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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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/Snord17-7117432f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-7117432f/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........(((((..((((..(((((((((((.(((((((.(((.(((.......((((((((((((((.....)))))).))))))))(((((((.(((((...((..(((((((((...)))))))))..))......)))))..)))))))...))).))).))))..)))))))).(((((((..(((....)))..)))))))........))))))...))))..)))))._
nucl1: 69, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 68, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 67, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 66, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 65, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 64, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 63, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 62, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 61, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 60, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 59, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 59, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 58, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 58, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 57, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 56, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 118, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 118, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 117, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 117, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 116, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 116, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 115, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 115, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 114, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 114, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 113, chain1: 0, <---> nucl2: 127, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 113, chainIndex_2: 0, nuclIndex_2: 127
nucl1: 112, chain1: 0, <---> nucl2: 128, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 112, chainIndex_2: 0, nuclIndex_2: 128
nucl1: 111, chain1: 0, <---> nucl2: 129, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 111, chainIndex_2: 0, nuclIndex_2: 129
nucl1: 110, chain1: 0, <---> nucl2: 130, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 110, chainIndex_2: 0, nuclIndex_2: 130
nucl1: 107, chain1: 0, <---> nucl2: 133, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 107, chainIndex_2: 0, nuclIndex_2: 133
nucl1: 106, chain1: 0, <---> nucl2: 134, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 134
nucl1: 102, chain1: 0, <---> nucl2: 141, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 141
nucl1: 101, chain1: 0, <---> nucl2: 142, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 142
nucl1: 100, chain1: 0, <---> nucl2: 143, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 143
nucl1: 99, chain1: 0, <---> nucl2: 144, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 99, chainIndex_2: 0, nuclIndex_2: 144
nucl1: 98, chain1: 0, <---> nucl2: 145, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 145
nucl1: 96, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 95, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 94, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 94, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 93, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 92, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 91, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 91, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 90, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 48, chain1: 0, <---> nucl2: 158, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 158
nucl1: 47, chain1: 0, <---> nucl2: 159, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 159
nucl1: 46, chain1: 0, <---> nucl2: 160, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 160
nucl1: 44, chain1: 0, <---> nucl2: 162, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 162
nucl1: 43, chain1: 0, <---> nucl2: 163, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 163
nucl1: 42, chain1: 0, <---> nucl2: 164, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 164
nucl1: 40, chain1: 0, <---> nucl2: 166, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 166
nucl1: 39, chain1: 0, <---> nucl2: 167, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 167
nucl1: 38, chain1: 0, <---> nucl2: 168, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 168
nucl1: 37, chain1: 0, <---> nucl2: 169, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 169
nucl1: 36, chain1: 0, <---> nucl2: 172, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 172
nucl1: 35, chain1: 0, <---> nucl2: 173, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 173
nucl1: 34, chain1: 0, <---> nucl2: 174, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 174
nucl1: 32, chain1: 0, <---> nucl2: 175, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 175
nucl1: 31, chain1: 0, <---> nucl2: 176, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 176
nucl1: 30, chain1: 0, <---> nucl2: 177, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 177
nucl1: 29, chain1: 0, <---> nucl2: 178, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 178
nucl1: 28, chain1: 0, <---> nucl2: 179, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 179
nucl1: 192, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 191, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 190, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 187, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 186, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 186, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 185, chain1: 0, <---> nucl2: 204, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 185, chainIndex_2: 0, nuclIndex_2: 204
nucl1: 184, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 183, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 182, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 181, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 27, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 26, chain1: 0, <---> nucl2: 218, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 218
nucl1: 25, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 24, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 23, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 22, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 19, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 18, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 17, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 16, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 229
nucl1: 13, chain1: 0, <---> nucl2: 232, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 232
nucl1: 12, chain1: 0, <---> nucl2: 233, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 233
nucl1: 11, chain1: 0, <---> nucl2: 234, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 234
nucl1: 10, chain1: 0, <---> nucl2: 235, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 235
nucl1: 9, chain1: 0, <---> nucl2: 236, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 236
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 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: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (S_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: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (S_DIST_RNA)
chem. 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: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 10955.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10955.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 11913.473 (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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1521.380727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.380727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.023763 (E_RNA)
where:
Base-Base interactions energy: -989.537
where: short stacking energy: -444.146
Base-Backbone interact. energy: -1.787
local terms energy: -605.700157
where:
