base-Backbone interact. energy: -3.351
local terms energy: -658.762043
where:
bonds (distance) C4'-P energy: -123.591
bonds (distance) P-C4' energy: -119.950
flat angles C4'-P-C4' energy: -123.930
flat angles P-C4'-P energy: -93.310
tors. eta vs tors. theta energy: -197.980
Dist. restrs. and SS energy: 15.022 (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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -2025.960362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.960362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.917748 (E_RNA)
where:
Base-Base interactions energy: -1429.166
where: short stacking energy: -588.652
Base-Backbone interact. energy: 8.445
local terms energy: -629.196717
where:
bonds (distance) C4'-P energy: -114.512
bonds (distance) P-C4' energy: -102.630
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -93.408
tors. eta vs tors. theta energy: -183.107
Dist. restrs. and SS energy: 23.957 (S_DIST_RNA)
chem. 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: -2744.549528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.549528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.176310 (E_RNA)
where:
Base-Base interactions energy: -1958.267
where: short stacking energy: -795.702
Base-Backbone interact. energy: 0.088
local terms energy: -791.997240
where:
bonds (distance) C4'-P energy: -147.116
bonds (distance) P-C4' energy: -125.721
flat angles C4'-P-C4' energy: -167.106
flat angles P-C4'-P energy: -106.614
tors. eta vs tors. theta energy: -245.440
Dist. restrs. and SS energy: 5.627 (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: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2788.761891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.761891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.277267 (E_RNA)
where:
Base-Base interactions energy: -1987.645
where: short stacking energy: -793.826
Base-Backbone interact. energy: 1.362
local terms energy: -806.995194
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -147.546
flat angles C4'-P-C4' energy: -171.388
flat angles P-C4'-P energy: -113.365
tors. eta vs tors. theta energy: -237.500
Dist. restrs. and SS energy: 4.515 (S_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: 451
Temperature: 1.000000
Total energy: -2652.483540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.483540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.906401 (E_RNA)
where:
Base-Base interactions energy: -1878.610
where: short stacking energy: -782.133
Base-Backbone interact. energy: 2.863
local terms energy: -787.159363
where:
bonds (distance) C4'-P energy: -134.011
bonds (distance) P-C4' energy: -123.414
flat angles C4'-P-C4' energy: -161.065
flat angles P-C4'-P energy: -117.672
tors. eta vs tors. theta energy: -250.997
Dist. restrs. and SS energy: 10.423 (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: 451
Temperature: 1.050000
Total energy: -2613.682630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.682630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.191018 (E_RNA)
where:
Base-Base interactions energy: -1875.554
where: short stacking energy: -769.666
Base-Backbone interact. energy: -2.577
local terms energy: -744.060412
where:
bonds (distance) C4'-P energy: -130.690
bonds (distance) P-C4' energy: -125.112
flat angles C4'-P-C4' energy: -139.694
flat angles P-C4'-P energy: -114.751
tors. eta vs tors. theta energy: -233.815
Dist. restrs. and SS energy: 8.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2548.894535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.894535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.248953 (E_RNA)
where:
Base-Base interactions energy: -1824.593
where: short stacking energy: -743.602
Base-Backbone interact. energy: 1.386
local terms energy: -734.041734
where:
bonds (distance) C4'-P energy: -118.051
bonds (distance) P-C4' energy: -119.409
flat angles C4'-P-C4' energy: -144.043
flat angles P-C4'-P energy: -117.330
tors. eta vs tors. theta energy: -235.209
Dist. restrs. and SS energy: 8.354 (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: 451
Temperature: 1.150000
Total energy: -2427.807180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.625212 (E_RNA)
where:
Base-Base interactions energy: -1733.872
where: short stacking energy: -703.055
Base-Backbone interact. energy: 1.513
local terms energy: -698.266788
where:
bonds (distance) C4'-P energy: -124.771
bonds (distance) P-C4' energy: -132.768
flat angles C4'-P-C4' energy: -135.327
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -216.382
Dist. restrs. and SS energy: 2.818 (S_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: 451
Temperature: 1.200000
Total energy: -2340.092209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.092209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.968216 (E_RNA)
where:
Base-Base interactions energy: -1652.614
where: short stacking energy: -690.938
Base-Backbone interact. energy: -2.457
local terms energy: -696.897664
where:
bonds (distance) C4'-P energy: -114.399
bonds (distance) P-C4' energy: -111.438
flat angles C4'-P-C4' energy: -154.397
flat angles P-C4'-P energy: -90.615
tors. eta vs tors. theta energy: -226.049
Dist. restrs. and SS energy: 11.876 (S_DIST_RNA)
chem. 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: -2236.934308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.934308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.652187 (E_RNA)
where:
Base-Base interactions energy: -1600.752
where: short stacking energy: -640.560
Base-Backbone interact. energy: 0.157
local terms energy: -642.057466
where:
bonds (distance) C4'-P energy: -113.946
bonds (distance) P-C4' energy: -109.929
flat angles C4'-P-C4' energy: -133.424
flat angles P-C4'-P energy: -85.079
tors. eta vs tors. theta energy: -199.680
Dist. restrs. and SS energy: 5.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -2129.000420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.000420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.657932 (E_RNA)
where:
Base-Base interactions energy: -1511.921
where: short stacking energy: -613.169
Base-Backbone interact. energy: 0.478
local terms energy: -633.215518
where:
bonds (distance) C4'-P energy: -119.863
bonds (distance) P-C4' energy: -111.259
flat angles C4'-P-C4' energy: -142.309
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -187.082
Dist. restrs. and SS energy: 15.658 (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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1944.625287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.625287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.016536 (E_RNA)
where:
Base-Base interactions energy: -1403.171
where: short stacking energy: -564.351
Base-Backbone interact. energy: 0.722
local terms energy: -573.567646
where:
bonds (distance) C4'-P energy: -99.300
bonds (distance) P-C4' energy: -104.106
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -84.569
tors. eta vs tors. theta energy: -163.126
Dist. restrs. and SS energy: 31.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2800.736406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.736406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.423852 (E_RNA)
where:
Base-Base interactions energy: -1999.676
where: short stacking energy: -810.418
Base-Backbone interact. energy: 2.286
local terms energy: -808.033588
where:
bonds (distance) C4'-P energy: -147.488
bonds (distance) P-C4' energy: -127.253
flat angles C4'-P-C4' energy: -171.109
flat angles P-C4'-P energy: -117.051
tors. eta vs tors. theta energy: -245.133
Dist. restrs. and SS energy: 4.687 (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: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2742.506701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.506701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.600925 (E_RNA)
where:
Base-Base interactions energy: -1937.427
where: short stacking energy: -781.097
Base-Backbone interact. energy: -2.813
local terms energy: -809.360677
where:
bonds (distance) C4'-P energy: -142.536
bonds (distance) P-C4' energy: -124.947
flat angles C4'-P-C4' energy: -173.776
flat angles P-C4'-P energy: -116.176
tors. eta vs tors. theta energy: -251.927
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: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2666.041226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.806206 (E_RNA)
where:
Base-Base interactions energy: -1879.654
where: short stacking energy: -784.913
Base-Backbone interact. energy: -1.230
local terms energy: -795.921751
where:
bonds (distance) C4'-P energy: -135.598
bonds (distance) P-C4' energy: -138.967
flat angles C4'-P-C4' energy: -172.517
flat angles P-C4'-P energy: -107.590
tors. eta vs tors. theta energy: -241.250
Dist. restrs. and SS energy: 10.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2570.658778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.658778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.026933 (E_RNA)
where:
Base-Base interactions energy: -1824.302
where: short stacking energy: -728.335
Base-Backbone interact. energy: 0.563
local terms energy: -755.287793
where:
bonds (distance) C4'-P energy: -131.469
bonds (distance) P-C4' energy: -135.617
flat angles C4'-P-C4' energy: -157.198
flat angles P-C4'-P energy: -103.258
tors. eta vs tors. theta energy: -227.747
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: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2541.993391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.993391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.250194 (E_RNA)
where:
Base-Base interactions energy: -1790.014
where: short stacking energy: -718.292
Base-Backbone interact. energy: -0.429
local terms energy: -758.806638
where:
bonds (distance) C4'-P energy: -139.163
bonds (distance) P-C4' energy: -138.785
flat angles C4'-P-C4' energy: -159.282
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -219.078
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: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2453.363452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.363452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.018478 (E_RNA)
where:
Base-Base interactions energy: -1763.791
where: short stacking energy: -706.155
Base-Backbone interact. energy: -4.536
local terms energy: -688.691650
where:
bonds (distance) C4'-P energy: -115.822
bonds (distance) P-C4' energy: -108.667
flat angles C4'-P-C4' energy: -149.815
flat angles P-C4'-P energy: -96.439
tors. eta vs tors. theta energy: -217.948
Dist. restrs. and SS energy: 3.655 (S_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: 452
Temperature: 1.200000
Total energy: -2316.424821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.424821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.408520 (E_RNA)
where:
Base-Base interactions energy: -1685.040
where: short stacking energy: -692.335
Base-Backbone interact. energy: 7.261
local terms energy: -650.629445
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -127.204
flat angles C4'-P-C4' energy: -138.859
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -203.779
Dist. restrs. and SS energy: 11.984 (S_DIST_RNA)
chem. 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: -2233.130872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.130872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.945649 (E_RNA)
where:
Base-Base interactions energy: -1584.584
where: short stacking energy: -645.527
Base-Backbone interact. energy: -1.906
local terms energy: -653.455867
where:
bonds (distance) C4'-P energy: -110.438
bonds (distance) P-C4' energy: -115.988
flat angles C4'-P-C4' energy: -133.201
flat angles P-C4'-P energy: -87.413
tors. eta vs tors. theta energy: -206.416
Dist. restrs. and SS energy: 6.815 (S_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: 452
Temperature: 1.300000
Total energy: -2116.269578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.269578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.491216 (E_RNA)
where:
Base-Base interactions energy: -1487.386
where: short stacking energy: -594.014
Base-Backbone interact. energy: -4.380
local terms energy: -635.725702
where:
bonds (distance) C4'-P energy: -109.154
bonds (distance) P-C4' energy: -115.885
flat angles C4'-P-C4' energy: -131.460
flat angles P-C4'-P energy: -88.856
tors. eta vs tors. theta energy: -190.371
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1957.604035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.604035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.077235 (E_RNA)
where:
Base-Base interactions energy: -1378.221
where: short stacking energy: -566.208
Base-Backbone interact. energy: -2.000
local terms energy: -594.855479
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -132.767
flat angles P-C4'-P energy: -67.163
tors. eta vs tors. theta energy: -168.587
Dist. restrs. and SS energy: 17.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2794.172728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.172728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.034120 (E_RNA)
where:
Base-Base interactions energy: -1971.236
where: short stacking energy: -822.319
Base-Backbone interact. energy: -1.801
local terms energy: -823.997103
where:
bonds (distance) C4'-P energy: -134.196
bonds (distance) P-C4' energy: -145.865
flat angles C4'-P-C4' energy: -165.425
flat angles P-C4'-P energy: -125.088
tors. eta vs tors. theta energy: -253.423
Dist. restrs. and SS energy: 2.861 (S_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: 453
Temperature: 0.950000
Total energy: -2742.640632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.640632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.358450 (E_RNA)
where:
Base-Base interactions energy: -1943.259
where: short stacking energy: -789.434
Base-Backbone interact. energy: -1.041
local terms energy: -804.058528
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -138.037
flat angles C4'-P-C4' energy: -167.422
flat angles P-C4'-P energy: -118.713
tors. eta vs tors. theta energy: -238.667
Dist. restrs. and SS energy: 5.718 (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: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2658.607884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.607884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.570596 (E_RNA)
where:
Base-Base interactions energy: -1877.750
where: short stacking energy: -774.958
Base-Backbone interact. energy: 0.572
local terms energy: -789.392746
where:
bonds (distance) C4'-P energy: -135.206
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -162.694
flat angles P-C4'-P energy: -104.274
tors. eta vs tors. theta energy: -247.368
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: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2547.493424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.493424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.016417 (E_RNA)
where:
Base-Base interactions energy: -1816.592
where: short stacking energy: -744.043
Base-Backbone interact. energy: -0.056
local terms energy: -739.368449
where:
bonds (distance) C4'-P energy: -123.850
bonds (distance) P-C4' energy: -129.402
flat angles C4'-P-C4' energy: -148.952
flat angles P-C4'-P energy: -102.118
tors. eta vs tors. theta energy: -235.046
Dist. restrs. and SS energy: 8.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2560.440230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.046428 (E_RNA)
where:
Base-Base interactions energy: -1834.695
where: short stacking energy: -742.130
Base-Backbone interact. energy: -1.946
local terms energy: -729.405450
where:
bonds (distance) C4'-P energy: -105.402
bonds (distance) P-C4' energy: -126.438
flat angles C4'-P-C4' energy: -164.818
flat angles P-C4'-P energy: -104.148
tors. eta vs tors. theta energy: -228.600
Dist. restrs. and SS energy: 5.606 (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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2450.380120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.380120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.535643 (E_RNA)
where:
Base-Base interactions energy: -1732.979
where: short stacking energy: -709.022
Base-Backbone interact. energy: -2.021
local terms energy: -721.535584
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -128.852
flat angles C4'-P-C4' energy: -154.016
flat angles P-C4'-P energy: -102.703
tors. eta vs tors. theta energy: -218.255
Dist. restrs. and SS energy: 6.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2358.562594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.562594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.312553 (E_RNA)
where:
Base-Base interactions energy: -1665.691
where: short stacking energy: -671.413
Base-Backbone interact. energy: -1.277
local terms energy: -701.344772
where:
bonds (distance) C4'-P energy: -107.133
bonds (distance) P-C4' energy: -125.040
flat angles C4'-P-C4' energy: -145.442
flat angles P-C4'-P energy: -107.302
tors. eta vs tors. theta energy: -216.428
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: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2279.144000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.144000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.451225 (E_RNA)
where:
Base-Base interactions energy: -1619.995
where: short stacking energy: -651.645
Base-Backbone interact. energy: -3.590
local terms energy: -662.866254
where:
bonds (distance) C4'-P energy: -113.904
bonds (distance) P-C4' energy: -92.675
flat angles C4'-P-C4' energy: -152.292
flat angles P-C4'-P energy: -99.945
tors. eta vs tors. theta energy: -204.050
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: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -2193.072486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.072486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.545116 (E_RNA)
where:
Base-Base interactions energy: -1573.901
where: short stacking energy: -638.440
Base-Backbone interact. energy: 0.110
local terms energy: -635.754194
where:
bonds (distance) C4'-P energy: -111.370
bonds (distance) P-C4' energy: -112.887
flat angles C4'-P-C4' energy: -142.446
flat angles P-C4'-P energy: -75.717
tors. eta vs tors. theta energy: -193.334
Dist. restrs. and SS energy: 16.473 (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: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -2018.702648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.702648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.677978 (E_RNA)
where:
Base-Base interactions energy: -1427.231
where: short stacking energy: -573.882
Base-Backbone interact. energy: -1.355
local terms energy: -615.092522
where:
bonds (distance) C4'-P energy: -115.488
bonds (distance) P-C4' energy: -103.504
flat angles C4'-P-C4' energy: -144.275
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -170.198
Dist. restrs. and SS energy: 24.975 (S_DIST_RNA)
chem. 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: -2786.951968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.951968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.863141 (E_RNA)
where:
Base-Base interactions energy: -1961.731
where: short stacking energy: -795.086
Base-Backbone interact. energy: -0.638
local terms energy: -831.494701
where:
bonds (distance) C4'-P energy: -156.708
bonds (distance) P-C4' energy: -147.465
flat angles C4'-P-C4' energy: -163.922
flat angles P-C4'-P energy: -114.686
tors. eta vs tors. theta energy: -248.713
Dist. restrs. and SS energy: 6.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2758.463594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.463594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.560368 (E_RNA)
where:
Base-Base interactions energy: -1970.636
where: short stacking energy: -799.421
Base-Backbone interact. energy: -0.549
local terms energy: -789.376016
where:
bonds (distance) C4'-P energy: -141.895
bonds (distance) P-C4' energy: -127.528
flat angles C4'-P-C4' energy: -159.826
flat angles P-C4'-P energy: -116.897
tors. eta vs tors. theta energy: -243.229
Dist. restrs. and SS energy: 2.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2642.265675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.265675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.374815 (E_RNA)