bonds (distance) C4'-P energy: -150.887
bonds (distance) P-C4' energy: -150.827
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -64.768
tors. eta vs tors. theta energy: -118.280
Dist. restrs. and SS energy: 75.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1701.450409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.450409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.111964 (E_RNA)
where:
Base-Base interactions energy: -1119.107
where: short stacking energy: -500.834
Base-Backbone interact. energy: -2.397
local terms energy: -631.608056
where:
bonds (distance) C4'-P energy: -146.501
bonds (distance) P-C4' energy: -148.219
flat angles C4'-P-C4' energy: -137.003
flat angles P-C4'-P energy: -88.723
tors. eta vs tors. theta energy: -111.161
Dist. restrs. and SS energy: 51.662 (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: 2
Temperature: 1.000000
Total energy: -1532.587980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.587980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.643146 (E_RNA)
where:
Base-Base interactions energy: -1000.221
where: short stacking energy: -465.081
Base-Backbone interact. energy: -1.518
local terms energy: -612.904118
where:
bonds (distance) C4'-P energy: -155.328
bonds (distance) P-C4' energy: -144.943
flat angles C4'-P-C4' energy: -117.052
flat angles P-C4'-P energy: -77.656
tors. eta vs tors. theta energy: -117.926
Dist. restrs. and SS energy: 82.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1342.084842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.084842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.497242 (E_RNA)
where:
Base-Base interactions energy: -868.059
where: short stacking energy: -360.736
Base-Backbone interact. energy: -1.564
local terms energy: -539.874231
where:
bonds (distance) C4'-P energy: -129.760
bonds (distance) P-C4' energy: -131.404
flat angles C4'-P-C4' energy: -124.770
flat angles P-C4'-P energy: -61.989
tors. eta vs tors. theta energy: -91.950
Dist. restrs. and SS energy: 67.412 (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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1346.534723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.534723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.799283 (E_RNA)
where:
Base-Base interactions energy: -870.609
where: short stacking energy: -394.226
Base-Backbone interact. energy: -1.789
local terms energy: -530.402134
where:
bonds (distance) C4'-P energy: -135.364
bonds (distance) P-C4' energy: -134.232
flat angles C4'-P-C4' energy: -92.836
flat angles P-C4'-P energy: -74.754
tors. eta vs tors. theta energy: -93.217
Dist. restrs. and SS energy: 56.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1366.246699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.246699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.173780 (E_RNA)
where:
Base-Base interactions energy: -873.607
where: short stacking energy: -381.335
Base-Backbone interact. energy: -2.180
local terms energy: -558.387139
where:
bonds (distance) C4'-P energy: -135.991
bonds (distance) P-C4' energy: -128.907
flat angles C4'-P-C4' energy: -130.183
flat angles P-C4'-P energy: -59.253
tors. eta vs tors. theta energy: -104.054
Dist. restrs. and SS energy: 67.927 (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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1398.996522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.531634 (E_RNA)
where:
Base-Base interactions energy: -936.652
where: short stacking energy: -410.255
Base-Backbone interact. energy: 1.519
local terms energy: -525.398532
where:
bonds (distance) C4'-P energy: -129.220
bonds (distance) P-C4' energy: -124.113
flat angles C4'-P-C4' energy: -117.907
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -98.696
Dist. restrs. and SS energy: 61.535 (S_DIST_RNA)
chem. 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: -1232.016835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.016835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.396665 (E_RNA)
where:
Base-Base interactions energy: -822.349
where: short stacking energy: -351.923
Base-Backbone interact. energy: -1.391
local terms energy: -485.656594
where:
bonds (distance) C4'-P energy: -113.339
bonds (distance) P-C4' energy: -121.421
flat angles C4'-P-C4' energy: -110.167
flat angles P-C4'-P energy: -61.534
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 77.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1219.610784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.610784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.734235 (E_RNA)
where:
Base-Base interactions energy: -808.879
where: short stacking energy: -345.376
Base-Backbone interact. energy: 2.409
local terms energy: -481.263920
where:
bonds (distance) C4'-P energy: -106.950
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -118.011
flat angles P-C4'-P energy: -60.442
tors. eta vs tors. theta energy: -70.507
Dist. restrs. and SS energy: 68.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1161.153544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.153544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.915027 (E_RNA)
where:
Base-Base interactions energy: -777.063
where: short stacking energy: -332.886
Base-Backbone interact. energy: -0.183
local terms energy: -462.668817
where:
bonds (distance) C4'-P energy: -108.351
bonds (distance) P-C4' energy: -109.916
flat angles C4'-P-C4' energy: -98.952
flat angles P-C4'-P energy: -72.433
tors. eta vs tors. theta energy: -73.017
Dist. restrs. and SS energy: 78.761 (S_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: -1824.259366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.259366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.460510 (E_RNA)
where:
Base-Base interactions energy: -1196.863
where: short stacking energy: -485.794
Base-Backbone interact. energy: 0.088
local terms energy: -663.685805
where:
bonds (distance) C4'-P energy: -160.555
bonds (distance) P-C4' energy: -159.365
flat angles C4'-P-C4' energy: -137.047
flat angles P-C4'-P energy: -87.206
tors. eta vs tors. theta energy: -119.514
Dist. restrs. and SS energy: 36.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1940.977584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.977584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.393865 (E_RNA)
where:
Base-Base interactions energy: -1315.835
where: short stacking energy: -573.363
Base-Backbone interact. energy: 0.168
local terms energy: -653.727640
where:
bonds (distance) C4'-P energy: -148.654
bonds (distance) P-C4' energy: -160.471
flat angles C4'-P-C4' energy: -132.183
flat angles P-C4'-P energy: -75.710
tors. eta vs tors. theta energy: -136.710
Dist. restrs. and SS energy: 28.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1748.377532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.377532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.246539 (E_RNA)
where:
Base-Base interactions energy: -1189.684
where: short stacking energy: -507.793
Base-Backbone interact. energy: -1.542
local terms energy: -618.020551
where:
bonds (distance) C4'-P energy: -140.024
bonds (distance) P-C4' energy: -136.800
flat angles C4'-P-C4' energy: -154.369
flat angles P-C4'-P energy: -57.446
tors. eta vs tors. theta energy: -129.381
Dist. restrs. and SS energy: 60.869 (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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1626.773200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.350660 (E_RNA)
where:
Base-Base interactions energy: -1091.358
where: short stacking energy: -462.626
Base-Backbone interact. energy: -3.443
local terms energy: -581.549396
where:
bonds (distance) C4'-P energy: -139.371
bonds (distance) P-C4' energy: -137.699
flat angles C4'-P-C4' energy: -128.480
flat angles P-C4'-P energy: -61.877
tors. eta vs tors. theta energy: -114.122
Dist. restrs. and SS energy: 49.577 (S_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: -1554.117277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.121090 (E_RNA)
where:
Base-Base interactions energy: -1020.818
where: short stacking energy: -472.554
Base-Backbone interact. energy: -1.575
local terms energy: -585.727719
where:
bonds (distance) C4'-P energy: -131.315
bonds (distance) P-C4' energy: -134.406
flat angles C4'-P-C4' energy: -130.083
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -120.244
Dist. restrs. and SS energy: 54.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1493.544994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.544994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.715007 (E_RNA)
where:
Base-Base interactions energy: -990.812
where: short stacking energy: -427.474
Base-Backbone interact. energy: -1.855
local terms energy: -552.047839
where:
bonds (distance) C4'-P energy: -120.724
bonds (distance) P-C4' energy: -133.220
flat angles C4'-P-C4' energy: -120.482
flat angles P-C4'-P energy: -67.499
tors. eta vs tors. theta energy: -110.124
Dist. restrs. and SS energy: 51.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1484.867314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.867314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.049228 (E_RNA)
where:
Base-Base interactions energy: -975.270
where: short stacking energy: -421.145
Base-Backbone interact. energy: 0.545
local terms energy: -567.324194
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -125.059
flat angles C4'-P-C4' energy: -130.131
flat angles P-C4'-P energy: -63.997
tors. eta vs tors. theta energy: -109.272
Dist. restrs. and SS energy: 57.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1423.818976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.818976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.695187 (E_RNA)
where:
Base-Base interactions energy: -952.309
where: short stacking energy: -394.201
Base-Backbone interact. energy: -4.674
local terms energy: -521.711848
where:
bonds (distance) C4'-P energy: -136.542
bonds (distance) P-C4' energy: -135.781
flat angles C4'-P-C4' energy: -110.940
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -87.474
Dist. restrs. and SS energy: 54.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1413.109965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.109965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.605612 (E_RNA)
where:
Base-Base interactions energy: -941.759
where: short stacking energy: -411.302
Base-Backbone interact. energy: -1.251
local terms energy: -529.595156
where:
bonds (distance) C4'-P energy: -123.063
bonds (distance) P-C4' energy: -127.092
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: -98.088
Dist. restrs. and SS energy: 59.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1332.877639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.877639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.121522 (E_RNA)
where:
Base-Base interactions energy: -884.055
where: short stacking energy: -365.854
Base-Backbone interact. energy: 0.675
local terms energy: -500.741981
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -128.203
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -66.766
Dist. restrs. and SS energy: 51.244 (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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -2151.385569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.385569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.828755 (E_RNA)
where:
Base-Base interactions energy: -1448.458
where: short stacking energy: -626.417
Base-Backbone interact. energy: -0.789
local terms energy: -726.581993
where:
bonds (distance) C4'-P energy: -150.462
bonds (distance) P-C4' energy: -151.496
flat angles C4'-P-C4' energy: -162.100
flat angles P-C4'-P energy: -104.183
tors. eta vs tors. theta energy: -158.341
Dist. restrs. and SS energy: 24.443 (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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1958.861928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.861928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.551017 (E_RNA)
where:
Base-Base interactions energy: -1332.235
where: short stacking energy: -565.932
Base-Backbone interact. energy: -1.725
local terms energy: -653.590736
where:
bonds (distance) C4'-P energy: -150.094
bonds (distance) P-C4' energy: -145.892
flat angles C4'-P-C4' energy: -129.616
flat angles P-C4'-P energy: -83.781
tors. eta vs tors. theta energy: -144.208
Dist. restrs. and SS energy: 28.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1875.480748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.480748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.946599 (E_RNA)
where:
Base-Base interactions energy: -1290.743
where: short stacking energy: -529.725
Base-Backbone interact. energy: -2.200
local terms energy: -627.003053
where:
bonds (distance) C4'-P energy: -139.411
bonds (distance) P-C4' energy: -143.830
flat angles C4'-P-C4' energy: -145.372
flat angles P-C4'-P energy: -64.744
tors. eta vs tors. theta energy: -133.645
Dist. restrs. and SS energy: 44.466 (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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1771.749901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.749901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.025254 (E_RNA)
where:
Base-Base interactions energy: -1198.165
where: short stacking energy: -516.071
Base-Backbone interact. energy: -0.943
local terms energy: -604.918047
where:
bonds (distance) C4'-P energy: -132.596
bonds (distance) P-C4' energy: -135.368
flat angles C4'-P-C4' energy: -120.800
flat angles P-C4'-P energy: -85.327
tors. eta vs tors. theta energy: -130.827
Dist. restrs. and SS energy: 32.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1745.476420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.476420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.147814 (E_RNA)
where:
Base-Base interactions energy: -1189.290
where: short stacking energy: -506.775
Base-Backbone interact. energy: -0.448
local terms energy: -605.409642
where:
bonds (distance) C4'-P energy: -144.217
bonds (distance) P-C4' energy: -133.736
flat angles C4'-P-C4' energy: -127.685
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -128.072
Dist. restrs. and SS energy: 49.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1589.417916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.417916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.687483 (E_RNA)
where:
Base-Base interactions energy: -1079.916
where: short stacking energy: -427.118
Base-Backbone interact. energy: -1.251
local terms energy: -551.520567
where:
bonds (distance) C4'-P energy: -111.948
bonds (distance) P-C4' energy: -139.066
flat angles C4'-P-C4' energy: -129.060
flat angles P-C4'-P energy: -52.584
tors. eta vs tors. theta energy: -118.863
Dist. restrs. and SS energy: 43.270 (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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1531.977629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.977629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.030827 (E_RNA)
where:
Base-Base interactions energy: -1049.015
where: short stacking energy: -430.641
Base-Backbone interact. energy: -1.629
local terms energy: -513.386011
where:
bonds (distance) C4'-P energy: -109.399
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -123.344
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -113.744
Dist. restrs. and SS energy: 32.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1578.872206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.872206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.751078 (E_RNA)
where:
Base-Base interactions energy: -1075.959
where: short stacking energy: -452.745
Base-Backbone interact. energy: -0.306
local terms energy: -535.486446
where:
bonds (distance) C4'-P energy: -109.550
bonds (distance) P-C4' energy: -127.711
flat angles C4'-P-C4' energy: -110.590
flat angles P-C4'-P energy: -76.845
tors. eta vs tors. theta energy: -110.791
Dist. restrs. and SS energy: 32.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1524.842895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.842895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.719834 (E_RNA)
where:
Base-Base interactions energy: -1045.860
where: short stacking energy: -439.636
Base-Backbone interact. energy: 1.057
local terms energy: -507.916556
where:
bonds (distance) C4'-P energy: -113.414
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -119.539
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -123.248
Dist. restrs. and SS energy: 27.877 (S_DIST_RNA)