where:
Base-Base interactions energy: -1876.713
where: short stacking energy: -783.155
Base-Backbone interact. energy: 2.629
local terms energy: -776.290418
where:
bonds (distance) C4'-P energy: -137.692
bonds (distance) P-C4' energy: -129.611
flat angles C4'-P-C4' energy: -151.472
flat angles P-C4'-P energy: -109.737
tors. eta vs tors. theta energy: -247.778
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: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2569.514642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.514642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.630016 (E_RNA)
where:
Base-Base interactions energy: -1804.231
where: short stacking energy: -738.058
Base-Backbone interact. energy: -2.698
local terms energy: -770.701358
where:
bonds (distance) C4'-P energy: -132.951
bonds (distance) P-C4' energy: -140.283
flat angles C4'-P-C4' energy: -151.691
flat angles P-C4'-P energy: -114.110
tors. eta vs tors. theta energy: -231.666
Dist. restrs. and SS energy: 8.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2519.502382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.502382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.237779 (E_RNA)
where:
Base-Base interactions energy: -1802.060
where: short stacking energy: -730.082
Base-Backbone interact. energy: 4.266
local terms energy: -729.443561
where:
bonds (distance) C4'-P energy: -114.980
bonds (distance) P-C4' energy: -121.625
flat angles C4'-P-C4' energy: -157.105
flat angles P-C4'-P energy: -108.863
tors. eta vs tors. theta energy: -226.870
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2420.250143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.250143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.723990 (E_RNA)
where:
Base-Base interactions energy: -1746.502
where: short stacking energy: -687.932
Base-Backbone interact. energy: -2.735
local terms energy: -674.487092
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -131.484
flat angles C4'-P-C4' energy: -127.410
flat angles P-C4'-P energy: -98.128
tors. eta vs tors. theta energy: -215.347
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2287.859321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.859321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.682647 (E_RNA)
where:
Base-Base interactions energy: -1652.063
where: short stacking energy: -672.990
Base-Backbone interact. energy: -1.694
local terms energy: -641.926159
where:
bonds (distance) C4'-P energy: -104.767
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -123.792
flat angles P-C4'-P energy: -84.367
tors. eta vs tors. theta energy: -205.952
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: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2245.475219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.475219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.124266 (E_RNA)
where:
Base-Base interactions energy: -1619.956
where: short stacking energy: -655.099
Base-Backbone interact. energy: -1.879
local terms energy: -636.289776
where:
bonds (distance) C4'-P energy: -110.036
bonds (distance) P-C4' energy: -101.163
flat angles C4'-P-C4' energy: -137.179
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -210.145
Dist. restrs. and SS energy: 12.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -2202.648520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.648520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.142290 (E_RNA)
where:
Base-Base interactions energy: -1598.507
where: short stacking energy: -639.695
Base-Backbone interact. energy: 1.959
local terms energy: -619.594957
where:
bonds (distance) C4'-P energy: -101.259
bonds (distance) P-C4' energy: -119.265
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -74.706
tors. eta vs tors. theta energy: -188.948
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: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1981.872380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.872380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.465960 (E_RNA)
where:
Base-Base interactions energy: -1408.056
where: short stacking energy: -561.930
Base-Backbone interact. energy: 1.633
local terms energy: -600.043452
where:
bonds (distance) C4'-P energy: -104.313
bonds (distance) P-C4' energy: -109.064
flat angles C4'-P-C4' energy: -144.595
flat angles P-C4'-P energy: -77.335
tors. eta vs tors. theta energy: -164.737
Dist. restrs. and SS energy: 24.594 (S_DIST_RNA)
chem. 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: -2790.438551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.438551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.256120 (E_RNA)
where:
Base-Base interactions energy: -1985.038
where: short stacking energy: -815.423
Base-Backbone interact. energy: 3.037
local terms energy: -815.255946
where:
bonds (distance) C4'-P energy: -151.768
bonds (distance) P-C4' energy: -142.269
flat angles C4'-P-C4' energy: -159.010
flat angles P-C4'-P energy: -111.029
tors. eta vs tors. theta energy: -251.181
Dist. restrs. and SS energy: 6.818 (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: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2721.367619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.367619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.757166 (E_RNA)
where:
Base-Base interactions energy: -1946.305
where: short stacking energy: -796.549
Base-Backbone interact. energy: -5.290
local terms energy: -773.162635
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -133.416
flat angles C4'-P-C4' energy: -167.102
flat angles P-C4'-P energy: -107.770
tors. eta vs tors. theta energy: -243.764
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2632.350531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.350531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.101526 (E_RNA)
where:
Base-Base interactions energy: -1861.921
where: short stacking energy: -755.159
Base-Backbone interact. energy: -0.580
local terms energy: -781.600389
where:
bonds (distance) C4'-P energy: -125.320
bonds (distance) P-C4' energy: -132.464
flat angles C4'-P-C4' energy: -162.740
flat angles P-C4'-P energy: -118.950
tors. eta vs tors. theta energy: -242.127
Dist. restrs. and SS energy: 11.751 (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: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2606.832011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.832011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.447153 (E_RNA)
where:
Base-Base interactions energy: -1834.599
where: short stacking energy: -750.242
Base-Backbone interact. energy: -2.227
local terms energy: -778.621299
where:
bonds (distance) C4'-P energy: -131.077
bonds (distance) P-C4' energy: -135.377
flat angles C4'-P-C4' energy: -160.830
flat angles P-C4'-P energy: -114.784
tors. eta vs tors. theta energy: -236.553
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: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2485.775304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.775304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.194835 (E_RNA)
where:
Base-Base interactions energy: -1789.836
where: short stacking energy: -738.568
Base-Backbone interact. energy: 1.651
local terms energy: -705.010027
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -127.130
flat angles C4'-P-C4' energy: -134.617
flat angles P-C4'-P energy: -94.948
tors. eta vs tors. theta energy: -228.936
Dist. restrs. and SS energy: 7.420 (S_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: 455
Temperature: 1.150000
Total energy: -2428.805391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.805391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.393759 (E_RNA)
where:
Base-Base interactions energy: -1722.343
where: short stacking energy: -684.436
Base-Backbone interact. energy: -1.618
local terms energy: -710.432458
where:
bonds (distance) C4'-P energy: -138.371
bonds (distance) P-C4' energy: -110.549
flat angles C4'-P-C4' energy: -139.810
flat angles P-C4'-P energy: -108.434
tors. eta vs tors. theta energy: -213.269
Dist. restrs. and SS energy: 5.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2279.203990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.203990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.767420 (E_RNA)
where:
Base-Base interactions energy: -1600.148
where: short stacking energy: -650.046
Base-Backbone interact. energy: 0.139
local terms energy: -685.758515
where:
bonds (distance) C4'-P energy: -123.570
bonds (distance) P-C4' energy: -111.354
flat angles C4'-P-C4' energy: -154.296
flat angles P-C4'-P energy: -90.762
tors. eta vs tors. theta energy: -205.777
Dist. restrs. and SS energy: 6.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2191.040411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.040411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.207260 (E_RNA)
where:
Base-Base interactions energy: -1601.462
where: short stacking energy: -625.966
Base-Backbone interact. energy: 1.865
local terms energy: -610.609812
where:
bonds (distance) C4'-P energy: -93.604
bonds (distance) P-C4' energy: -107.554
flat angles C4'-P-C4' energy: -134.366
flat angles P-C4'-P energy: -80.960
tors. eta vs tors. theta energy: -194.125
Dist. restrs. and SS energy: 19.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -2205.055045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.055045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.469119 (E_RNA)
where:
Base-Base interactions energy: -1584.611
where: short stacking energy: -650.038
Base-Backbone interact. energy: -0.880
local terms energy: -627.977981
where:
bonds (distance) C4'-P energy: -121.991
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -131.701
flat angles P-C4'-P energy: -78.348
tors. eta vs tors. theta energy: -203.094
Dist. restrs. and SS energy: 8.414 (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: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1999.853237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.853237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.147986 (E_RNA)
where:
Base-Base interactions energy: -1427.758
where: short stacking energy: -573.268
Base-Backbone interact. energy: 4.320
local terms energy: -597.709709
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -95.384
flat angles C4'-P-C4' energy: -129.592
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -176.225
Dist. restrs. and SS energy: 21.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2810.505802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.505802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.144010 (E_RNA)
where:
Base-Base interactions energy: -2007.239
where: short stacking energy: -831.038
Base-Backbone interact. energy: -1.161
local terms energy: -809.743817
where:
bonds (distance) C4'-P energy: -128.383
bonds (distance) P-C4' energy: -133.320
flat angles C4'-P-C4' energy: -164.915
flat angles P-C4'-P energy: -121.538
tors. eta vs tors. theta energy: -261.587
Dist. restrs. and SS energy: 7.638 (S_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: 456
Temperature: 0.950000
Total energy: -2735.306335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.306335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.598634 (E_RNA)
where:
Base-Base interactions energy: -1957.667
where: short stacking energy: -805.362
Base-Backbone interact. energy: -0.110
local terms energy: -780.821649
where:
bonds (distance) C4'-P energy: -129.829
bonds (distance) P-C4' energy: -135.627
flat angles C4'-P-C4' energy: -159.863
flat angles P-C4'-P energy: -111.133
tors. eta vs tors. theta energy: -244.370
Dist. restrs. and SS energy: 3.292 (S_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: 456
Temperature: 1.000000
Total energy: -2670.665963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.665963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.328817 (E_RNA)
where:
Base-Base interactions energy: -1881.205
where: short stacking energy: -772.533
Base-Backbone interact. energy: -2.070
local terms energy: -797.054118
where:
bonds (distance) C4'-P energy: -146.459
bonds (distance) P-C4' energy: -143.917
flat angles C4'-P-C4' energy: -147.691
flat angles P-C4'-P energy: -114.208
tors. eta vs tors. theta energy: -244.779
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: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2572.417016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.417016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.566899 (E_RNA)
where:
Base-Base interactions energy: -1824.080
where: short stacking energy: -747.512
Base-Backbone interact. energy: -2.413
local terms energy: -755.073111
where:
bonds (distance) C4'-P energy: -143.186
bonds (distance) P-C4' energy: -115.742
flat angles C4'-P-C4' energy: -159.482
flat angles P-C4'-P energy: -99.122
tors. eta vs tors. theta energy: -237.541
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: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2472.971193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.971193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.923917 (E_RNA)
where:
Base-Base interactions energy: -1723.993
where: short stacking energy: -699.737
Base-Backbone interact. energy: -4.844
local terms energy: -750.086981
where:
bonds (distance) C4'-P energy: -124.700
bonds (distance) P-C4' energy: -137.106
flat angles C4'-P-C4' energy: -159.070
flat angles P-C4'-P energy: -109.554
tors. eta vs tors. theta energy: -219.657
Dist. restrs. and SS energy: 5.953 (S_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: 456
Temperature: 1.150000
Total energy: -2426.949471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.949471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.834857 (E_RNA)
where:
Base-Base interactions energy: -1735.039
where: short stacking energy: -694.632
Base-Backbone interact. energy: -2.986
local terms energy: -698.809824
where:
bonds (distance) C4'-P energy: -116.996
bonds (distance) P-C4' energy: -119.049
flat angles C4'-P-C4' energy: -157.208
flat angles P-C4'-P energy: -90.471
tors. eta vs tors. theta energy: -215.086
Dist. restrs. and SS energy: 9.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2300.497425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.497425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.169396 (E_RNA)
where:
Base-Base interactions energy: -1676.232
where: short stacking energy: -680.207
Base-Backbone interact. energy: -1.722
local terms energy: -629.215589
where:
bonds (distance) C4'-P energy: -98.588
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -137.959
flat angles P-C4'-P energy: -89.385
tors. eta vs tors. theta energy: -205.799
Dist. restrs. and SS energy: 6.672 (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: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2218.591945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.591945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.415093 (E_RNA)
where:
Base-Base interactions energy: -1600.063
where: short stacking energy: -623.235
Base-Backbone interact. energy: -0.090
local terms energy: -634.262034
where:
bonds (distance) C4'-P energy: -101.753
bonds (distance) P-C4' energy: -114.259
flat angles C4'-P-C4' energy: -141.527
flat angles P-C4'-P energy: -93.077
tors. eta vs tors. theta energy: -183.646
Dist. restrs. and SS energy: 15.823 (S_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: -2179.902920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.902920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.955802 (E_RNA)
where:
Base-Base interactions energy: -1579.445
where: short stacking energy: -632.913
Base-Backbone interact. energy: -0.090
local terms energy: -609.420752
where:
bonds (distance) C4'-P energy: -91.552
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -132.803
flat angles P-C4'-P energy: -96.917
tors. eta vs tors. theta energy: -188.193
Dist. restrs. and SS energy: 9.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -2028.562150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.562150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.457351 (E_RNA)
where:
Base-Base interactions energy: -1484.685
where: short stacking energy: -576.696
Base-Backbone interact. energy: 1.336
local terms energy: -565.108999
where:
bonds (distance) C4'-P energy: -98.161
bonds (distance) P-C4' energy: -113.667
flat angles C4'-P-C4' energy: -112.230
flat angles P-C4'-P energy: -68.796
tors. eta vs tors. theta energy: -172.255
Dist. restrs. and SS energy: 19.895 (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: 457
Temperature: 0.900000
Total energy: -2780.740475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.740475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.677595 (E_RNA)
where:
Base-Base interactions energy: -1977.821
where: short stacking energy: -799.336
Base-Backbone interact. energy: -2.851
local terms energy: -807.005738
where:
bonds (distance) C4'-P energy: -134.741
bonds (distance) P-C4' energy: -147.350
flat angles C4'-P-C4' energy: -164.377
flat angles P-C4'-P energy: -110.657
tors. eta vs tors. theta energy: -249.881
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2743.627804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.627804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.946922 (E_RNA)
where:
Base-Base interactions energy: -1937.291
where: short stacking energy: -785.370
Base-Backbone interact. energy: 2.011
local terms energy: -813.666597
where:
bonds (distance) C4'-P energy: -143.101
bonds (distance) P-C4' energy: -140.192
flat angles C4'-P-C4' energy: -174.495
flat angles P-C4'-P energy: -110.758
tors. eta vs tors. theta energy: -245.121
Dist. restrs. and SS energy: 5.319 (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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2663.952840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.952840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.892122 (E_RNA)
where:
Base-Base interactions energy: -1879.613
where: short stacking energy: -778.984
Base-Backbone interact. energy: -3.421
local terms energy: -788.858131
where:
bonds (distance) C4'-P energy: -127.697
bonds (distance) P-C4' energy: -144.207
flat angles C4'-P-C4' energy: -150.645
flat angles P-C4'-P energy: -116.716
tors. eta vs tors. theta energy: -249.592
Dist. restrs. and SS energy: 7.939 (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: 457
Temperature: 1.050000
Total energy: -2566.309287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.309287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.179322 (E_RNA)
where:
Base-Base interactions energy: -1833.772
where: short stacking energy: -740.208
Base-Backbone interact. energy: -1.309
local terms energy: -740.098351
where:
bonds (distance) C4'-P energy: -123.363
bonds (distance) P-C4' energy: -109.056
flat angles C4'-P-C4' energy: -156.658
flat angles P-C4'-P energy: -112.015
tors. eta vs tors. theta energy: -239.006
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: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2476.936227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.936227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.413622 (E_RNA)
where:
Base-Base interactions energy: -1762.657
where: short stacking energy: -717.883
Base-Backbone interact. energy: -3.457
local terms energy: -714.300313
where:
bonds (distance) C4'-P energy: -141.750
bonds (distance) P-C4' energy: -117.890
flat angles C4'-P-C4' energy: -141.508
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -212.105
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: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2488.601550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.601550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.291777 (E_RNA)
where:
Base-Base interactions energy: -1753.378
where: short stacking energy: -727.635
Base-Backbone interact. energy: 2.624
local terms energy: -746.538000
where:
bonds (distance) C4'-P energy: -113.010
bonds (distance) P-C4' energy: -141.631
flat angles C4'-P-C4' energy: -152.823
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -230.507
Dist. restrs. and SS energy: 8.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2361.944661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.944661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.748283 (E_RNA)