chem. 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: -1433.666990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.666990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.176429 (E_RNA)
where:
Base-Base interactions energy: -996.616
where: short stacking energy: -411.166
Base-Backbone interact. energy: 0.773
local terms energy: -488.333297
where:
bonds (distance) C4'-P energy: -97.601
bonds (distance) P-C4' energy: -111.796
flat angles C4'-P-C4' energy: -102.199
flat angles P-C4'-P energy: -81.413
tors. eta vs tors. theta energy: -95.325
Dist. restrs. and SS energy: 50.509 (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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -2140.637765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.637765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.408140 (E_RNA)
where:
Base-Base interactions energy: -1436.322
where: short stacking energy: -598.986
Base-Backbone interact. energy: -2.356
local terms energy: -721.730348
where:
bonds (distance) C4'-P energy: -164.582
bonds (distance) P-C4' energy: -151.105
flat angles C4'-P-C4' energy: -155.449
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -145.754
Dist. restrs. and SS energy: 19.770 (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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1991.720943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.720943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.176799 (E_RNA)
where:
Base-Base interactions energy: -1328.548
where: short stacking energy: -566.125
Base-Backbone interact. energy: -1.555
local terms energy: -701.074579
where:
bonds (distance) C4'-P energy: -146.454
bonds (distance) P-C4' energy: -151.399
flat angles C4'-P-C4' energy: -155.214
flat angles P-C4'-P energy: -88.942
tors. eta vs tors. theta energy: -159.066
Dist. restrs. and SS energy: 39.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1971.024602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.024602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.984263 (E_RNA)
where:
Base-Base interactions energy: -1335.638
where: short stacking energy: -595.260
Base-Backbone interact. energy: -1.874
local terms energy: -663.472980
where:
bonds (distance) C4'-P energy: -144.889
bonds (distance) P-C4' energy: -146.152
flat angles C4'-P-C4' energy: -141.878
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -149.144
Dist. restrs. and SS energy: 29.960 (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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1804.877477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.877477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.661289 (E_RNA)
where:
Base-Base interactions energy: -1264.642
where: short stacking energy: -514.247
Base-Backbone interact. energy: -1.194
local terms energy: -565.825158
where:
bonds (distance) C4'-P energy: -120.074
bonds (distance) P-C4' energy: -126.893
flat angles C4'-P-C4' energy: -121.913
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -121.002
Dist. restrs. and SS energy: 26.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1740.065983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.065983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.820761 (E_RNA)
where:
Base-Base interactions energy: -1164.993
where: short stacking energy: -457.924
Base-Backbone interact. energy: -1.113
local terms energy: -620.715037
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -142.065
flat angles C4'-P-C4' energy: -139.551
flat angles P-C4'-P energy: -78.248
tors. eta vs tors. theta energy: -126.034
Dist. restrs. and SS energy: 46.755 (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: 5
Temperature: 1.150000
Total energy: -1678.120083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.120083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.212148 (E_RNA)
where:
Base-Base interactions energy: -1158.337
where: short stacking energy: -472.842
Base-Backbone interact. energy: 1.414
local terms energy: -558.289184
where:
bonds (distance) C4'-P energy: -117.367
bonds (distance) P-C4' energy: -133.073
flat angles C4'-P-C4' energy: -120.526
flat angles P-C4'-P energy: -64.221
tors. eta vs tors. theta energy: -123.102
Dist. restrs. and SS energy: 37.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1607.110872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.110872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.371701 (E_RNA)
where:
Base-Base interactions energy: -1131.967
where: short stacking energy: -502.968
Base-Backbone interact. energy: -1.915
local terms energy: -528.489675
where:
bonds (distance) C4'-P energy: -112.154
bonds (distance) P-C4' energy: -138.830
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -59.822
tors. eta vs tors. theta energy: -111.136
Dist. restrs. and SS energy: 55.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1792.841725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.841725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.241506 (E_RNA)
where:
Base-Base interactions energy: -1237.719
where: short stacking energy: -564.563
Base-Backbone interact. energy: -0.103
local terms energy: -590.418863
where:
bonds (distance) C4'-P energy: -121.102
bonds (distance) P-C4' energy: -102.003
flat angles C4'-P-C4' energy: -134.782
flat angles P-C4'-P energy: -75.630
tors. eta vs tors. theta energy: -156.903
Dist. restrs. and SS energy: 35.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1541.067079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.067079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.340732 (E_RNA)
where:
Base-Base interactions energy: -1001.360
where: short stacking energy: -416.284
Base-Backbone interact. energy: 0.056
local terms energy: -588.036943
where:
bonds (distance) C4'-P energy: -122.705
bonds (distance) P-C4' energy: -143.033
flat angles C4'-P-C4' energy: -143.101
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -114.220
Dist. restrs. and SS energy: 48.274 (S_DIST_RNA)
chem. 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: -1514.426125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.426125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.096270 (E_RNA)
where:
Base-Base interactions energy: -1066.352
where: short stacking energy: -453.870
Base-Backbone interact. energy: -2.689
local terms energy: -497.054999
where:
bonds (distance) C4'-P energy: -96.036
bonds (distance) P-C4' energy: -118.043
flat angles C4'-P-C4' energy: -112.502
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -100.769
Dist. restrs. and SS energy: 51.670 (S_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: 6
Temperature: 0.900000
Total energy: -2213.350016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.350016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.546813 (E_RNA)
where:
Base-Base interactions energy: -1537.832
where: short stacking energy: -657.588
Base-Backbone interact. energy: -1.152
local terms energy: -697.562785
where:
bonds (distance) C4'-P energy: -142.552
bonds (distance) P-C4' energy: -140.309
flat angles C4'-P-C4' energy: -157.882
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -165.701
Dist. restrs. and SS energy: 23.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -2057.093806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.093806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.708298 (E_RNA)
where:
Base-Base interactions energy: -1430.977
where: short stacking energy: -594.810
Base-Backbone interact. energy: 5.977
local terms energy: -675.708070
where:
bonds (distance) C4'-P energy: -145.170
bonds (distance) P-C4' energy: -148.657
flat angles C4'-P-C4' energy: -141.752
flat angles P-C4'-P energy: -86.712
tors. eta vs tors. theta energy: -153.417
Dist. restrs. and SS energy: 43.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1980.873331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.873331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.820919 (E_RNA)
where:
Base-Base interactions energy: -1347.869
where: short stacking energy: -586.096
Base-Backbone interact. energy: -0.897
local terms energy: -660.055105
where:
bonds (distance) C4'-P energy: -130.035
bonds (distance) P-C4' energy: -144.536
flat angles C4'-P-C4' energy: -139.726
flat angles P-C4'-P energy: -83.867
tors. eta vs tors. theta energy: -161.891
Dist. restrs. and SS energy: 27.948 (S_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: 6
Temperature: 1.050000
Total energy: -1939.022871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.022871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.140777 (E_RNA)
where:
Base-Base interactions energy: -1331.187
where: short stacking energy: -555.834
Base-Backbone interact. energy: -4.810
local terms energy: -637.143719
where:
bonds (distance) C4'-P energy: -126.462
bonds (distance) P-C4' energy: -124.322
flat angles C4'-P-C4' energy: -144.815
flat angles P-C4'-P energy: -92.672
tors. eta vs tors. theta energy: -148.873
Dist. restrs. and SS energy: 34.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1801.698531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.698531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.768932 (E_RNA)
where:
Base-Base interactions energy: -1214.237
where: short stacking energy: -524.590
Base-Backbone interact. energy: -1.575
local terms energy: -612.956542
where:
bonds (distance) C4'-P energy: -118.570
bonds (distance) P-C4' energy: -146.242
flat angles C4'-P-C4' energy: -135.939
flat angles P-C4'-P energy: -80.639
tors. eta vs tors. theta energy: -131.566
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: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1669.766897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.766897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.927409 (E_RNA)
where:
Base-Base interactions energy: -1107.704
where: short stacking energy: -475.845
Base-Backbone interact. energy: 0.559
local terms energy: -600.782839
where:
bonds (distance) C4'-P energy: -120.107
bonds (distance) P-C4' energy: -123.443
flat angles C4'-P-C4' energy: -116.369
flat angles P-C4'-P energy: -90.671
tors. eta vs tors. theta energy: -150.194
Dist. restrs. and SS energy: 38.161 (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: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1886.040987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.040987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.861856 (E_RNA)
where:
Base-Base interactions energy: -1296.661
where: short stacking energy: -554.766
Base-Backbone interact. energy: -0.216
local terms energy: -606.984458
where:
bonds (distance) C4'-P energy: -123.625
bonds (distance) P-C4' energy: -119.333
flat angles C4'-P-C4' energy: -139.706
flat angles P-C4'-P energy: -67.446
tors. eta vs tors. theta energy: -156.874
Dist. restrs. and SS energy: 17.821 (S_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: 6
Temperature: 1.250000
Total energy: -1619.392800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.392800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.250177 (E_RNA)
where:
Base-Base interactions energy: -1061.800
where: short stacking energy: -458.990
Base-Backbone interact. energy: 0.288
local terms energy: -592.738116
where:
bonds (distance) C4'-P energy: -108.950
bonds (distance) P-C4' energy: -138.625
flat angles C4'-P-C4' energy: -137.666
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -128.306
Dist. restrs. and SS energy: 34.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1608.178328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.178328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.260196 (E_RNA)
where:
Base-Base interactions energy: -1112.663
where: short stacking energy: -461.100
Base-Backbone interact. energy: 1.894
local terms energy: -527.490744
where:
bonds (distance) C4'-P energy: -115.081
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -82.110
tors. eta vs tors. theta energy: -120.755
Dist. restrs. and SS energy: 30.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1536.472318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.472318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.923471 (E_RNA)
where:
Base-Base interactions energy: -1040.300
where: short stacking energy: -417.037
Base-Backbone interact. energy: 2.157
local terms energy: -542.780754
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -130.922
flat angles C4'-P-C4' energy: -110.187
flat angles P-C4'-P energy: -75.785
tors. eta vs tors. theta energy: -115.369
Dist. restrs. and SS energy: 44.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -2238.264625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.264625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.596429 (E_RNA)
where:
Base-Base interactions energy: -1520.622
where: short stacking energy: -644.955
Base-Backbone interact. energy: -3.033
local terms energy: -734.941411
where:
bonds (distance) C4'-P energy: -157.210
bonds (distance) P-C4' energy: -152.130
flat angles C4'-P-C4' energy: -155.631
flat angles P-C4'-P energy: -101.777
tors. eta vs tors. theta energy: -168.193
Dist. restrs. and SS energy: 20.332 (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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -2095.992842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.069208 (E_RNA)
where:
Base-Base interactions energy: -1451.221
where: short stacking energy: -607.056
Base-Backbone interact. energy: -2.342
local terms energy: -679.505658
where:
bonds (distance) C4'-P energy: -135.939
bonds (distance) P-C4' energy: -142.388
flat angles C4'-P-C4' energy: -148.061
flat angles P-C4'-P energy: -96.384
tors. eta vs tors. theta energy: -156.734
Dist. restrs. and SS energy: 37.076 (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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -2106.807170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.807170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.620454 (E_RNA)
where:
Base-Base interactions energy: -1446.776
where: short stacking energy: -645.238
Base-Backbone interact. energy: -3.043
local terms energy: -678.801905
where:
bonds (distance) C4'-P energy: -134.327
bonds (distance) P-C4' energy: -125.819
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -96.499
tors. eta vs tors. theta energy: -175.159
Dist. restrs. and SS energy: 21.813 (S_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: 7
Temperature: 1.050000
Total energy: -1975.966671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.966671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.387713 (E_RNA)
where:
Base-Base interactions energy: -1356.567
where: short stacking energy: -567.969
Base-Backbone interact. energy: -1.768
local terms energy: -642.053028
where:
bonds (distance) C4'-P energy: -133.937
bonds (distance) P-C4' energy: -131.209
flat angles C4'-P-C4' energy: -139.985
flat angles P-C4'-P energy: -82.405
tors. eta vs tors. theta energy: -154.517
Dist. restrs. and SS energy: 24.421 (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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1851.911424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.911424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.523748 (E_RNA)
where:
Base-Base interactions energy: -1252.961
where: short stacking energy: -510.671
Base-Backbone interact. energy: 0.280
local terms energy: -626.843181
where:
bonds (distance) C4'-P energy: -138.810
bonds (distance) P-C4' energy: -139.415
flat angles C4'-P-C4' energy: -130.365
flat angles P-C4'-P energy: -86.795
tors. eta vs tors. theta energy: -131.457
Dist. restrs. and SS energy: 27.612 (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: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1974.830476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.830476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.584249 (E_RNA)
where:
Base-Base interactions energy: -1387.716
where: short stacking energy: -587.836
Base-Backbone interact. energy: -0.753
local terms energy: -600.115402
where:
bonds (distance) C4'-P energy: -126.338
bonds (distance) P-C4' energy: -111.026
flat angles C4'-P-C4' energy: -131.848
flat angles P-C4'-P energy: -73.573
tors. eta vs tors. theta energy: -157.331
Dist. restrs. and SS energy: 13.754 (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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1785.455720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.455720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.022573 (E_RNA)
where:
Base-Base interactions energy: -1201.996
where: short stacking energy: -502.787
Base-Backbone interact. energy: -1.728
local terms energy: -613.299276