where:
Base-Base interactions energy: -1695.247
where: short stacking energy: -696.900
Base-Backbone interact. energy: 1.946
local terms energy: -677.446720
where:
bonds (distance) C4'-P energy: -117.458
bonds (distance) P-C4' energy: -126.549
flat angles C4'-P-C4' energy: -133.119
flat angles P-C4'-P energy: -85.837
tors. eta vs tors. theta energy: -214.485
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2281.103901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.103901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.358872 (E_RNA)
where:
Base-Base interactions energy: -1653.604
where: short stacking energy: -654.709
Base-Backbone interact. energy: 4.072
local terms energy: -645.826849
where:
bonds (distance) C4'-P energy: -109.557
bonds (distance) P-C4' energy: -121.315
flat angles C4'-P-C4' energy: -143.710
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -197.539
Dist. restrs. and SS energy: 14.255 (S_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: -2179.953923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.953923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.045990 (E_RNA)
where:
Base-Base interactions energy: -1589.855
where: short stacking energy: -618.794
Base-Backbone interact. energy: -2.802
local terms energy: -596.389015
where:
bonds (distance) C4'-P energy: -94.355
bonds (distance) P-C4' energy: -95.535
flat angles C4'-P-C4' energy: -135.439
flat angles P-C4'-P energy: -83.442
tors. eta vs tors. theta energy: -187.618
Dist. restrs. and SS energy: 9.092 (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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -2023.477727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.477727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.843676 (E_RNA)
where:
Base-Base interactions energy: -1430.689
where: short stacking energy: -566.836
Base-Backbone interact. energy: -1.684
local terms energy: -611.470953
where:
bonds (distance) C4'-P energy: -103.985
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -142.292
flat angles P-C4'-P energy: -83.573
tors. eta vs tors. theta energy: -176.627
Dist. restrs. and SS energy: 20.366 (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: 458
Temperature: 0.900000
Total energy: -2779.794738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.794738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.597418 (E_RNA)
where:
Base-Base interactions energy: -1973.644
where: short stacking energy: -808.727
Base-Backbone interact. energy: -0.950
local terms energy: -812.002818
where:
bonds (distance) C4'-P energy: -127.971
bonds (distance) P-C4' energy: -154.593
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -117.586
tors. eta vs tors. theta energy: -250.229
Dist. restrs. and SS energy: 6.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2703.752941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.752941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.438850 (E_RNA)
where:
Base-Base interactions energy: -1917.139
where: short stacking energy: -769.843
Base-Backbone interact. energy: -2.608
local terms energy: -786.691860
where:
bonds (distance) C4'-P energy: -132.010
bonds (distance) P-C4' energy: -139.550
flat angles C4'-P-C4' energy: -168.762
flat angles P-C4'-P energy: -103.088
tors. eta vs tors. theta energy: -243.281
Dist. restrs. and SS energy: 2.686 (S_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: 458
Temperature: 1.000000
Total energy: -2640.980265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.980265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.077012 (E_RNA)
where:
Base-Base interactions energy: -1871.640
where: short stacking energy: -762.214
Base-Backbone interact. energy: -4.622
local terms energy: -772.814314
where:
bonds (distance) C4'-P energy: -122.402
bonds (distance) P-C4' energy: -145.875
flat angles C4'-P-C4' energy: -155.530
flat angles P-C4'-P energy: -110.398
tors. eta vs tors. theta energy: -238.608
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: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2567.108323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.108323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.385604 (E_RNA)
where:
Base-Base interactions energy: -1824.654
where: short stacking energy: -753.037
Base-Backbone interact. energy: 4.095
local terms energy: -755.826415
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -137.744
flat angles C4'-P-C4' energy: -162.959
flat angles P-C4'-P energy: -108.162
tors. eta vs tors. theta energy: -230.397
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2553.098093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.098093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.023959 (E_RNA)
where:
Base-Base interactions energy: -1818.250
where: short stacking energy: -766.363
Base-Backbone interact. energy: 0.518
local terms energy: -745.291979
where:
bonds (distance) C4'-P energy: -123.286
bonds (distance) P-C4' energy: -121.508
flat angles C4'-P-C4' energy: -147.944
flat angles P-C4'-P energy: -104.904
tors. eta vs tors. theta energy: -247.650
Dist. restrs. and SS energy: 9.926 (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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2478.415399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.415399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.606475 (E_RNA)
where:
Base-Base interactions energy: -1765.254
where: short stacking energy: -740.559
Base-Backbone interact. energy: 3.382
local terms energy: -725.734627
where:
bonds (distance) C4'-P energy: -121.895
bonds (distance) P-C4' energy: -126.756
flat angles C4'-P-C4' energy: -154.504
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -229.833
Dist. restrs. and SS energy: 9.191 (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: 458
Temperature: 1.200000
Total energy: -2342.523233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.523233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.574631 (E_RNA)
where:
Base-Base interactions energy: -1703.639
where: short stacking energy: -670.654
Base-Backbone interact. energy: 1.039
local terms energy: -652.974235
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -104.171
flat angles C4'-P-C4' energy: -132.128
flat angles P-C4'-P energy: -93.946
tors. eta vs tors. theta energy: -203.672
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: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2230.640275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.640275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.414774 (E_RNA)
where:
Base-Base interactions energy: -1589.880
where: short stacking energy: -648.847
Base-Backbone interact. energy: -2.302
local terms energy: -651.232889
where:
bonds (distance) C4'-P energy: -116.721
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -141.543
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -193.697
Dist. restrs. and SS energy: 12.774 (S_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: -2226.320743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.320743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.749927 (E_RNA)
where:
Base-Base interactions energy: -1619.769
where: short stacking energy: -646.311
Base-Backbone interact. energy: 2.403
local terms energy: -621.383777
where:
bonds (distance) C4'-P energy: -102.423
bonds (distance) P-C4' energy: -109.361
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -196.454
Dist. restrs. and SS energy: 12.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -2037.478548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.478548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.726491 (E_RNA)
where:
Base-Base interactions energy: -1438.107
where: short stacking energy: -575.144
Base-Backbone interact. energy: -1.174
local terms energy: -607.445278
where:
bonds (distance) C4'-P energy: -109.097
bonds (distance) P-C4' energy: -110.480
flat angles C4'-P-C4' energy: -133.552
flat angles P-C4'-P energy: -77.916
tors. eta vs tors. theta energy: -176.400
Dist. restrs. and SS energy: 9.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2778.965954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.965954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.654253 (E_RNA)
where:
Base-Base interactions energy: -1959.840
where: short stacking energy: -818.334
Base-Backbone interact. energy: -4.443
local terms energy: -822.371406
where:
bonds (distance) C4'-P energy: -154.730
bonds (distance) P-C4' energy: -140.451
flat angles C4'-P-C4' energy: -164.206
flat angles P-C4'-P energy: -117.678
tors. eta vs tors. theta energy: -245.305
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2702.548513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.548513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.304040 (E_RNA)
where:
Base-Base interactions energy: -1931.998
where: short stacking energy: -786.213
Base-Backbone interact. energy: -1.635
local terms energy: -776.670370
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -121.288
flat angles C4'-P-C4' energy: -163.227
flat angles P-C4'-P energy: -113.375
tors. eta vs tors. theta energy: -245.701
Dist. restrs. and SS energy: 7.756 (S_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: 459
Temperature: 1.000000
Total energy: -2660.459184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.459184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.585232 (E_RNA)
where:
Base-Base interactions energy: -1874.779
where: short stacking energy: -770.997
Base-Backbone interact. energy: -0.300
local terms energy: -794.506425
where:
bonds (distance) C4'-P energy: -141.514
bonds (distance) P-C4' energy: -131.631
flat angles C4'-P-C4' energy: -159.979
flat angles P-C4'-P energy: -116.331
tors. eta vs tors. theta energy: -245.051
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2636.930994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.930994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.558322 (E_RNA)
where:
Base-Base interactions energy: -1877.791
where: short stacking energy: -788.717
Base-Backbone interact. energy: 1.586
local terms energy: -770.352660
where:
bonds (distance) C4'-P energy: -130.304
bonds (distance) P-C4' energy: -127.093
flat angles C4'-P-C4' energy: -158.155
flat angles P-C4'-P energy: -103.316
tors. eta vs tors. theta energy: -251.485
Dist. restrs. and SS energy: 9.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2509.531851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.531851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.555867 (E_RNA)
where:
Base-Base interactions energy: -1778.125
where: short stacking energy: -738.913
Base-Backbone interact. energy: -3.331
local terms energy: -740.100191
where:
bonds (distance) C4'-P energy: -131.491
bonds (distance) P-C4' energy: -110.234
flat angles C4'-P-C4' energy: -156.364
flat angles P-C4'-P energy: -104.459
tors. eta vs tors. theta energy: -237.551
Dist. restrs. and SS energy: 12.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2446.839516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.839516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.668965 (E_RNA)
where:
Base-Base interactions energy: -1753.561
where: short stacking energy: -691.271
Base-Backbone interact. energy: -0.520
local terms energy: -698.587539
where:
bonds (distance) C4'-P energy: -114.389
bonds (distance) P-C4' energy: -114.331
flat angles C4'-P-C4' energy: -157.661
flat angles P-C4'-P energy: -92.532
tors. eta vs tors. theta energy: -219.674
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: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2410.894526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.894526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.776764 (E_RNA)
where:
Base-Base interactions energy: -1737.596
where: short stacking energy: -696.950
Base-Backbone interact. energy: 2.243
local terms energy: -688.423437
where:
bonds (distance) C4'-P energy: -102.378
bonds (distance) P-C4' energy: -133.318
flat angles C4'-P-C4' energy: -149.808
flat angles P-C4'-P energy: -95.949
tors. eta vs tors. theta energy: -206.971
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: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2293.140960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.140960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.696026 (E_RNA)
where:
Base-Base interactions energy: -1653.488
where: short stacking energy: -652.036
Base-Backbone interact. energy: -1.553
local terms energy: -654.654784
where:
bonds (distance) C4'-P energy: -95.441
bonds (distance) P-C4' energy: -117.437
flat angles C4'-P-C4' energy: -148.651
flat angles P-C4'-P energy: -85.981
tors. eta vs tors. theta energy: -207.146
Dist. restrs. and SS energy: 16.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -2181.590874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.590874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.657854 (E_RNA)
where:
Base-Base interactions energy: -1563.515
where: short stacking energy: -632.236
Base-Backbone interact. energy: -1.134
local terms energy: -623.009068
where:
bonds (distance) C4'-P energy: -110.555
bonds (distance) P-C4' energy: -114.745
flat angles C4'-P-C4' energy: -131.033
flat angles P-C4'-P energy: -84.341
tors. eta vs tors. theta energy: -182.336
Dist. restrs. and SS energy: 6.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -2079.001347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.001347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.911040 (E_RNA)
where:
Base-Base interactions energy: -1510.240
where: short stacking energy: -611.226
Base-Backbone interact. energy: 1.640
local terms energy: -585.311105
where:
bonds (distance) C4'-P energy: -99.041
bonds (distance) P-C4' energy: -88.174
flat angles C4'-P-C4' energy: -125.636
flat angles P-C4'-P energy: -85.469
tors. eta vs tors. theta energy: -186.991
Dist. restrs. and SS energy: 14.910 (S_DIST_RNA)
chem. 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: -2782.260994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.260994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.671741 (E_RNA)
where:
Base-Base interactions energy: -1978.196
where: short stacking energy: -801.385
Base-Backbone interact. energy: 0.391
local terms energy: -810.867113
where:
bonds (distance) C4'-P energy: -131.515
bonds (distance) P-C4' energy: -140.580
flat angles C4'-P-C4' energy: -170.970
flat angles P-C4'-P energy: -123.582
tors. eta vs tors. theta energy: -244.219
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2730.691840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.691840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.771897 (E_RNA)
where:
Base-Base interactions energy: -1926.842
where: short stacking energy: -803.459
Base-Backbone interact. energy: 0.316
local terms energy: -808.245256
where:
bonds (distance) C4'-P energy: -141.580
bonds (distance) P-C4' energy: -138.318
flat angles C4'-P-C4' energy: -164.077
flat angles P-C4'-P energy: -116.633
tors. eta vs tors. theta energy: -247.637
Dist. restrs. and SS energy: 4.080 (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: 460
Temperature: 1.000000
Total energy: -2665.293558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.293558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.275854 (E_RNA)
where:
Base-Base interactions energy: -1906.121
where: short stacking energy: -784.826
Base-Backbone interact. energy: -2.537
local terms energy: -763.617676
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -121.737
flat angles C4'-P-C4' energy: -170.440
flat angles P-C4'-P energy: -101.155
tors. eta vs tors. theta energy: -242.952
Dist. restrs. and SS energy: 6.982 (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: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2591.284905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.284905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.539285 (E_RNA)
where:
Base-Base interactions energy: -1839.692
where: short stacking energy: -760.536
Base-Backbone interact. energy: -2.335
local terms energy: -757.511996
where:
bonds (distance) C4'-P energy: -105.736
bonds (distance) P-C4' energy: -138.222
flat angles C4'-P-C4' energy: -154.606
flat angles P-C4'-P energy: -112.909
tors. eta vs tors. theta energy: -246.040
Dist. restrs. and SS energy: 8.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2494.344676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.344676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.901920 (E_RNA)
where:
Base-Base interactions energy: -1804.545
where: short stacking energy: -724.449
Base-Backbone interact. energy: -1.591
local terms energy: -701.765943
where:
bonds (distance) C4'-P energy: -104.585
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -167.341
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -227.599
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: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2419.256066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.256066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.217173 (E_RNA)
where:
Base-Base interactions energy: -1722.220
where: short stacking energy: -701.614
Base-Backbone interact. energy: -3.803
local terms energy: -697.194146
where:
bonds (distance) C4'-P energy: -123.794
bonds (distance) P-C4' energy: -122.113
flat angles C4'-P-C4' energy: -145.606
flat angles P-C4'-P energy: -85.024
tors. eta vs tors. theta energy: -220.657
Dist. restrs. and SS energy: 3.961 (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: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2403.088842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.088842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.262851 (E_RNA)
where:
Base-Base interactions energy: -1731.571
where: short stacking energy: -695.138
Base-Backbone interact. energy: -1.384
local terms energy: -683.307689
where:
bonds (distance) C4'-P energy: -131.142
bonds (distance) P-C4' energy: -98.570
flat angles C4'-P-C4' energy: -148.412
flat angles P-C4'-P energy: -89.413
tors. eta vs tors. theta energy: -215.771
Dist. restrs. and SS energy: 13.174 (S_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: 460
Temperature: 1.250000
Total energy: -2234.902579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.902579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.695313 (E_RNA)
where:
Base-Base interactions energy: -1615.147
where: short stacking energy: -634.597
Base-Backbone interact. energy: -4.554
local terms energy: -622.994491
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -111.730
flat angles C4'-P-C4' energy: -145.559
flat angles P-C4'-P energy: -67.040
tors. eta vs tors. theta energy: -193.253
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: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -2199.417677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.417677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.764654 (E_RNA)
where:
Base-Base interactions energy: -1553.812
where: short stacking energy: -599.318
Base-Backbone interact. energy: -0.352
local terms energy: -654.600132
where:
bonds (distance) C4'-P energy: -115.474
bonds (distance) P-C4' energy: -106.023
flat angles C4'-P-C4' energy: -147.736
flat angles P-C4'-P energy: -99.685
tors. eta vs tors. theta energy: -185.682
Dist. restrs. and SS energy: 9.347 (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: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -2052.653525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.653525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.295627 (E_RNA)
where:
Base-Base interactions energy: -1455.538
where: short stacking energy: -549.520
Base-Backbone interact. energy: -3.221
local terms energy: -603.537419
where:
bonds (distance) C4'-P energy: -102.905
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -130.503
flat angles P-C4'-P energy: -84.319
tors. eta vs tors. theta energy: -170.317
Dist. restrs. and SS energy: 9.642 (S_DIST_RNA)
chem. 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: -2775.919511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.919511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.953304 (E_RNA)
where:
Base-Base interactions energy: -1976.744
where: short stacking energy: -804.927
Base-Backbone interact. energy: -0.848
local terms energy: -805.361161
where:
bonds (distance) C4'-P energy: -138.050
bonds (distance) P-C4' energy: -143.453
flat angles C4'-P-C4' energy: -165.291
flat angles P-C4'-P energy: -110.779
tors. eta vs tors. theta energy: -247.789
Dist. restrs. and SS energy: 7.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2705.070406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.070406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.195189 (E_RNA)
where:
Base-Base interactions energy: -1904.848
where: short stacking energy: -783.391
Base-Backbone interact. energy: -2.744
local terms energy: -802.603057
where:
bonds (distance) C4'-P energy: -131.802
bonds (distance) P-C4' energy: -138.212
flat angles C4'-P-C4' energy: -164.118
flat angles P-C4'-P energy: -117.111
tors. eta vs tors. theta energy: -251.360
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: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2629.466926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.466926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.763330 (E_RNA)
where:
Base-Base interactions energy: -1876.081
where: short stacking energy: -757.042
Base-Backbone interact. energy: 0.626
local terms energy: -758.307915
where:
bonds (distance) C4'-P energy: -123.780
bonds (distance) P-C4' energy: -144.530
flat angles C4'-P-C4' energy: -153.261
flat angles P-C4'-P energy: -99.557
tors. eta vs tors. theta energy: -237.180
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2602.715210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.715210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.221862 (E_RNA)
where:
Base-Base interactions energy: -1846.421
where: short stacking energy: -756.052
Base-Backbone interact. energy: -2.650
local terms energy: -762.150768
where:
bonds (distance) C4'-P energy: -122.931
bonds (distance) P-C4' energy: -111.195
flat angles C4'-P-C4' energy: -172.993
flat angles P-C4'-P energy: -112.511
tors. eta vs tors. theta energy: -242.521
Dist. restrs. and SS energy: 8.507 (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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2504.611675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.611675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.272747 (E_RNA)
where:
Base-Base interactions energy: -1803.945
where: short stacking energy: -735.246
Base-Backbone interact. energy: -2.944
local terms energy: -713.384424
where:
bonds (distance) C4'-P energy: -110.966
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -161.131
flat angles P-C4'-P energy: -104.600
tors. eta vs tors. theta energy: -215.491
Dist. restrs. and SS energy: 15.661 (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: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2443.674193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.674193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.133946 (E_RNA)
where:
Base-Base interactions energy: -1765.630
where: short stacking energy: -699.960
Base-Backbone interact. energy: -1.138
local terms energy: -688.366291
where:
bonds (distance) C4'-P energy: -119.975
bonds (distance) P-C4' energy: -123.702
flat angles C4'-P-C4' energy: -141.008
flat angles P-C4'-P energy: -94.708
tors. eta vs tors. theta energy: -208.975
Dist. restrs. and SS energy: 11.460 (S_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: 461
Temperature: 1.200000
Total energy: -2376.738139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.738139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.390235 (E_RNA)
where:
Base-Base interactions energy: -1711.604
where: short stacking energy: -687.250
Base-Backbone interact. energy: -2.410
local terms energy: -667.376097
where:
bonds (distance) C4'-P energy: -114.926
bonds (distance) P-C4' energy: -120.624
flat angles C4'-P-C4' energy: -132.987
flat angles P-C4'-P energy: -90.435
tors. eta vs tors. theta energy: -208.404
Dist. restrs. and SS energy: 4.652 (S_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: 461
Temperature: 1.250000
Total energy: -2231.826424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.826424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.578545 (E_RNA)
where:
Base-Base interactions energy: -1593.032
where: short stacking energy: -624.736
Base-Backbone interact. energy: -1.776
local terms energy: -643.771343
where:
bonds (distance) C4'-P energy: -96.118
bonds (distance) P-C4' energy: -120.766
flat angles C4'-P-C4' energy: -144.726
flat angles P-C4'-P energy: -93.294
tors. eta vs tors. theta energy: -188.867
Dist. restrs. and SS energy: 6.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -2190.758059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.758059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.691793 (E_RNA)
where:
Base-Base interactions energy: -1553.521
where: short stacking energy: -625.304
Base-Backbone interact. energy: 0.416
local terms energy: -649.587236
where:
bonds (distance) C4'-P energy: -139.424
bonds (distance) P-C4' energy: -102.805
flat angles C4'-P-C4' energy: -142.240
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -198.554
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: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -2064.994969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.994969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.724028 (E_RNA)
where:
Base-Base interactions energy: -1491.654
where: short stacking energy: -567.099
Base-Backbone interact. energy: -3.028
local terms energy: -586.042580
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -93.412
flat angles C4'-P-C4' energy: -134.734
flat angles P-C4'-P energy: -95.252
tors. eta vs tors. theta energy: -173.120
Dist. restrs. and SS energy: 15.729 (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: 462
Temperature: 0.900000
Total energy: -2791.587027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.587027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.281946 (E_RNA)
where:
Base-Base interactions energy: -1980.272
where: short stacking energy: -815.559
Base-Backbone interact. energy: -0.669
local terms energy: -818.341608
where:
bonds (distance) C4'-P energy: -143.122
bonds (distance) P-C4' energy: -148.399
flat angles C4'-P-C4' energy: -161.146
flat angles P-C4'-P energy: -115.664
tors. eta vs tors. theta energy: -250.011
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2714.169766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.169766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.797527 (E_RNA)
where:
Base-Base interactions energy: -1925.441
where: short stacking energy: -780.407
Base-Backbone interact. energy: -0.618
local terms energy: -792.738575
where:
bonds (distance) C4'-P energy: -138.109
bonds (distance) P-C4' energy: -137.935
flat angles C4'-P-C4' energy: -158.019
flat angles P-C4'-P energy: -116.538
tors. eta vs tors. theta energy: -242.138
Dist. restrs. and SS energy: 4.628 (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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2637.117655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.117655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.644567 (E_RNA)
where:
Base-Base interactions energy: -1877.038
where: short stacking energy: -772.964
Base-Backbone interact. energy: 2.618
local terms energy: -767.224743
where:
bonds (distance) C4'-P energy: -130.371
bonds (distance) P-C4' energy: -128.237
flat angles C4'-P-C4' energy: -154.820
flat angles P-C4'-P energy: -111.980
tors. eta vs tors. theta energy: -241.816
Dist. restrs. and SS energy: 4.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2623.250912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.250912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.428482 (E_RNA)
where:
Base-Base interactions energy: -1884.679
where: short stacking energy: -784.065
Base-Backbone interact. energy: -0.973
local terms energy: -745.776509
where:
bonds (distance) C4'-P energy: -118.709
bonds (distance) P-C4' energy: -131.864
flat angles C4'-P-C4' energy: -148.138
flat angles P-C4'-P energy: -103.694
tors. eta vs tors. theta energy: -243.371
Dist. restrs. and SS energy: 8.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2462.897451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.897451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.418691 (E_RNA)
where:
Base-Base interactions energy: -1755.942
where: short stacking energy: -717.445
Base-Backbone interact. energy: -0.175
local terms energy: -715.301959
where:
bonds (distance) C4'-P energy: -119.492
bonds (distance) P-C4' energy: -123.750
flat angles C4'-P-C4' energy: -145.755
flat angles P-C4'-P energy: -102.550
tors. eta vs tors. theta energy: -223.755
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: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2455.235468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.235468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.417076 (E_RNA)
where:
Base-Base interactions energy: -1760.124
where: short stacking energy: -697.972
Base-Backbone interact. energy: -1.161
local terms energy: -708.131609
where:
bonds (distance) C4'-P energy: -123.130
bonds (distance) P-C4' energy: -112.806
flat angles C4'-P-C4' energy: -151.227
flat angles P-C4'-P energy: -104.769
tors. eta vs tors. theta energy: -216.200
Dist. restrs. and SS energy: 14.182 (S_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: 462
Temperature: 1.200000
Total energy: -2328.094767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.094767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.132125 (E_RNA)
where:
Base-Base interactions energy: -1699.582
where: short stacking energy: -676.983
Base-Backbone interact. energy: -1.323
local terms energy: -632.227178
where:
bonds (distance) C4'-P energy: -116.611
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -123.353
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -201.808
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: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2262.764287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.764287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.449163 (E_RNA)
where:
Base-Base interactions energy: -1630.335
where: short stacking energy: -642.812
Base-Backbone interact. energy: -0.489
local terms energy: -635.625360
where:
bonds (distance) C4'-P energy: -126.309
bonds (distance) P-C4' energy: -99.005
flat angles C4'-P-C4' energy: -141.810
flat angles P-C4'-P energy: -76.019
tors. eta vs tors. theta energy: -192.482
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -2144.507937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.507937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.411090 (E_RNA)
where:
Base-Base interactions energy: -1548.234
where: short stacking energy: -620.508
Base-Backbone interact. energy: 1.258
local terms energy: -605.435088
where:
bonds (distance) C4'-P energy: -103.669
bonds (distance) P-C4' energy: -100.719
flat angles C4'-P-C4' energy: -132.179
flat angles P-C4'-P energy: -80.423
tors. eta vs tors. theta energy: -188.446
Dist. restrs. and SS energy: 7.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -2049.354895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.098197 (E_RNA)
where:
Base-Base interactions energy: -1459.473
where: short stacking energy: -591.818
Base-Backbone interact. energy: 1.558
local terms energy: -608.183845
where:
bonds (distance) C4'-P energy: -103.176
bonds (distance) P-C4' energy: -131.553
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -66.776
tors. eta vs tors. theta energy: -173.844
Dist. restrs. and SS energy: 16.743 (S_DIST_RNA)
chem. 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: -2767.243535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.243535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.055139 (E_RNA)
where:
Base-Base interactions energy: -1988.850
where: short stacking energy: -830.645
Base-Backbone interact. energy: -0.518
local terms energy: -783.687317
where:
bonds (distance) C4'-P energy: -124.314
bonds (distance) P-C4' energy: -132.196
flat angles C4'-P-C4' energy: -163.532
flat angles P-C4'-P energy: -120.909
tors. eta vs tors. theta energy: -242.737
Dist. restrs. and SS energy: 5.812 (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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2739.855323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.855323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.189712 (E_RNA)
where:
Base-Base interactions energy: -1955.869
where: short stacking energy: -813.344
Base-Backbone interact. energy: 0.947
local terms energy: -788.268511
where:
bonds (distance) C4'-P energy: -133.285
bonds (distance) P-C4' energy: -134.881
flat angles C4'-P-C4' energy: -153.051
flat angles P-C4'-P energy: -116.371
tors. eta vs tors. theta energy: -250.681
Dist. restrs. and SS energy: 3.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2621.276788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.276788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.441899 (E_RNA)
where:
Base-Base interactions energy: -1864.603
where: short stacking energy: -757.604
Base-Backbone interact. energy: -0.243
local terms energy: -759.596335
where:
bonds (distance) C4'-P energy: -122.443
bonds (distance) P-C4' energy: -137.599
flat angles C4'-P-C4' energy: -159.660
flat angles P-C4'-P energy: -93.999
tors. eta vs tors. theta energy: -245.894
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2600.100628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.100628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.462239 (E_RNA)
where:
Base-Base interactions energy: -1850.927
where: short stacking energy: -751.984
Base-Backbone interact. energy: -3.809
local terms energy: -753.726564
where:
bonds (distance) C4'-P energy: -114.439
bonds (distance) P-C4' energy: -125.809
flat angles C4'-P-C4' energy: -169.549
flat angles P-C4'-P energy: -105.827
tors. eta vs tors. theta energy: -238.103
Dist. restrs. and SS energy: 8.362 (S_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: -2466.726494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.726494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.231918 (E_RNA)
where:
Base-Base interactions energy: -1761.936
where: short stacking energy: -700.242
Base-Backbone interact. energy: -2.626
local terms energy: -714.669981
where:
bonds (distance) C4'-P energy: -135.073
bonds (distance) P-C4' energy: -107.612
flat angles C4'-P-C4' energy: -153.637
flat angles P-C4'-P energy: -99.178
tors. eta vs tors. theta energy: -219.170
Dist. restrs. and SS energy: 12.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2418.170654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.170654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.188357 (E_RNA)
where:
Base-Base interactions energy: -1737.803
where: short stacking energy: -696.348
Base-Backbone interact. energy: -0.550
local terms energy: -695.835968
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -127.019
flat angles C4'-P-C4' energy: -143.597
flat angles P-C4'-P energy: -102.625
tors. eta vs tors. theta energy: -211.313
Dist. restrs. and SS energy: 16.018 (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: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2337.990650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.990650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.597726 (E_RNA)
where:
Base-Base interactions energy: -1690.086
where: short stacking energy: -681.460
Base-Backbone interact. energy: -2.400
local terms energy: -649.111660
where:
bonds (distance) C4'-P energy: -103.116
bonds (distance) P-C4' energy: -125.038
flat angles C4'-P-C4' energy: -124.261
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -209.853
Dist. restrs. and SS energy: 3.607 (S_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: 463
Temperature: 1.250000
Total energy: -2197.148579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.148579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.386863 (E_RNA)
where:
Base-Base interactions energy: -1540.812
where: short stacking energy: -621.260
Base-Backbone interact. energy: 2.813
local terms energy: -667.387883
where:
bonds (distance) C4'-P energy: -117.712
bonds (distance) P-C4' energy: -121.225
flat angles C4'-P-C4' energy: -139.347
flat angles P-C4'-P energy: -90.143
tors. eta vs tors. theta energy: -198.960
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: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -2156.856181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.842703 (E_RNA)
where:
Base-Base interactions energy: -1542.115
where: short stacking energy: -617.689
Base-Backbone interact. energy: 1.307
local terms energy: -625.035031
where:
bonds (distance) C4'-P energy: -103.970
bonds (distance) P-C4' energy: -104.409
flat angles C4'-P-C4' energy: -134.861
flat angles P-C4'-P energy: -91.823
tors. eta vs tors. theta energy: -189.973
Dist. restrs. and SS energy: 8.987 (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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -2041.241401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.241401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.183686 (E_RNA)
where:
Base-Base interactions energy: -1433.130
where: short stacking energy: -565.684
Base-Backbone interact. energy: -2.488
local terms energy: -612.566268
where:
bonds (distance) C4'-P energy: -126.582
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -140.272
flat angles P-C4'-P energy: -58.262
tors. eta vs tors. theta energy: -176.642
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: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2769.212299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.212299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.006623 (E_RNA)
where:
Base-Base interactions energy: -1989.810
where: short stacking energy: -803.570
Base-Backbone interact. energy: -3.875
local terms energy: -783.322316
where:
bonds (distance) C4'-P energy: -137.446
bonds (distance) P-C4' energy: -129.680
flat angles C4'-P-C4' energy: -160.030
flat angles P-C4'-P energy: -111.273
tors. eta vs tors. theta energy: -244.895
Dist. restrs. and SS energy: 7.794 (S_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: 464
Temperature: 0.950000
Total energy: -2726.743324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.743324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.988694 (E_RNA)
where:
Base-Base interactions energy: -1911.942
where: short stacking energy: -802.334
Base-Backbone interact. energy: 0.870
local terms energy: -817.917106
where:
bonds (distance) C4'-P energy: -145.677
bonds (distance) P-C4' energy: -138.686
flat angles C4'-P-C4' energy: -167.966
flat angles P-C4'-P energy: -116.690
tors. eta vs tors. theta energy: -248.899
Dist. restrs. and SS energy: 2.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2672.988885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.988885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.841819 (E_RNA)
where:
Base-Base interactions energy: -1885.404
where: short stacking energy: -792.044
Base-Backbone interact. energy: -1.824
local terms energy: -795.613726
where:
bonds (distance) C4'-P energy: -142.463
bonds (distance) P-C4' energy: -144.339
flat angles C4'-P-C4' energy: -155.909
flat angles P-C4'-P energy: -103.600
tors. eta vs tors. theta energy: -249.302
Dist. restrs. and SS energy: 9.853 (S_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: 464
Temperature: 1.050000
Total energy: -2583.007344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.007344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.753186 (E_RNA)
where:
Base-Base interactions energy: -1825.323
where: short stacking energy: -734.514
Base-Backbone interact. energy: -3.840
local terms energy: -758.590377
where:
bonds (distance) C4'-P energy: -124.230
bonds (distance) P-C4' energy: -127.857
flat angles C4'-P-C4' energy: -149.231
flat angles P-C4'-P energy: -112.670
tors. eta vs tors. theta energy: -244.602
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: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2474.667242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.667242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.523670 (E_RNA)