where:
bonds (distance) C4'-P energy: -131.580
bonds (distance) P-C4' energy: -135.369
flat angles C4'-P-C4' energy: -127.853
flat angles P-C4'-P energy: -83.324
tors. eta vs tors. theta energy: -135.173
Dist. restrs. and SS energy: 31.567 (S_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: -1772.358561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.358561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.407356 (E_RNA)
where:
Base-Base interactions energy: -1222.498
where: short stacking energy: -494.654
Base-Backbone interact. energy: -2.105
local terms energy: -567.803947
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -123.949
flat angles C4'-P-C4' energy: -119.785
flat angles P-C4'-P energy: -67.168
tors. eta vs tors. theta energy: -130.597
Dist. restrs. and SS energy: 20.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1637.256486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.256486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.281237 (E_RNA)
where:
Base-Base interactions energy: -1131.107
where: short stacking energy: -456.116
Base-Backbone interact. energy: -3.087
local terms energy: -532.087330
where:
bonds (distance) C4'-P energy: -99.433
bonds (distance) P-C4' energy: -127.211
flat angles C4'-P-C4' energy: -118.651
flat angles P-C4'-P energy: -65.925
tors. eta vs tors. theta energy: -120.868
Dist. restrs. and SS energy: 29.025 (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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1546.322836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.322836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.424619 (E_RNA)
where:
Base-Base interactions energy: -1042.805
where: short stacking energy: -439.642
Base-Backbone interact. energy: -1.502
local terms energy: -547.118040
where:
bonds (distance) C4'-P energy: -127.275
bonds (distance) P-C4' energy: -124.190
flat angles C4'-P-C4' energy: -101.482
flat angles P-C4'-P energy: -66.645
tors. eta vs tors. theta energy: -127.526
Dist. restrs. and SS energy: 45.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -2202.370422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.370422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.368934 (E_RNA)
where:
Base-Base interactions energy: -1489.424
where: short stacking energy: -630.111
Base-Backbone interact. energy: -2.223
local terms energy: -730.721758
where:
bonds (distance) C4'-P energy: -142.505
bonds (distance) P-C4' energy: -174.921
flat angles C4'-P-C4' energy: -146.271
flat angles P-C4'-P energy: -102.507
tors. eta vs tors. theta energy: -164.518
Dist. restrs. and SS energy: 19.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -2094.626197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.626197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.259572 (E_RNA)
where:
Base-Base interactions energy: -1434.948
where: short stacking energy: -591.440
Base-Backbone interact. energy: -1.254
local terms energy: -693.057690
where:
bonds (distance) C4'-P energy: -138.514
bonds (distance) P-C4' energy: -145.961
flat angles C4'-P-C4' energy: -154.419
flat angles P-C4'-P energy: -93.785
tors. eta vs tors. theta energy: -160.378
Dist. restrs. and SS energy: 34.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -2111.444055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.444055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.397190 (E_RNA)
where:
Base-Base interactions energy: -1448.812
where: short stacking energy: -591.541
Base-Backbone interact. energy: -0.995
local terms energy: -674.590018
where:
bonds (distance) C4'-P energy: -134.893
bonds (distance) P-C4' energy: -145.213
flat angles C4'-P-C4' energy: -157.456
flat angles P-C4'-P energy: -90.819
tors. eta vs tors. theta energy: -146.209
Dist. restrs. and SS energy: 12.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1990.036175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.036175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.315309 (E_RNA)
where:
Base-Base interactions energy: -1380.002
where: short stacking energy: -577.669
Base-Backbone interact. energy: -0.802
local terms energy: -639.510654
where:
bonds (distance) C4'-P energy: -128.138
bonds (distance) P-C4' energy: -138.655
flat angles C4'-P-C4' energy: -137.502
flat angles P-C4'-P energy: -77.718
tors. eta vs tors. theta energy: -157.498
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: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -2132.548648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.548648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.825401 (E_RNA)
where:
Base-Base interactions energy: -1445.516
where: short stacking energy: -637.941
Base-Backbone interact. energy: -1.475
local terms energy: -700.834230
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -135.548
flat angles C4'-P-C4' energy: -161.755
flat angles P-C4'-P energy: -88.960
tors. eta vs tors. theta energy: -183.115
Dist. restrs. and SS energy: 15.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1813.226913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.226913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.383235 (E_RNA)
where:
Base-Base interactions energy: -1216.225
where: short stacking energy: -521.058
Base-Backbone interact. energy: -0.421
local terms energy: -627.738021
where:
bonds (distance) C4'-P energy: -126.114
bonds (distance) P-C4' energy: -129.061
flat angles C4'-P-C4' energy: -143.013
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -150.160
Dist. restrs. and SS energy: 31.156 (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: 8
Temperature: 1.200000
Total energy: -1908.627930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.627930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.614906 (E_RNA)
where:
Base-Base interactions energy: -1341.098
where: short stacking energy: -558.966
Base-Backbone interact. energy: -2.883
local terms energy: -587.633697
where:
bonds (distance) C4'-P energy: -114.587
bonds (distance) P-C4' energy: -123.864
flat angles C4'-P-C4' energy: -128.236
flat angles P-C4'-P energy: -63.285
tors. eta vs tors. theta energy: -157.662
Dist. restrs. and SS energy: 22.987 (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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1808.759798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.759798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.675114 (E_RNA)
where:
Base-Base interactions energy: -1261.897
where: short stacking energy: -535.198
Base-Backbone interact. energy: -2.996
local terms energy: -568.781906
where:
bonds (distance) C4'-P energy: -95.915
bonds (distance) P-C4' energy: -137.175
flat angles C4'-P-C4' energy: -140.223
flat angles P-C4'-P energy: -64.391
tors. eta vs tors. theta energy: -131.077
Dist. restrs. and SS energy: 24.915 (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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1640.187656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.187656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.266207 (E_RNA)
where:
Base-Base interactions energy: -1145.698
where: short stacking energy: -503.126
Base-Backbone interact. energy: -4.342
local terms energy: -543.225939
where:
bonds (distance) C4'-P energy: -120.443
bonds (distance) P-C4' energy: -95.938
flat angles C4'-P-C4' energy: -122.222
flat angles P-C4'-P energy: -72.062
tors. eta vs tors. theta energy: -132.561
Dist. restrs. and SS energy: 53.079 (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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1556.905481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.905481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.497380 (E_RNA)
where:
Base-Base interactions energy: -1059.072
where: short stacking energy: -427.829
Base-Backbone interact. energy: -1.032
local terms energy: -535.393100
where:
bonds (distance) C4'-P energy: -111.917
bonds (distance) P-C4' energy: -122.101
flat angles C4'-P-C4' energy: -119.309
flat angles P-C4'-P energy: -66.929
tors. eta vs tors. theta energy: -115.138
Dist. restrs. and SS energy: 38.592 (S_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: 9
Temperature: 0.900000
Total energy: -2215.928111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.928111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.823472 (E_RNA)