where:
Base-Base interactions energy: -1776.996
where: short stacking energy: -704.663
Base-Backbone interact. energy: -2.573
local terms energy: -706.955120
where:
bonds (distance) C4'-P energy: -117.187
bonds (distance) P-C4' energy: -120.660
flat angles C4'-P-C4' energy: -144.893
flat angles P-C4'-P energy: -107.966
tors. eta vs tors. theta energy: -216.249
Dist. restrs. and SS energy: 11.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2455.686928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.686928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.748957 (E_RNA)
where:
Base-Base interactions energy: -1747.669
where: short stacking energy: -714.096
Base-Backbone interact. energy: 0.629
local terms energy: -723.708588
where:
bonds (distance) C4'-P energy: -130.975
bonds (distance) P-C4' energy: -122.887
flat angles C4'-P-C4' energy: -139.110
flat angles P-C4'-P energy: -103.700
tors. eta vs tors. theta energy: -227.036
Dist. restrs. and SS energy: 15.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2370.044155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.044155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.651773 (E_RNA)
where:
Base-Base interactions energy: -1677.776
where: short stacking energy: -654.587
Base-Backbone interact. energy: -4.458
local terms energy: -693.417971
where:
bonds (distance) C4'-P energy: -110.651
bonds (distance) P-C4' energy: -126.143
flat angles C4'-P-C4' energy: -150.376
flat angles P-C4'-P energy: -84.937
tors. eta vs tors. theta energy: -221.311
Dist. restrs. and SS energy: 5.608 (S_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: 464
Temperature: 1.250000
Total energy: -2218.361530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.361530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.438541 (E_RNA)
where:
Base-Base interactions energy: -1575.965
where: short stacking energy: -633.224
Base-Backbone interact. energy: 0.787
local terms energy: -653.260768
where:
bonds (distance) C4'-P energy: -102.315
bonds (distance) P-C4' energy: -118.489
flat angles C4'-P-C4' energy: -149.649
flat angles P-C4'-P energy: -91.100
tors. eta vs tors. theta energy: -191.708
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: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -2102.547838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.547838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.525987 (E_RNA)
where:
Base-Base interactions energy: -1499.840
where: short stacking energy: -606.437
Base-Backbone interact. energy: -3.532
local terms energy: -612.154368
where:
bonds (distance) C4'-P energy: -103.612
bonds (distance) P-C4' energy: -123.696
flat angles C4'-P-C4' energy: -110.133
flat angles P-C4'-P energy: -80.549
tors. eta vs tors. theta energy: -194.164
Dist. restrs. and SS energy: 12.978 (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: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -2152.736979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.736979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.862525 (E_RNA)
where:
Base-Base interactions energy: -1517.532
where: short stacking energy: -600.083
Base-Backbone interact. energy: 6.339
local terms energy: -645.669063
where:
bonds (distance) C4'-P energy: -106.048
bonds (distance) P-C4' energy: -119.022
flat angles C4'-P-C4' energy: -141.814
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: -189.419
Dist. restrs. and SS energy: 4.126 (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: 465
Temperature: 0.900000
Total energy: -2762.647495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.647495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.665442 (E_RNA)
where:
Base-Base interactions energy: -1956.605
where: short stacking energy: -804.316
Base-Backbone interact. energy: -0.718
local terms energy: -813.341933
where:
bonds (distance) C4'-P energy: -140.609
bonds (distance) P-C4' energy: -148.655
flat angles C4'-P-C4' energy: -162.797
flat angles P-C4'-P energy: -117.623
tors. eta vs tors. theta energy: -243.658
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: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2700.793707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.793707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.854174 (E_RNA)
where:
Base-Base interactions energy: -1890.773
where: short stacking energy: -782.063
Base-Backbone interact. energy: -3.173
local terms energy: -816.907886
where:
bonds (distance) C4'-P energy: -134.482
bonds (distance) P-C4' energy: -144.652
flat angles C4'-P-C4' energy: -172.052
flat angles P-C4'-P energy: -111.807
tors. eta vs tors. theta energy: -253.914
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2698.399330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.399330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.538487 (E_RNA)
where:
Base-Base interactions energy: -1898.459
where: short stacking energy: -780.592
Base-Backbone interact. energy: 0.914
local terms energy: -803.993707
where:
bonds (distance) C4'-P energy: -132.639
bonds (distance) P-C4' energy: -139.212
flat angles C4'-P-C4' energy: -166.434
flat angles P-C4'-P energy: -117.138
tors. eta vs tors. theta energy: -248.571
Dist. restrs. and SS energy: 3.139 (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: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2596.081208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.081208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.729737 (E_RNA)
where:
Base-Base interactions energy: -1842.923
where: short stacking energy: -758.895
Base-Backbone interact. energy: -3.848
local terms energy: -754.958556
where:
bonds (distance) C4'-P energy: -124.957
bonds (distance) P-C4' energy: -122.522
flat angles C4'-P-C4' energy: -158.807
flat angles P-C4'-P energy: -108.627
tors. eta vs tors. theta energy: -240.047
Dist. restrs. and SS energy: 5.649 (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: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2482.339806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.339806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.077344 (E_RNA)
where:
Base-Base interactions energy: -1753.878
where: short stacking energy: -710.735
Base-Backbone interact. energy: -3.144
local terms energy: -741.055043
where:
bonds (distance) C4'-P energy: -123.593
bonds (distance) P-C4' energy: -138.824
flat angles C4'-P-C4' energy: -153.629
flat angles P-C4'-P energy: -104.346
tors. eta vs tors. theta energy: -220.664
Dist. restrs. and SS energy: 15.738 (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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2412.290510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.290510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.966246 (E_RNA)
where:
Base-Base interactions energy: -1727.498
where: short stacking energy: -689.535
Base-Backbone interact. energy: -1.559
local terms energy: -696.909410
where:
bonds (distance) C4'-P energy: -128.771
bonds (distance) P-C4' energy: -115.370
flat angles C4'-P-C4' energy: -150.717
flat angles P-C4'-P energy: -91.333
tors. eta vs tors. theta energy: -210.719
Dist. restrs. and SS energy: 13.676 (S_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: 465
Temperature: 1.200000
Total energy: -2349.064849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.064849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.166340 (E_RNA)
where:
Base-Base interactions energy: -1646.646
where: short stacking energy: -683.372
Base-Backbone interact. energy: 2.509
local terms energy: -709.029414
where:
bonds (distance) C4'-P energy: -129.398
bonds (distance) P-C4' energy: -107.642
flat angles C4'-P-C4' energy: -152.768
flat angles P-C4'-P energy: -103.023
tors. eta vs tors. theta energy: -216.198
Dist. restrs. and SS energy: 4.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2234.462608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.462608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.221038 (E_RNA)
where:
Base-Base interactions energy: -1573.588
where: short stacking energy: -637.953
Base-Backbone interact. energy: -3.007
local terms energy: -666.626742
where:
bonds (distance) C4'-P energy: -117.294
bonds (distance) P-C4' energy: -124.295
flat angles C4'-P-C4' energy: -146.792
flat angles P-C4'-P energy: -88.146
tors. eta vs tors. theta energy: -190.100
Dist. restrs. and SS energy: 8.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -2150.370984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.370984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.789013 (E_RNA)
where:
Base-Base interactions energy: -1517.212
where: short stacking energy: -615.372
Base-Backbone interact. energy: -1.814
local terms energy: -652.762714
where:
bonds (distance) C4'-P energy: -117.569
bonds (distance) P-C4' energy: -116.301
flat angles C4'-P-C4' energy: -128.472
flat angles P-C4'-P energy: -93.597
tors. eta vs tors. theta energy: -196.824
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -2122.553136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.553136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.698224 (E_RNA)
where:
Base-Base interactions energy: -1500.825
where: short stacking energy: -603.540
Base-Backbone interact. energy: -1.700
local terms energy: -626.173235
where:
bonds (distance) C4'-P energy: -100.725
bonds (distance) P-C4' energy: -108.889
flat angles C4'-P-C4' energy: -141.004
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -189.306
Dist. restrs. and SS energy: 6.145 (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: 466
Temperature: 0.900000
Total energy: -2751.502892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.502892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.278637 (E_RNA)
where:
Base-Base interactions energy: -1968.685
where: short stacking energy: -807.784
Base-Backbone interact. energy: -1.042
local terms energy: -791.551234
where:
bonds (distance) C4'-P energy: -154.494
bonds (distance) P-C4' energy: -132.038
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -104.591
tors. eta vs tors. theta energy: -243.327
Dist. restrs. and SS energy: 9.776 (S_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: 466
Temperature: 0.950000
Total energy: -2719.038205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.038205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.735675 (E_RNA)
where:
Base-Base interactions energy: -1905.181
where: short stacking energy: -776.581
Base-Backbone interact. energy: -4.571
local terms energy: -816.983588
where:
bonds (distance) C4'-P energy: -141.140
bonds (distance) P-C4' energy: -137.963
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -120.832
tors. eta vs tors. theta energy: -251.454
Dist. restrs. and SS energy: 7.697 (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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2681.940173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.940173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.929902 (E_RNA)
where:
Base-Base interactions energy: -1890.793
where: short stacking energy: -770.393
Base-Backbone interact. energy: -1.123
local terms energy: -795.013825
where:
bonds (distance) C4'-P energy: -144.569
bonds (distance) P-C4' energy: -135.902
flat angles C4'-P-C4' energy: -146.224
flat angles P-C4'-P energy: -123.105
tors. eta vs tors. theta energy: -245.213
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: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2578.507856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.507856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.970378 (E_RNA)
where:
Base-Base interactions energy: -1828.886
where: short stacking energy: -742.970
Base-Backbone interact. energy: -2.818
local terms energy: -752.265719
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -134.882
flat angles C4'-P-C4' energy: -154.277
flat angles P-C4'-P energy: -95.943
tors. eta vs tors. theta energy: -238.426
Dist. restrs. and SS energy: 5.463 (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: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2472.297598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.297598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.181829 (E_RNA)
where:
Base-Base interactions energy: -1764.767
where: short stacking energy: -716.615
Base-Backbone interact. energy: -1.016
local terms energy: -713.398547
where:
bonds (distance) C4'-P energy: -124.786
bonds (distance) P-C4' energy: -116.072
flat angles C4'-P-C4' energy: -142.584
flat angles P-C4'-P energy: -104.386
tors. eta vs tors. theta energy: -225.570
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: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2421.929870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.929870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.519276 (E_RNA)
where:
Base-Base interactions energy: -1722.078
where: short stacking energy: -701.114
Base-Backbone interact. energy: -3.301
local terms energy: -705.139904
where:
bonds (distance) C4'-P energy: -121.322
bonds (distance) P-C4' energy: -119.626
flat angles C4'-P-C4' energy: -145.061
flat angles P-C4'-P energy: -100.241
tors. eta vs tors. theta energy: -218.889
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2352.763037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.763037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.602055 (E_RNA)
where:
Base-Base interactions energy: -1665.977
where: short stacking energy: -660.373
Base-Backbone interact. energy: -4.338
local terms energy: -688.287004
where:
bonds (distance) C4'-P energy: -126.126
bonds (distance) P-C4' energy: -115.920
flat angles C4'-P-C4' energy: -150.460
flat angles P-C4'-P energy: -95.173
tors. eta vs tors. theta energy: -200.608
Dist. restrs. and SS energy: 5.839 (S_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: 466
Temperature: 1.250000
Total energy: -2268.713845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.713845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.103293 (E_RNA)
where:
Base-Base interactions energy: -1630.608
where: short stacking energy: -649.725
Base-Backbone interact. energy: -1.629
local terms energy: -643.866035
where:
bonds (distance) C4'-P energy: -107.285
bonds (distance) P-C4' energy: -119.148
flat angles C4'-P-C4' energy: -128.018
flat angles P-C4'-P energy: -85.331
tors. eta vs tors. theta energy: -204.084
Dist. restrs. and SS energy: 7.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -2153.066234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.066234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.032888 (E_RNA)
where:
Base-Base interactions energy: -1540.173
where: short stacking energy: -630.214
Base-Backbone interact. energy: 0.060
local terms energy: -625.920472
where:
bonds (distance) C4'-P energy: -108.314
bonds (distance) P-C4' energy: -97.782
flat angles C4'-P-C4' energy: -142.841
flat angles P-C4'-P energy: -91.846
tors. eta vs tors. theta energy: -185.138
Dist. restrs. and SS energy: 12.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -2049.003259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.003259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.807742 (E_RNA)
where:
Base-Base interactions energy: -1469.486
where: short stacking energy: -584.952
Base-Backbone interact. energy: 1.334
local terms energy: -597.655327
where:
bonds (distance) C4'-P energy: -104.080
bonds (distance) P-C4' energy: -131.150
flat angles C4'-P-C4' energy: -122.206
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: -187.747
Dist. restrs. and SS energy: 16.804 (S_DIST_RNA)
chem. 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: -2765.980590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.980590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.710445 (E_RNA)
where:
Base-Base interactions energy: -1940.397
where: short stacking energy: -809.199
Base-Backbone interact. energy: -1.855
local terms energy: -830.459232
where:
bonds (distance) C4'-P energy: -141.327
bonds (distance) P-C4' energy: -141.719
flat angles C4'-P-C4' energy: -173.441
flat angles P-C4'-P energy: -121.989
tors. eta vs tors. theta energy: -251.982
Dist. restrs. and SS energy: 6.730 (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: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2724.853247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.853247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.606347 (E_RNA)
where:
Base-Base interactions energy: -1935.276
where: short stacking energy: -809.807
Base-Backbone interact. energy: -3.552
local terms energy: -792.777659
where:
bonds (distance) C4'-P energy: -130.319
bonds (distance) P-C4' energy: -142.379
flat angles C4'-P-C4' energy: -159.652
flat angles P-C4'-P energy: -111.462
tors. eta vs tors. theta energy: -248.965
Dist. restrs. and SS energy: 6.753 (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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2678.976625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.976625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.243349 (E_RNA)
where:
Base-Base interactions energy: -1916.457
where: short stacking energy: -788.859
Base-Backbone interact. energy: 0.852
local terms energy: -766.638774
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -123.053
flat angles C4'-P-C4' energy: -160.623
flat angles P-C4'-P energy: -108.160
tors. eta vs tors. theta energy: -250.420
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2548.743111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.743111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.651594 (E_RNA)
where:
Base-Base interactions energy: -1816.819
where: short stacking energy: -761.973
Base-Backbone interact. energy: -2.492
local terms energy: -732.340438
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -120.354
flat angles C4'-P-C4' energy: -160.390
flat angles P-C4'-P energy: -94.095
tors. eta vs tors. theta energy: -236.033
Dist. restrs. and SS energy: 2.908 (S_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: -2489.600024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.600024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.978916 (E_RNA)
where:
Base-Base interactions energy: -1775.469
where: short stacking energy: -708.178
Base-Backbone interact. energy: -1.619
local terms energy: -717.890438
where:
bonds (distance) C4'-P energy: -110.686
bonds (distance) P-C4' energy: -124.396
flat angles C4'-P-C4' energy: -157.294
flat angles P-C4'-P energy: -104.364
tors. eta vs tors. theta energy: -221.151
Dist. restrs. and SS energy: 5.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2439.465224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.465224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.284963 (E_RNA)
where:
Base-Base interactions energy: -1727.059
where: short stacking energy: -723.175
Base-Backbone interact. energy: -4.203
local terms energy: -718.022973
where:
bonds (distance) C4'-P energy: -125.049
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -152.298
flat angles P-C4'-P energy: -114.863
tors. eta vs tors. theta energy: -211.514
Dist. restrs. and SS energy: 9.820 (S_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: 467
Temperature: 1.200000
Total energy: -2348.791781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.791781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.815489 (E_RNA)
where:
Base-Base interactions energy: -1673.850
where: short stacking energy: -676.466
Base-Backbone interact. energy: 1.357
local terms energy: -682.322774
where:
bonds (distance) C4'-P energy: -103.101
bonds (distance) P-C4' energy: -125.127
flat angles C4'-P-C4' energy: -148.459
flat angles P-C4'-P energy: -92.906
tors. eta vs tors. theta energy: -212.729
Dist. restrs. and SS energy: 6.024 (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: 467
Temperature: 1.250000
Total energy: -2283.885869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.885869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.897697 (E_RNA)
where:
Base-Base interactions energy: -1623.008
where: short stacking energy: -658.040
Base-Backbone interact. energy: -2.260
local terms energy: -666.628952
where:
bonds (distance) C4'-P energy: -113.174
bonds (distance) P-C4' energy: -118.297
flat angles C4'-P-C4' energy: -143.480