where:
Base-Base interactions energy: -1521.870
where: short stacking energy: -651.751
Base-Backbone interact. energy: 3.017
local terms energy: -719.970706
where:
bonds (distance) C4'-P energy: -146.988
bonds (distance) P-C4' energy: -146.674
flat angles C4'-P-C4' energy: -148.927
flat angles P-C4'-P energy: -105.166
tors. eta vs tors. theta energy: -172.216
Dist. restrs. and SS energy: 22.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -2249.004408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.004408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.231587 (E_RNA)
where:
Base-Base interactions energy: -1562.867
where: short stacking energy: -674.235
Base-Backbone interact. energy: -1.348
local terms energy: -701.016578
where:
bonds (distance) C4'-P energy: -116.777
bonds (distance) P-C4' energy: -158.480
flat angles C4'-P-C4' energy: -164.678
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -172.596
Dist. restrs. and SS energy: 16.227 (S_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: -2054.352446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.352446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.149060 (E_RNA)
where:
Base-Base interactions energy: -1405.367
where: short stacking energy: -620.374
Base-Backbone interact. energy: -3.994
local terms energy: -684.788168
where:
bonds (distance) C4'-P energy: -136.278
bonds (distance) P-C4' energy: -147.707
flat angles C4'-P-C4' energy: -146.206
flat angles P-C4'-P energy: -101.321
tors. eta vs tors. theta energy: -153.276
Dist. restrs. and SS energy: 39.797 (S_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: 9
Temperature: 1.050000
Total energy: -2155.602817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.602817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.804287 (E_RNA)
where:
Base-Base interactions energy: -1495.414
where: short stacking energy: -643.381
Base-Backbone interact. energy: -3.928
local terms energy: -669.462640
where:
bonds (distance) C4'-P energy: -119.292
bonds (distance) P-C4' energy: -140.503
flat angles C4'-P-C4' energy: -142.542
flat angles P-C4'-P energy: -80.877
tors. eta vs tors. theta energy: -186.249
Dist. restrs. and SS energy: 13.201 (S_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: -1996.838716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.838716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.292437 (E_RNA)
where:
Base-Base interactions energy: -1376.483
where: short stacking energy: -571.869
Base-Backbone interact. energy: -3.252
local terms energy: -644.558119
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -135.831
flat angles C4'-P-C4' energy: -137.820
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -167.776
Dist. restrs. and SS energy: 27.454 (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: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1974.661769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.661769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.549312 (E_RNA)
where:
Base-Base interactions energy: -1369.870
where: short stacking energy: -579.162
Base-Backbone interact. energy: -1.695
local terms energy: -625.984848
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -133.217
flat angles C4'-P-C4' energy: -142.965
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -146.981
Dist. restrs. and SS energy: 22.888 (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: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1814.674224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.674224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.877887 (E_RNA)
where:
Base-Base interactions energy: -1239.366
where: short stacking energy: -530.355
Base-Backbone interact. energy: -0.830
local terms energy: -613.682351
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -139.126
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -153.853
Dist. restrs. and SS energy: 39.204 (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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1945.256398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.256398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.967157 (E_RNA)
where:
Base-Base interactions energy: -1356.320
where: short stacking energy: -548.436
Base-Backbone interact. energy: -3.572
local terms energy: -611.075484
where:
bonds (distance) C4'-P energy: -107.615
bonds (distance) P-C4' energy: -128.619
flat angles C4'-P-C4' energy: -146.897
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -145.450
Dist. restrs. and SS energy: 25.711 (S_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: 9
Temperature: 1.300000
Total energy: -1631.658854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.658854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.181673 (E_RNA)
where:
Base-Base interactions energy: -1120.706
where: short stacking energy: -464.508
Base-Backbone interact. energy: -2.114
local terms energy: -540.361583
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -104.013
flat angles C4'-P-C4' energy: -114.863
flat angles P-C4'-P energy: -70.196
tors. eta vs tors. theta energy: -125.404
Dist. restrs. and SS energy: 31.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1481.106106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.106106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.120246 (E_RNA)
where:
Base-Base interactions energy: -1028.022
where: short stacking energy: -430.140
Base-Backbone interact. energy: 5.359
local terms energy: -511.456993
where:
bonds (distance) C4'-P energy: -105.783
bonds (distance) P-C4' energy: -110.970
flat angles C4'-P-C4' energy: -129.859
flat angles P-C4'-P energy: -57.673
tors. eta vs tors. theta energy: -107.172
Dist. restrs. and SS energy: 53.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2309.215030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.215030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.993822 (E_RNA)
where:
Base-Base interactions energy: -1591.592
where: short stacking energy: -666.197
Base-Backbone interact. energy: -1.667
local terms energy: -731.735252
where:
bonds (distance) C4'-P energy: -154.052
bonds (distance) P-C4' energy: -142.813
flat angles C4'-P-C4' energy: -164.794
flat angles P-C4'-P energy: -93.187
tors. eta vs tors. theta energy: -176.890
Dist. restrs. and SS energy: 15.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -2194.710002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.710002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.478819 (E_RNA)
where:
Base-Base interactions energy: -1524.916
where: short stacking energy: -637.454
Base-Backbone interact. energy: -0.734
local terms energy: -690.829078
where:
bonds (distance) C4'-P energy: -156.499
bonds (distance) P-C4' energy: -142.530
flat angles C4'-P-C4' energy: -143.536
flat angles P-C4'-P energy: -80.229
tors. eta vs tors. theta energy: -168.034
Dist. restrs. and SS energy: 21.769 (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: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2254.210178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.210178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.585354 (E_RNA)
where:
Base-Base interactions energy: -1570.363
where: short stacking energy: -674.778
Base-Backbone interact. energy: -1.673
local terms energy: -696.548999
where:
bonds (distance) C4'-P energy: -130.885
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -163.065
flat angles P-C4'-P energy: -87.655
tors. eta vs tors. theta energy: -187.929
Dist. restrs. and SS energy: 14.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -2037.078411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.078411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.720825 (E_RNA)
where:
Base-Base interactions energy: -1393.911
where: short stacking energy: -596.820
Base-Backbone interact. energy: -2.150
local terms energy: -679.659758
where:
bonds (distance) C4'-P energy: -133.053
bonds (distance) P-C4' energy: -143.035
flat angles C4'-P-C4' energy: -152.926
flat angles P-C4'-P energy: -83.679
tors. eta vs tors. theta energy: -166.968
Dist. restrs. and SS energy: 38.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -2049.572444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.572444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.621696 (E_RNA)