flat angles P-C4'-P energy: -86.576
tors. eta vs tors. theta energy: -205.102
Dist. restrs. and SS energy: 8.012 (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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -2147.411332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.411332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.520198 (E_RNA)
where:
Base-Base interactions energy: -1526.238
where: short stacking energy: -619.041
Base-Backbone interact. energy: -0.024
local terms energy: -637.257830
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -121.760
flat angles C4'-P-C4' energy: -147.111
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -198.802
Dist. restrs. and SS energy: 16.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -2013.771369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.771369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.900954 (E_RNA)
where:
Base-Base interactions energy: -1463.922
where: short stacking energy: -598.612
Base-Backbone interact. energy: -1.395
local terms energy: -566.584219
where:
bonds (distance) C4'-P energy: -105.910
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -131.859
flat angles P-C4'-P energy: -78.200
tors. eta vs tors. theta energy: -185.595
Dist. restrs. and SS energy: 18.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2768.279985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.279985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.057463 (E_RNA)
where:
Base-Base interactions energy: -1972.315
where: short stacking energy: -809.050
Base-Backbone interact. energy: -2.445
local terms energy: -801.297191
where:
bonds (distance) C4'-P energy: -138.008
bonds (distance) P-C4' energy: -124.283
flat angles C4'-P-C4' energy: -172.940
flat angles P-C4'-P energy: -112.769
tors. eta vs tors. theta energy: -253.296
Dist. restrs. and SS energy: 7.777 (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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2726.461500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.461500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.577524 (E_RNA)
where:
Base-Base interactions energy: -1919.497
where: short stacking energy: -809.345
Base-Backbone interact. energy: -1.932
local terms energy: -813.148436
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -150.669
flat angles C4'-P-C4' energy: -171.810
flat angles P-C4'-P energy: -127.051
tors. eta vs tors. theta energy: -257.145
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2657.128508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.128508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.213147 (E_RNA)
where:
Base-Base interactions energy: -1879.573
where: short stacking energy: -758.384
Base-Backbone interact. energy: -1.525
local terms energy: -780.115688
where:
bonds (distance) C4'-P energy: -126.190
bonds (distance) P-C4' energy: -138.982
flat angles C4'-P-C4' energy: -157.083
flat angles P-C4'-P energy: -121.227
tors. eta vs tors. theta energy: -236.634
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: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2563.247563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.247563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.928243 (E_RNA)
where:
Base-Base interactions energy: -1804.898
where: short stacking energy: -736.520
Base-Backbone interact. energy: -3.626
local terms energy: -758.404894
where:
bonds (distance) C4'-P energy: -129.529
bonds (distance) P-C4' energy: -128.018
flat angles C4'-P-C4' energy: -163.402
flat angles P-C4'-P energy: -100.992
tors. eta vs tors. theta energy: -236.464
Dist. restrs. and SS energy: 3.681 (S_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: -2490.729231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.729231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.736695 (E_RNA)
where:
Base-Base interactions energy: -1752.571
where: short stacking energy: -697.802
Base-Backbone interact. energy: 2.177
local terms energy: -743.343527
where:
bonds (distance) C4'-P energy: -116.794
bonds (distance) P-C4' energy: -147.328
flat angles C4'-P-C4' energy: -153.646
flat angles P-C4'-P energy: -101.487
tors. eta vs tors. theta energy: -224.089
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2414.582786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.582786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.216450 (E_RNA)
where:
Base-Base interactions energy: -1741.775
where: short stacking energy: -687.563
Base-Backbone interact. energy: -0.884
local terms energy: -688.556886
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -118.476
flat angles C4'-P-C4' energy: -135.886
flat angles P-C4'-P energy: -92.957
tors. eta vs tors. theta energy: -216.007
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2356.550995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.729123 (E_RNA)
where:
Base-Base interactions energy: -1674.043
where: short stacking energy: -678.171
Base-Backbone interact. energy: -3.886
local terms energy: -685.799764
where:
bonds (distance) C4'-P energy: -133.477
bonds (distance) P-C4' energy: -127.572
flat angles C4'-P-C4' energy: -134.087
flat angles P-C4'-P energy: -85.165
tors. eta vs tors. theta energy: -205.499
Dist. restrs. and SS energy: 7.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2221.100090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.100090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.197188 (E_RNA)
where:
Base-Base interactions energy: -1568.509
where: short stacking energy: -619.989
Base-Backbone interact. energy: 2.431
local terms energy: -661.119339
where:
bonds (distance) C4'-P energy: -127.770
bonds (distance) P-C4' energy: -99.088
flat angles C4'-P-C4' energy: -151.009
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -196.502
Dist. restrs. and SS energy: 6.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -2179.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.256027 (E_RNA)
where:
Base-Base interactions energy: -1557.352
where: short stacking energy: -621.195
Base-Backbone interact. energy: 2.075
local terms energy: -633.978625
where:
bonds (distance) C4'-P energy: -102.492
bonds (distance) P-C4' energy: -112.745
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -92.399
tors. eta vs tors. theta energy: -187.037
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: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -2040.512730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.585793 (E_RNA)
where:
Base-Base interactions energy: -1441.307
where: short stacking energy: -588.705
Base-Backbone interact. energy: -2.204
local terms energy: -609.074056
where:
bonds (distance) C4'-P energy: -88.528
bonds (distance) P-C4' energy: -113.105
flat angles C4'-P-C4' energy: -143.044
flat angles P-C4'-P energy: -80.112
tors. eta vs tors. theta energy: -184.284
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: 469
Temperature: 0.900000
Total energy: -2779.829865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.829865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.502428 (E_RNA)
where:
Base-Base interactions energy: -1966.804
where: short stacking energy: -817.973
Base-Backbone interact. energy: -2.906
local terms energy: -816.792551
where:
bonds (distance) C4'-P energy: -125.586
bonds (distance) P-C4' energy: -142.394
flat angles C4'-P-C4' energy: -163.478
flat angles P-C4'-P energy: -133.497
tors. eta vs tors. theta energy: -251.838
Dist. restrs. and SS energy: 6.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2718.003053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.003053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.559163 (E_RNA)
where:
Base-Base interactions energy: -1925.412
where: short stacking energy: -789.448
Base-Backbone interact. energy: -2.449
local terms energy: -798.697641
where:
bonds (distance) C4'-P energy: -128.694
bonds (distance) P-C4' energy: -142.858
flat angles C4'-P-C4' energy: -168.199
flat angles P-C4'-P energy: -111.857
tors. eta vs tors. theta energy: -247.090
Dist. restrs. and SS energy: 8.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2659.752844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.752844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.958903 (E_RNA)
where:
Base-Base interactions energy: -1847.912
where: short stacking energy: -734.441
Base-Backbone interact. energy: -4.709
local terms energy: -811.337637
where:
bonds (distance) C4'-P energy: -154.165
bonds (distance) P-C4' energy: -150.452
flat angles C4'-P-C4' energy: -155.377
flat angles P-C4'-P energy: -103.398
tors. eta vs tors. theta energy: -247.947
Dist. restrs. and SS energy: 4.206 (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: 469
Temperature: 1.050000
Total energy: -2569.350661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.350661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.002964 (E_RNA)
where:
Base-Base interactions energy: -1809.948
where: short stacking energy: -751.618
Base-Backbone interact. energy: -2.528
local terms energy: -760.526846
where:
bonds (distance) C4'-P energy: -135.001
bonds (distance) P-C4' energy: -137.878
flat angles C4'-P-C4' energy: -156.582
flat angles P-C4'-P energy: -94.456
tors. eta vs tors. theta energy: -236.610
Dist. restrs. and SS energy: 3.652 (S_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: -2488.549309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.549309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.900452 (E_RNA)
where:
Base-Base interactions energy: -1746.874
where: short stacking energy: -711.643
Base-Backbone interact. energy: -0.206
local terms energy: -743.820572
where:
bonds (distance) C4'-P energy: -147.062
bonds (distance) P-C4' energy: -128.995
flat angles C4'-P-C4' energy: -156.040
flat angles P-C4'-P energy: -92.545
tors. eta vs tors. theta energy: -219.178
Dist. restrs. and SS energy: 2.351 (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: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2441.325544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.325544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.370659 (E_RNA)
where:
Base-Base interactions energy: -1776.372
where: short stacking energy: -714.463
Base-Backbone interact. energy: -2.188
local terms energy: -673.810649
where:
bonds (distance) C4'-P energy: -107.742
bonds (distance) P-C4' energy: -122.361
flat angles C4'-P-C4' energy: -126.863
flat angles P-C4'-P energy: -103.928
tors. eta vs tors. theta energy: -212.917
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: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2311.453480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.453480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.465283 (E_RNA)
where:
Base-Base interactions energy: -1680.985
where: short stacking energy: -665.012
Base-Backbone interact. energy: 1.668
local terms energy: -637.148287
where:
bonds (distance) C4'-P energy: -115.608
bonds (distance) P-C4' energy: -106.509
flat angles C4'-P-C4' energy: -131.075
flat angles P-C4'-P energy: -64.881
tors. eta vs tors. theta energy: -219.076
Dist. restrs. and SS energy: 5.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2231.282237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.282237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.377042 (E_RNA)
where:
Base-Base interactions energy: -1594.700
where: short stacking energy: -662.633
Base-Backbone interact. energy: -2.167
local terms energy: -644.510867
where:
bonds (distance) C4'-P energy: -95.799
bonds (distance) P-C4' energy: -128.452
flat angles C4'-P-C4' energy: -145.703
flat angles P-C4'-P energy: -80.569
tors. eta vs tors. theta energy: -193.989
Dist. restrs. and SS energy: 10.095 (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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -2169.839952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.839952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.480638 (E_RNA)
where:
Base-Base interactions energy: -1552.460
where: short stacking energy: -604.416
Base-Backbone interact. energy: -2.182
local terms energy: -629.839319
where:
bonds (distance) C4'-P energy: -117.065
bonds (distance) P-C4' energy: -118.456
flat angles C4'-P-C4' energy: -137.159
flat angles P-C4'-P energy: -79.490
tors. eta vs tors. theta energy: -177.669
Dist. restrs. and SS energy: 14.641 (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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -2065.737485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.737485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.824102 (E_RNA)
where:
Base-Base interactions energy: -1476.710
where: short stacking energy: -592.867
Base-Backbone interact. energy: -1.186
local terms energy: -605.928706
where:
bonds (distance) C4'-P energy: -100.169
bonds (distance) P-C4' energy: -114.795
flat angles C4'-P-C4' energy: -124.755
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -187.481
Dist. restrs. and SS energy: 18.087 (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: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2770.808275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.808275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.367353 (E_RNA)
where:
Base-Base interactions energy: -1971.605
where: short stacking energy: -798.908
Base-Backbone interact. energy: -2.540
local terms energy: -804.221802
where:
bonds (distance) C4'-P energy: -135.961
bonds (distance) P-C4' energy: -141.336
flat angles C4'-P-C4' energy: -163.100
flat angles P-C4'-P energy: -118.336
tors. eta vs tors. theta energy: -245.488
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: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2719.867292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.867292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.134495 (E_RNA)
where:
Base-Base interactions energy: -1918.011
where: short stacking energy: -773.350
Base-Backbone interact. energy: -3.189
local terms energy: -805.934001
where:
bonds (distance) C4'-P energy: -136.583
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -161.159
flat angles P-C4'-P energy: -119.888
tors. eta vs tors. theta energy: -245.695
Dist. restrs. and SS energy: 7.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2642.884078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.884078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.520829 (E_RNA)
where:
Base-Base interactions energy: -1848.451
where: short stacking energy: -749.029
Base-Backbone interact. energy: -2.320
local terms energy: -794.750252
where:
bonds (distance) C4'-P energy: -134.253
bonds (distance) P-C4' energy: -133.268
flat angles C4'-P-C4' energy: -166.709
flat angles P-C4'-P energy: -116.073
tors. eta vs tors. theta energy: -244.447
Dist. restrs. and SS energy: 2.637 (S_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: 470
Temperature: 1.050000
Total energy: -2561.674538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.674538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.070968 (E_RNA)
where:
Base-Base interactions energy: -1813.528
where: short stacking energy: -719.938
Base-Backbone interact. energy: -3.293
local terms energy: -747.249986
where:
bonds (distance) C4'-P energy: -137.138
bonds (distance) P-C4' energy: -138.039
flat angles C4'-P-C4' energy: -144.722
flat angles P-C4'-P energy: -98.090
tors. eta vs tors. theta energy: -229.261
Dist. restrs. and SS energy: 2.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2493.534845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.534845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.570230 (E_RNA)
where:
Base-Base interactions energy: -1797.820
where: short stacking energy: -739.915
Base-Backbone interact. energy: 1.422
local terms energy: -710.172691
where:
bonds (distance) C4'-P energy: -115.273
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -153.735
flat angles P-C4'-P energy: -101.877
tors. eta vs tors. theta energy: -223.871
Dist. restrs. and SS energy: 13.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2419.004090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.004090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.533245 (E_RNA)
where:
Base-Base interactions energy: -1756.442
where: short stacking energy: -729.025
Base-Backbone interact. energy: 1.362
local terms energy: -676.453349
where:
bonds (distance) C4'-P energy: -112.464
bonds (distance) P-C4' energy: -117.062
flat angles C4'-P-C4' energy: -133.822
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -221.979
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: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2285.827300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.827300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.860923 (E_RNA)
where:
Base-Base interactions energy: -1617.397
where: short stacking energy: -663.657
Base-Backbone interact. energy: -1.673
local terms energy: -672.791068
where:
bonds (distance) C4'-P energy: -109.835
bonds (distance) P-C4' energy: -109.162
flat angles C4'-P-C4' energy: -157.828
flat angles P-C4'-P energy: -97.935
tors. eta vs tors. theta energy: -198.031
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: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2248.435301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.435301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.796666 (E_RNA)
where:
Base-Base interactions energy: -1638.951
where: short stacking energy: -656.297
Base-Backbone interact. energy: 1.436
local terms energy: -618.282613
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -93.885
flat angles C4'-P-C4' energy: -139.068
flat angles P-C4'-P energy: -72.909
tors. eta vs tors. theta energy: -200.355
Dist. restrs. and SS energy: 7.361 (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: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -2154.468336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.468336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.206702 (E_RNA)
where:
Base-Base interactions energy: -1552.267
where: short stacking energy: -624.236
Base-Backbone interact. energy: -1.802
local terms energy: -611.137155
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -96.464
flat angles C4'-P-C4' energy: -139.577
flat angles P-C4'-P energy: -80.702
tors. eta vs tors. theta energy: -184.551
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1997.701408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.701408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.013135 (E_RNA)
where:
Base-Base interactions energy: -1446.714
where: short stacking energy: -563.981
Base-Backbone interact. energy: 3.848
local terms energy: -575.146865
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -140.060
flat angles P-C4'-P energy: -74.511
tors. eta vs tors. theta energy: -173.166
Dist. restrs. and SS energy: 20.312 (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: 471
Temperature: 0.900000
Total energy: -2775.774068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.774068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.864127 (E_RNA)
where:
Base-Base interactions energy: -1965.889
where: short stacking energy: -812.287
Base-Backbone interact. energy: -2.939
local terms energy: -813.036139
where:
bonds (distance) C4'-P energy: -146.017
bonds (distance) P-C4' energy: -134.484
flat angles C4'-P-C4' energy: -165.164
flat angles P-C4'-P energy: -115.947
tors. eta vs tors. theta energy: -251.425
Dist. restrs. and SS energy: 6.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2734.960287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.960287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.527858 (E_RNA)
where:
Base-Base interactions energy: -1930.481
where: short stacking energy: -797.007
Base-Backbone interact. energy: -6.486
local terms energy: -806.560714
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -139.081
flat angles C4'-P-C4' energy: -167.341
flat angles P-C4'-P energy: -122.125
tors. eta vs tors. theta energy: -253.076
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2663.973473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.973473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.579142 (E_RNA)
where:
Base-Base interactions energy: -1902.110
where: short stacking energy: -758.643
Base-Backbone interact. energy: -2.309
local terms energy: -763.160428
where:
bonds (distance) C4'-P energy: -129.161
bonds (distance) P-C4' energy: -127.592
flat angles C4'-P-C4' energy: -159.551
flat angles P-C4'-P energy: -107.482
tors. eta vs tors. theta energy: -239.374
Dist. restrs. and SS energy: 3.606 (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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2575.821362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.821362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.409889 (E_RNA)
where:
Base-Base interactions energy: -1825.280
where: short stacking energy: -733.527
Base-Backbone interact. energy: -2.198
local terms energy: -752.931810
where:
bonds (distance) C4'-P energy: -125.903
bonds (distance) P-C4' energy: -134.037
flat angles C4'-P-C4' energy: -150.756
flat angles P-C4'-P energy: -106.730
tors. eta vs tors. theta energy: -235.505
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2497.862084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.862084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.239778 (E_RNA)
where:
Base-Base interactions energy: -1798.577
where: short stacking energy: -742.859
Base-Backbone interact. energy: -4.232
local terms energy: -708.430523
where:
bonds (distance) C4'-P energy: -125.625
bonds (distance) P-C4' energy: -124.510
flat angles C4'-P-C4' energy: -139.483
flat angles P-C4'-P energy: -95.505
tors. eta vs tors. theta energy: -223.307
Dist. restrs. and SS energy: 13.378 (S_DIST_RNA)
chem. 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: -2480.205635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.724296 (E_RNA)
where:
Base-Base interactions energy: -1768.024
where: short stacking energy: -719.050
Base-Backbone interact. energy: -3.619
local terms energy: -720.081332
where:
bonds (distance) C4'-P energy: -121.398
bonds (distance) P-C4' energy: -126.547
flat angles C4'-P-C4' energy: -148.938
flat angles P-C4'-P energy: -94.847
tors. eta vs tors. theta energy: -228.351
Dist. restrs. and SS energy: 11.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2288.008850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.008850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.448288 (E_RNA)
where:
Base-Base interactions energy: -1614.867
where: short stacking energy: -654.402
Base-Backbone interact. energy: -1.807
local terms energy: -676.774861
where:
bonds (distance) C4'-P energy: -117.354
bonds (distance) P-C4' energy: -117.037
flat angles C4'-P-C4' energy: -146.551
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -200.951
Dist. restrs. and SS energy: 5.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2233.358946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.358946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.137244 (E_RNA)
where:
Base-Base interactions energy: -1608.827
where: short stacking energy: -630.263
Base-Backbone interact. energy: -1.884
local terms energy: -627.426424
where:
bonds (distance) C4'-P energy: -123.731
bonds (distance) P-C4' energy: -108.266
flat angles C4'-P-C4' energy: -121.603
flat angles P-C4'-P energy: -82.728
tors. eta vs tors. theta energy: -191.098
Dist. restrs. and SS energy: 4.778 (S_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: -2139.461546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.461546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.014328 (E_RNA)
where:
Base-Base interactions energy: -1563.470
where: short stacking energy: -597.660
Base-Backbone interact. energy: 4.667
local terms energy: -590.210705
where:
bonds (distance) C4'-P energy: -93.771
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -128.580
flat angles P-C4'-P energy: -84.760
tors. eta vs tors. theta energy: -172.586
Dist. restrs. and SS energy: 9.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -2015.863570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.863570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.622409 (E_RNA)
where:
Base-Base interactions energy: -1408.853
where: short stacking energy: -558.928
Base-Backbone interact. energy: -2.264
local terms energy: -622.505046
where:
bonds (distance) C4'-P energy: -112.436
bonds (distance) P-C4' energy: -93.243
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -87.496
tors. eta vs tors. theta energy: -179.608
Dist. restrs. and SS energy: 17.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2786.648889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.648889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.324430 (E_RNA)
where:
Base-Base interactions energy: -1958.430
where: short stacking energy: -813.974
Base-Backbone interact. energy: -0.095
local terms energy: -834.799476
where:
bonds (distance) C4'-P energy: -134.299
bonds (distance) P-C4' energy: -151.053
flat angles C4'-P-C4' energy: -165.837
flat angles P-C4'-P energy: -130.334
tors. eta vs tors. theta energy: -253.276
Dist. restrs. and SS energy: 6.676 (S_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: 472
Temperature: 0.950000
Total energy: -2736.593122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.593122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.679299 (E_RNA)
where:
Base-Base interactions energy: -1934.492
where: short stacking energy: -792.876
Base-Backbone interact. energy: -0.199
local terms energy: -808.987730
where:
bonds (distance) C4'-P energy: -137.261
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -163.286
flat angles P-C4'-P energy: -121.504
tors. eta vs tors. theta energy: -243.745
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: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2633.744375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.744375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.730820 (E_RNA)
where:
Base-Base interactions energy: -1877.617
where: short stacking energy: -753.110
Base-Backbone interact. energy: -1.021
local terms energy: -757.092470
where:
bonds (distance) C4'-P energy: -114.097
bonds (distance) P-C4' energy: -132.229
flat angles C4'-P-C4' energy: -167.226
flat angles P-C4'-P energy: -102.975
tors. eta vs tors. theta energy: -240.566
Dist. restrs. and SS energy: 1.986 (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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2538.221376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.221376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.650905 (E_RNA)
where:
Base-Base interactions energy: -1796.062
where: short stacking energy: -737.572
Base-Backbone interact. energy: -0.507
local terms energy: -746.081740
where:
bonds (distance) C4'-P energy: -130.726
bonds (distance) P-C4' energy: -112.669
flat angles C4'-P-C4' energy: -153.785
flat angles P-C4'-P energy: -111.869
tors. eta vs tors. theta energy: -237.033
Dist. restrs. and SS energy: 4.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2462.576638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.576638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.250293 (E_RNA)
where:
Base-Base interactions energy: -1763.881
where: short stacking energy: -710.849
Base-Backbone interact. energy: -0.514
local terms energy: -713.855423
where:
bonds (distance) C4'-P energy: -118.486
bonds (distance) P-C4' energy: -123.374
flat angles C4'-P-C4' energy: -149.820
flat angles P-C4'-P energy: -102.295
tors. eta vs tors. theta energy: -219.880
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: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2437.871544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.871544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.293123 (E_RNA)
where:
Base-Base interactions energy: -1727.845
where: short stacking energy: -706.822
Base-Backbone interact. energy: 2.157
local terms energy: -722.605170
where:
bonds (distance) C4'-P energy: -118.374
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -149.438
flat angles P-C4'-P energy: -101.795
tors. eta vs tors. theta energy: -224.680
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: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2290.488200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.488200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.506669 (E_RNA)
where:
Base-Base interactions energy: -1639.578
where: short stacking energy: -649.982
Base-Backbone interact. energy: -1.653
local terms energy: -658.276339
where:
bonds (distance) C4'-P energy: -120.816
bonds (distance) P-C4' energy: -103.612
flat angles C4'-P-C4' energy: -136.399
flat angles P-C4'-P energy: -96.636
tors. eta vs tors. theta energy: -200.813
Dist. restrs. and SS energy: 9.018 (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: 472
Temperature: 1.250000
Total energy: -2274.602263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.602263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.546500 (E_RNA)
where:
Base-Base interactions energy: -1632.739
where: short stacking energy: -645.476
Base-Backbone interact. energy: 1.465
local terms energy: -647.272403
where:
bonds (distance) C4'-P energy: -102.757
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -141.108
flat angles P-C4'-P energy: -91.202
tors. eta vs tors. theta energy: -203.896
Dist. restrs. and SS energy: 3.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -2172.199483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.199483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.812559 (E_RNA)
where:
Base-Base interactions energy: -1548.748
where: short stacking energy: -605.055
Base-Backbone interact. energy: -1.991
local terms energy: -632.074480
where:
bonds (distance) C4'-P energy: -111.369
bonds (distance) P-C4' energy: -112.023
flat angles C4'-P-C4' energy: -140.026
flat angles P-C4'-P energy: -85.906
tors. eta vs tors. theta energy: -182.750
Dist. restrs. and SS energy: 10.613 (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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1992.623567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.623567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.724133 (E_RNA)
where:
Base-Base interactions energy: -1420.391
where: short stacking energy: -561.737
Base-Backbone interact. energy: -2.919
local terms energy: -590.414395
where:
bonds (distance) C4'-P energy: -93.028
bonds (distance) P-C4' energy: -125.358
flat angles C4'-P-C4' energy: -118.795
flat angles P-C4'-P energy: -86.451
tors. eta vs tors. theta energy: -166.782
Dist. restrs. and SS energy: 21.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2802.410191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.410191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.116129 (E_RNA)
where:
Base-Base interactions energy: -1960.469
where: short stacking energy: -816.325
Base-Backbone interact. energy: -2.680
local terms energy: -845.966752
where:
bonds (distance) C4'-P energy: -146.795
bonds (distance) P-C4' energy: -148.681
flat angles C4'-P-C4' energy: -170.452
flat angles P-C4'-P energy: -112.108
tors. eta vs tors. theta energy: -267.930
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: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2727.009108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.009108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.171310 (E_RNA)
where:
Base-Base interactions energy: -1923.412
where: short stacking energy: -787.429
Base-Backbone interact. energy: -3.029
local terms energy: -806.730530
where:
bonds (distance) C4'-P energy: -138.116
bonds (distance) P-C4' energy: -135.959
flat angles C4'-P-C4' energy: -166.297
flat angles P-C4'-P energy: -121.266
tors. eta vs tors. theta energy: -245.092
Dist. restrs. and SS energy: 6.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2655.546375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.546375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.748401 (E_RNA)
where:
Base-Base interactions energy: -1880.401
where: short stacking energy: -761.893
Base-Backbone interact. energy: 3.973
local terms energy: -784.320588
where:
bonds (distance) C4'-P energy: -139.842
bonds (distance) P-C4' energy: -134.892
flat angles C4'-P-C4' energy: -154.872
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -240.920
Dist. restrs. and SS energy: 5.202 (S_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: 473
Temperature: 1.050000
Total energy: -2573.924138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.924138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.184328 (E_RNA)
where:
Base-Base interactions energy: -1830.080
where: short stacking energy: -763.812
Base-Backbone interact. energy: -3.400
local terms energy: -743.704252
where:
bonds (distance) C4'-P energy: -113.451
bonds (distance) P-C4' energy: -121.522
flat angles C4'-P-C4' energy: -164.185
flat angles P-C4'-P energy: -114.282
tors. eta vs tors. theta energy: -230.264
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2492.540604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.540604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.812751 (E_RNA)
where:
Base-Base interactions energy: -1762.276
where: short stacking energy: -731.980
Base-Backbone interact. energy: -2.577
local terms energy: -741.960347
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -121.891
flat angles C4'-P-C4' energy: -152.876
flat angles P-C4'-P energy: -114.856
tors. eta vs tors. theta energy: -229.146
Dist. restrs. and SS energy: 14.272 (S_DIST_RNA)
chem. 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: -2446.053916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.053916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.880618 (E_RNA)
where:
Base-Base interactions energy: -1759.036
where: short stacking energy: -731.277
Base-Backbone interact. energy: -0.683
local terms energy: -689.161581
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -112.107
flat angles C4'-P-C4' energy: -141.513
flat angles P-C4'-P energy: -101.229
tors. eta vs tors. theta energy: -223.411
Dist. restrs. and SS energy: 2.827 (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: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2320.069521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.069521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.517394 (E_RNA)
where:
Base-Base interactions energy: -1651.828
where: short stacking energy: -655.949
Base-Backbone interact. energy: -1.399
local terms energy: -675.290874
where:
bonds (distance) C4'-P energy: -89.793
bonds (distance) P-C4' energy: -120.133
flat angles C4'-P-C4' energy: -154.584
flat angles P-C4'-P energy: -100.905
tors. eta vs tors. theta energy: -209.876
Dist. restrs. and SS energy: 8.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2337.689006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.689006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.275537 (E_RNA)
where:
Base-Base interactions energy: -1672.472
where: short stacking energy: -672.226
Base-Backbone interact. energy: 1.130
local terms energy: -669.933380
where:
bonds (distance) C4'-P energy: -106.727
bonds (distance) P-C4' energy: -99.999
flat angles C4'-P-C4' energy: -138.105
flat angles P-C4'-P energy: -113.720
tors. eta vs tors. theta energy: -211.382
Dist. restrs. and SS energy: 3.587 (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: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -2169.448365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.448365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.169928 (E_RNA)
where:
Base-Base interactions energy: -1578.575
where: short stacking energy: -626.538
Base-Backbone interact. energy: 2.631
local terms energy: -601.225349
where:
bonds (distance) C4'-P energy: -104.297
bonds (distance) P-C4' energy: -93.970
flat angles C4'-P-C4' energy: -138.073
flat angles P-C4'-P energy: -89.871
tors. eta vs tors. theta energy: -175.015
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: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1979.202222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.202222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.013189 (E_RNA)
where:
Base-Base interactions energy: -1392.051
where: short stacking energy: -549.277
Base-Backbone interact. energy: -1.345
local terms energy: -604.617156
where:
bonds (distance) C4'-P energy: -103.846
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -135.973
flat angles P-C4'-P energy: -84.523
tors. eta vs tors. theta energy: -172.837
Dist. restrs. and SS energy: 18.811 (S_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: 474
Temperature: 0.900000
Total energy: -2802.773087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.773087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.166480 (E_RNA)
where:
Base-Base interactions energy: -1978.198
where: short stacking energy: -824.549
Base-Backbone interact. energy: -1.036
local terms energy: -830.932452
where:
bonds (distance) C4'-P energy: -148.645
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -160.669
flat angles P-C4'-P energy: -118.405
tors. eta vs tors. theta energy: -267.048
Dist. restrs. and SS energy: 7.393 (S_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: 474
Temperature: 0.950000
Total energy: -2734.750878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.750878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.352680 (E_RNA)
where:
Base-Base interactions energy: -1948.733
where: short stacking energy: -799.539
Base-Backbone interact. energy: -0.167
local terms energy: -791.453051
where:
bonds (distance) C4'-P energy: -140.855
bonds (distance) P-C4' energy: -137.682
flat angles C4'-P-C4' energy: -153.439
flat angles P-C4'-P energy: -123.122
tors. eta vs tors. theta energy: -236.355
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: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2653.075822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.075822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.170242 (E_RNA)
where:
Base-Base interactions energy: -1869.910
where: short stacking energy: -748.905
Base-Backbone interact. energy: -3.644
local terms energy: -786.616505
where:
bonds (distance) C4'-P energy: -129.800
bonds (distance) P-C4' energy: -143.489
flat angles C4'-P-C4' energy: -162.349
flat angles P-C4'-P energy: -115.223
tors. eta vs tors. theta energy: -235.755
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: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2591.998416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.998416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.433184 (E_RNA)
where:
Base-Base interactions energy: -1836.461
where: short stacking energy: -745.777
Base-Backbone interact. energy: -1.671
local terms energy: -756.300838
where:
bonds (distance) C4'-P energy: -131.680
bonds (distance) P-C4' energy: -135.296
flat angles C4'-P-C4' energy: -157.897
flat angles P-C4'-P energy: -102.276
tors. eta vs tors. theta energy: -229.152
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: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2442.611234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.611234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.670428 (E_RNA)
where:
Base-Base interactions energy: -1745.568
where: short stacking energy: -707.647
Base-Backbone interact. energy: -0.910
local terms energy: -703.192330
where:
bonds (distance) C4'-P energy: -114.780
bonds (distance) P-C4' energy: -128.495
flat angles C4'-P-C4' energy: -146.455
flat angles P-C4'-P energy: -99.986
tors. eta vs tors. theta energy: -213.476
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: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2448.586273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.586273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.195207 (E_RNA)
where:
Base-Base interactions energy: -1747.109
where: short stacking energy: -714.453
Base-Backbone interact. energy: -3.849
local terms energy: -702.237740
where:
bonds (distance) C4'-P energy: -122.784
bonds (distance) P-C4' energy: -120.296
flat angles C4'-P-C4' energy: -133.307
flat angles P-C4'-P energy: -110.125
tors. eta vs tors. theta energy: -215.725
Dist. restrs. and SS energy: 4.609 (S_DIST_RNA)
chem. 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: -2403.285804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.285804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.819016 (E_RNA)
where:
Base-Base interactions energy: -1708.738
where: short stacking energy: -694.089
Base-Backbone interact. energy: -1.682
local terms energy: -697.399523
where:
bonds (distance) C4'-P energy: -108.982
bonds (distance) P-C4' energy: -128.264
flat angles C4'-P-C4' energy: -145.228
flat angles P-C4'-P energy: -103.138
tors. eta vs tors. theta energy: -211.787
Dist. restrs. and SS energy: 4.533 (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: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2275.652307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.652307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.402669 (E_RNA)
where:
Base-Base interactions energy: -1642.638
where: short stacking energy: -671.391
Base-Backbone interact. energy: 0.479
local terms energy: -643.243050
where:
bonds (distance) C4'-P energy: -112.829
bonds (distance) P-C4' energy: -91.560
flat angles C4'-P-C4' energy: -148.455
flat angles P-C4'-P energy: -90.464
tors. eta vs tors. theta energy: -199.935
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: 474
Temperature: 1.300000
Total energy: -2154.749939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.749939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.019411 (E_RNA)
where:
Base-Base interactions energy: -1530.146
where: short stacking energy: -613.172
Base-Backbone interact. energy: -2.860
local terms energy: -633.013250
where:
bonds (distance) C4'-P energy: -107.665
bonds (distance) P-C4' energy: -115.860
flat angles C4'-P-C4' energy: -136.597
flat angles P-C4'-P energy: -85.100
tors. eta vs tors. theta energy: -187.790
Dist. restrs. and SS energy: 11.269 (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: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1993.645049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.645049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.063384 (E_RNA)
where:
Base-Base interactions energy: -1423.606
where: short stacking energy: -558.068
Base-Backbone interact. energy: -2.459
local terms energy: -589.998715
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -99.995
flat angles C4'-P-C4' energy: -131.663
flat angles P-C4'-P energy: -92.611
tors. eta vs tors. theta energy: -179.758
Dist. restrs. and SS energy: 22.418 (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: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2770.956192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.956192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.209279 (E_RNA)
where:
Base-Base interactions energy: -1970.072
where: short stacking energy: -820.978
Base-Backbone interact. energy: -0.506
local terms energy: -809.631167
where:
bonds (distance) C4'-P energy: -129.049
bonds (distance) P-C4' energy: -141.035
flat angles C4'-P-C4' energy: -167.798
flat angles P-C4'-P energy: -112.373
tors. eta vs tors. theta energy: -259.377
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2746.776982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.776982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.612427 (E_RNA)
where:
Base-Base interactions energy: -1945.844
where: short stacking energy: -779.952
Base-Backbone interact. energy: 0.722
local terms energy: -809.490765
where:
bonds (distance) C4'-P energy: -128.778
bonds (distance) P-C4' energy: -144.819
flat angles C4'-P-C4' energy: -169.221
flat angles P-C4'-P energy: -117.077
tors. eta vs tors. theta energy: -249.597
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: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2649.872128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.872128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.454084 (E_RNA)
where:
Base-Base interactions energy: -1874.909
where: short stacking energy: -765.691
Base-Backbone interact. energy: -0.571
local terms energy: -784.973646
where:
bonds (distance) C4'-P energy: -132.146
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -150.320
flat angles P-C4'-P energy: -126.432
tors. eta vs tors. theta energy: -242.669
Dist. restrs. and SS energy: 10.582 (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: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2606.292826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.292826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.069251 (E_RNA)
where:
Base-Base interactions energy: -1852.109
where: short stacking energy: -772.527
Base-Backbone interact. energy: 0.441
local terms energy: -760.400783
where:
bonds (distance) C4'-P energy: -131.971
bonds (distance) P-C4' energy: -126.150
flat angles C4'-P-C4' energy: -156.827
flat angles P-C4'-P energy: -102.190
tors. eta vs tors. theta energy: -243.264
Dist. restrs. and SS energy: 5.776 (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: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2549.390319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.390319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.605254 (E_RNA)
where:
Base-Base interactions energy: -1816.641
where: short stacking energy: -726.555
Base-Backbone interact. energy: 0.703
local terms energy: -743.667783
where:
bonds (distance) C4'-P energy: -139.638
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -155.563
flat angles P-C4'-P energy: -109.871
tors. eta vs tors. theta energy: -235.241
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: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2483.805816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.805816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.214464 (E_RNA)
where:
Base-Base interactions energy: -1736.904
where: short stacking energy: -707.776
Base-Backbone interact. energy: -0.329
local terms energy: -750.981311
where:
bonds (distance) C4'-P energy: -131.520
bonds (distance) P-C4' energy: -131.352
flat angles C4'-P-C4' energy: -156.877
flat angles P-C4'-P energy: -116.095
tors. eta vs tors. theta energy: -215.136
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2359.289511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.289511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.719893 (E_RNA)
where:
Base-Base interactions energy: -1670.732
where: short stacking energy: -666.115
Base-Backbone interact. energy: -1.316
local terms energy: -691.672245
where:
bonds (distance) C4'-P energy: -106.976
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -155.577
flat angles P-C4'-P energy: -80.912
tors. eta vs tors. theta energy: -215.200
Dist. restrs. and SS energy: 4.430 (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: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2256.678708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.678708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.517657 (E_RNA)
where:
Base-Base interactions energy: -1605.827
where: short stacking energy: -640.333
Base-Backbone interact. energy: -1.663
local terms energy: -663.027633
where:
bonds (distance) C4'-P energy: -115.195
bonds (distance) P-C4' energy: -107.338
flat angles C4'-P-C4' energy: -144.847
flat angles P-C4'-P energy: -86.269
tors. eta vs tors. theta energy: -209.378
Dist. restrs. and SS energy: 13.839 (S_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: -2194.745243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.745243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.149613 (E_RNA)
where:
Base-Base interactions energy: -1597.458
where: short stacking energy: -635.157
Base-Backbone interact. energy: -3.404
local terms energy: -605.286839
where:
bonds (distance) C4'-P energy: -94.343
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -127.005
flat angles P-C4'-P energy: -89.865
tors. eta vs tors. theta energy: -189.246
Dist. restrs. and SS energy: 11.404 (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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -2000.048572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.048572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.977569 (E_RNA)
where:
Base-Base interactions energy: -1419.205
where: short stacking energy: -574.496
Base-Backbone interact. energy: -2.343
local terms energy: -597.430075
where:
bonds (distance) C4'-P energy: -108.461
bonds (distance) P-C4' energy: -120.114
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -157.746
Dist. restrs. and SS energy: 18.929 (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: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2777.269064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.269064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.289200 (E_RNA)
where:
Base-Base interactions energy: -1956.043
where: short stacking energy: -822.366
Base-Backbone interact. energy: 0.650
local terms energy: -829.896597
where:
bonds (distance) C4'-P energy: -142.063
bonds (distance) P-C4' energy: -146.660
flat angles C4'-P-C4' energy: -163.148
flat angles P-C4'-P energy: -121.206
tors. eta vs tors. theta energy: -256.819
Dist. restrs. and SS energy: 8.020 (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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2733.512499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.512499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.699907 (E_RNA)
where:
Base-Base interactions energy: -1940.832
where: short stacking energy: -805.260
Base-Backbone interact. energy: -3.107
local terms energy: -796.761171
where:
bonds (distance) C4'-P energy: -131.561
bonds (distance) P-C4' energy: -131.093
flat angles C4'-P-C4' energy: -169.084
flat angles P-C4'-P energy: -120.769
tors. eta vs tors. theta energy: -244.254
Dist. restrs. and SS energy: 7.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2664.041381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.041381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.336163 (E_RNA)
where:
Base-Base interactions energy: -1883.505
where: short stacking energy: -765.870
Base-Backbone interact. energy: -2.691
local terms energy: -787.140130
where:
bonds (distance) C4'-P energy: -130.556
bonds (distance) P-C4' energy: -146.394
flat angles C4'-P-C4' energy: -163.699
flat angles P-C4'-P energy: -104.617
tors. eta vs tors. theta energy: -241.875
Dist. restrs. and SS energy: 9.295 (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: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2595.381842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.381842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.535224 (E_RNA)
where:
Base-Base interactions energy: -1816.494
where: short stacking energy: -750.847
Base-Backbone interact. energy: -2.961
local terms energy: -778.080206
where:
bonds (distance) C4'-P energy: -129.179
bonds (distance) P-C4' energy: -139.341
flat angles C4'-P-C4' energy: -160.619
flat angles P-C4'-P energy: -112.436
tors. eta vs tors. theta energy: -236.506
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2483.442933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.442933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.056831 (E_RNA)
where:
Base-Base interactions energy: -1752.972
where: short stacking energy: -716.749
Base-Backbone interact. energy: -0.212
local terms energy: -732.872649
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -127.713
flat angles C4'-P-C4' energy: -147.690
flat angles P-C4'-P energy: -104.040
tors. eta vs tors. theta energy: -232.208
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2434.686218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.686218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.120918 (E_RNA)
where:
Base-Base interactions energy: -1761.317
where: short stacking energy: -703.466
Base-Backbone interact. energy: -2.418
local terms energy: -683.386130
where:
bonds (distance) C4'-P energy: -106.937
bonds (distance) P-C4' energy: -119.311
flat angles C4'-P-C4' energy: -139.734
flat angles P-C4'-P energy: -103.325
tors. eta vs tors. theta energy: -214.079
Dist. restrs. and SS energy: 12.435 (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: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2349.985430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.985430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.921656 (E_RNA)
where:
Base-Base interactions energy: -1691.214
where: short stacking energy: -682.301
Base-Backbone interact. energy: 6.077
local terms energy: -667.784525
where:
bonds (distance) C4'-P energy: -116.472
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -149.288
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -204.227
Dist. restrs. and SS energy: 2.936 (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: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2209.629322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.629322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.938487 (E_RNA)
where:
Base-Base interactions energy: -1570.531
where: short stacking energy: -630.947
Base-Backbone interact. energy: -2.248
local terms energy: -652.159144
where:
bonds (distance) C4'-P energy: -101.213
bonds (distance) P-C4' energy: -107.901
flat angles C4'-P-C4' energy: -151.816
flat angles P-C4'-P energy: -106.543
tors. eta vs tors. theta energy: -184.687
Dist. restrs. and SS energy: 15.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -2180.153392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.153392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.584650 (E_RNA)
where:
Base-Base interactions energy: -1560.146
where: short stacking energy: -608.087
Base-Backbone interact. energy: -0.120
local terms energy: -627.318145
where:
bonds (distance) C4'-P energy: -104.291
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -137.867
flat angles P-C4'-P energy: -87.533
tors. eta vs tors. theta energy: -194.617
Dist. restrs. and SS energy: 7.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -2006.558231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.558231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.590221 (E_RNA)
where:
Base-Base interactions energy: -1450.851
where: short stacking energy: -563.411
Base-Backbone interact. energy: -0.761
local terms energy: -568.978069
where:
bonds (distance) C4'-P energy: -95.303
bonds (distance) P-C4' energy: -102.593
flat angles C4'-P-C4' energy: -116.159
flat angles P-C4'-P energy: -82.472
tors. eta vs tors. theta energy: -172.451
Dist. restrs. and SS energy: 14.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2757.501523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.501523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.165065 (E_RNA)
where:
Base-Base interactions energy: -1969.618
where: short stacking energy: -814.381
Base-Backbone interact. energy: -0.693
local terms energy: -796.853579
where:
bonds (distance) C4'-P energy: -127.300
bonds (distance) P-C4' energy: -123.807
flat angles C4'-P-C4' energy: -169.583
flat angles P-C4'-P energy: -119.539
tors. eta vs tors. theta energy: -256.625
Dist. restrs. and SS energy: 9.664 (S_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: 477
Temperature: 0.950000
Total energy: -2722.297819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.297819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.726641 (E_RNA)
where:
Base-Base interactions energy: -1925.618
where: short stacking energy: -771.071
Base-Backbone interact. energy: -2.126
local terms energy: -800.983193
where:
bonds (distance) C4'-P energy: -143.899
bonds (distance) P-C4' energy: -150.664
flat angles C4'-P-C4' energy: -149.987
flat angles P-C4'-P energy: -108.845
tors. eta vs tors. theta energy: -247.587
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: 477
Temperature: 1.000000
Total energy: -2666.367871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.367871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.570085 (E_RNA)
where:
Base-Base interactions energy: -1892.151
where: short stacking energy: -792.420
Base-Backbone interact. energy: 3.318
local terms energy: -787.737552
where:
bonds (distance) C4'-P energy: -130.212
bonds (distance) P-C4' energy: -128.310
flat angles C4'-P-C4' energy: -153.750
flat angles P-C4'-P energy: -129.252
tors. eta vs tors. theta energy: -246.214
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: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2579.983781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.983781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.278381 (E_RNA)
where:
Base-Base interactions energy: -1841.000
where: short stacking energy: -744.350
Base-Backbone interact. energy: 4.783
local terms energy: -747.061957
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -117.237
flat angles C4'-P-C4' energy: -160.858
flat angles P-C4'-P energy: -113.871
tors. eta vs tors. theta energy: -229.320
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2483.733367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.733367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.277893 (E_RNA)
where:
Base-Base interactions energy: -1783.437
where: short stacking energy: -723.015
Base-Backbone interact. energy: -3.362
local terms energy: -700.479272
where:
bonds (distance) C4'-P energy: -112.218
bonds (distance) P-C4' energy: -128.217
flat angles C4'-P-C4' energy: -146.322
flat angles P-C4'-P energy: -88.526
tors. eta vs tors. theta energy: -225.196
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: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2410.493580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.493580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.102591 (E_RNA)
where:
Base-Base interactions energy: -1722.091
where: short stacking energy: -692.155
Base-Backbone interact. energy: -2.322
local terms energy: -690.689943
where:
bonds (distance) C4'-P energy: -104.246
bonds (distance) P-C4' energy: -130.714
flat angles C4'-P-C4' energy: -145.423
flat angles P-C4'-P energy: -102.811
tors. eta vs tors. theta energy: -207.497
Dist. restrs. and SS energy: 4.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2382.271473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.271473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.512989 (E_RNA)
where:
Base-Base interactions energy: -1705.631
where: short stacking energy: -669.545
Base-Backbone interact. energy: 0.046
local terms energy: -687.928412
where:
bonds (distance) C4'-P energy: -107.966
bonds (distance) P-C4' energy: -138.788
flat angles C4'-P-C4' energy: -139.261
flat angles P-C4'-P energy: -87.133
tors. eta vs tors. theta energy: -214.780
Dist. restrs. and SS energy: 11.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -2188.421335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.421335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.436507 (E_RNA)
where:
Base-Base interactions energy: -1561.209
where: short stacking energy: -625.654
Base-Backbone interact. energy: 2.325
local terms energy: -642.552204
where:
bonds (distance) C4'-P energy: -113.866
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -137.672
flat angles P-C4'-P energy: -92.128
tors. eta vs tors. theta energy: -188.592
Dist. restrs. and SS energy: 13.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -2198.171528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.171528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.249335 (E_RNA)
where:
Base-Base interactions energy: -1541.719
where: short stacking energy: -638.004
Base-Backbone interact. energy: -0.447
local terms energy: -664.082897
where:
bonds (distance) C4'-P energy: -98.411
bonds (distance) P-C4' energy: -121.980
flat angles C4'-P-C4' energy: -141.927
flat angles P-C4'-P energy: -97.839
tors. eta vs tors. theta energy: -203.926
Dist. restrs. and SS energy: 8.078 (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: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -2014.665443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.665443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.144816 (E_RNA)
where:
Base-Base interactions energy: -1385.345
where: short stacking energy: -562.609
Base-Backbone interact. energy: -1.809
local terms energy: -650.990794
where:
bonds (distance) C4'-P energy: -124.223
bonds (distance) P-C4' energy: -134.337
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -86.347
tors. eta vs tors. theta energy: -169.876
Dist. restrs. and SS energy: 23.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)