where:
Base-Base interactions energy: -1406.220
where: short stacking energy: -590.289
Base-Backbone interact. energy: 1.258
local terms energy: -663.659815
where:
bonds (distance) C4'-P energy: -120.950
bonds (distance) P-C4' energy: -140.860
flat angles C4'-P-C4' energy: -145.305
flat angles P-C4'-P energy: -92.510
tors. eta vs tors. theta energy: -164.034
Dist. restrs. and SS energy: 19.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1923.809627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.809627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.726087 (E_RNA)
where:
Base-Base interactions energy: -1321.520
where: short stacking energy: -553.707
Base-Backbone interact. energy: -2.269
local terms energy: -618.937326
where:
bonds (distance) C4'-P energy: -129.234
bonds (distance) P-C4' energy: -136.197
flat angles C4'-P-C4' energy: -135.260
flat angles P-C4'-P energy: -64.466
tors. eta vs tors. theta energy: -153.780
Dist. restrs. and SS energy: 18.916 (S_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: 10
Temperature: 1.200000
Total energy: -1990.444567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.444567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.346818 (E_RNA)
where:
Base-Base interactions energy: -1382.164
where: short stacking energy: -581.283
Base-Backbone interact. energy: -1.607
local terms energy: -624.575610
where:
bonds (distance) C4'-P energy: -112.654
bonds (distance) P-C4' energy: -119.825
flat angles C4'-P-C4' energy: -138.842
flat angles P-C4'-P energy: -96.744
tors. eta vs tors. theta energy: -156.511
Dist. restrs. and SS energy: 17.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1803.556428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.556428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.038027 (E_RNA)
where:
Base-Base interactions energy: -1236.495
where: short stacking energy: -504.671
Base-Backbone interact. energy: 0.349
local terms energy: -590.891386
where:
bonds (distance) C4'-P energy: -112.006
bonds (distance) P-C4' energy: -135.378
flat angles C4'-P-C4' energy: -124.800
flat angles P-C4'-P energy: -83.545
tors. eta vs tors. theta energy: -135.163
Dist. restrs. and SS energy: 23.482 (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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1674.142456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.142456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.679415 (E_RNA)
where:
Base-Base interactions energy: -1144.273
where: short stacking energy: -469.270
Base-Backbone interact. energy: -1.198
local terms energy: -576.208518
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -126.932
flat angles C4'-P-C4' energy: -127.007
flat angles P-C4'-P energy: -72.335
tors. eta vs tors. theta energy: -130.973
Dist. restrs. and SS energy: 47.537 (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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1448.225104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.225104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.282039 (E_RNA)
where:
Base-Base interactions energy: -987.601
where: short stacking energy: -434.399
Base-Backbone interact. energy: -2.451
local terms energy: -520.230258
where:
bonds (distance) C4'-P energy: -112.496
bonds (distance) P-C4' energy: -108.166
flat angles C4'-P-C4' energy: -129.264
flat angles P-C4'-P energy: -67.324
tors. eta vs tors. theta energy: -102.980
Dist. restrs. and SS energy: 62.057 (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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -2351.867789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.867789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.258525 (E_RNA)
where:
Base-Base interactions energy: -1647.701
where: short stacking energy: -658.876
Base-Backbone interact. energy: -3.315
local terms energy: -715.242647
where:
bonds (distance) C4'-P energy: -142.529
bonds (distance) P-C4' energy: -142.983
flat angles C4'-P-C4' energy: -154.084
flat angles P-C4'-P energy: -97.662
tors. eta vs tors. theta energy: -177.986
Dist. restrs. and SS energy: 14.391 (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: 8
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2375.460717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.460717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.060558 (E_RNA)
where:
Base-Base interactions energy: -1649.405
where: short stacking energy: -690.165
Base-Backbone interact. energy: -0.386
local terms energy: -737.269426
where:
bonds (distance) C4'-P energy: -146.460
bonds (distance) P-C4' energy: -135.216
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -103.224
tors. eta vs tors. theta energy: -185.237
Dist. restrs. and SS energy: 11.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -2142.905958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.905958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.519840 (E_RNA)
where:
Base-Base interactions energy: -1481.626
where: short stacking energy: -646.545
Base-Backbone interact. energy: -3.106
local terms energy: -685.787803
where:
bonds (distance) C4'-P energy: -138.478
bonds (distance) P-C4' energy: -131.837
flat angles C4'-P-C4' energy: -142.936
flat angles P-C4'-P energy: -96.233
tors. eta vs tors. theta energy: -176.304
Dist. restrs. and SS energy: 27.614 (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: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2112.709289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.709289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.960426 (E_RNA)
where:
Base-Base interactions energy: -1454.725
where: short stacking energy: -613.177
Base-Backbone interact. energy: 0.014
local terms energy: -672.249663
where:
bonds (distance) C4'-P energy: -129.643
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -158.611
flat angles P-C4'-P energy: -86.497
tors. eta vs tors. theta energy: -153.581
Dist. restrs. and SS energy: 14.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -2023.631977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.631977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.410283 (E_RNA)
where:
Base-Base interactions energy: -1391.259
where: short stacking energy: -600.042
Base-Backbone interact. energy: 0.854
local terms energy: -676.006069
where:
bonds (distance) C4'-P energy: -136.077
bonds (distance) P-C4' energy: -137.750
flat angles C4'-P-C4' energy: -135.875
flat angles P-C4'-P energy: -96.481
tors. eta vs tors. theta energy: -169.823
Dist. restrs. and SS energy: 42.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -2116.988404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.011043 (E_RNA)
where:
Base-Base interactions energy: -1468.993
where: short stacking energy: -615.163
Base-Backbone interact. energy: -0.208
local terms energy: -662.810194
where:
bonds (distance) C4'-P energy: -141.815
bonds (distance) P-C4' energy: -129.362
flat angles C4'-P-C4' energy: -148.768
flat angles P-C4'-P energy: -68.827
tors. eta vs tors. theta energy: -174.038
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: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1860.907446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.907446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.214590 (E_RNA)
where:
Base-Base interactions energy: -1295.359
where: short stacking energy: -529.374
Base-Backbone interact. energy: -2.241
local terms energy: -586.615403
where:
bonds (distance) C4'-P energy: -136.129
bonds (distance) P-C4' energy: -121.498
flat angles C4'-P-C4' energy: -138.966
flat angles P-C4'-P energy: -51.898
tors. eta vs tors. theta energy: -138.124
Dist. restrs. and SS energy: 23.307 (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: 11
Temperature: 1.250000
Total energy: -1819.108438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.108438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.075374 (E_RNA)
where:
Base-Base interactions energy: -1268.779
where: short stacking energy: -525.127
Base-Backbone interact. energy: -0.258
local terms energy: -577.038562
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -117.832
flat angles C4'-P-C4' energy: -130.329
flat angles P-C4'-P energy: -78.534
tors. eta vs tors. theta energy: -139.445
Dist. restrs. and SS energy: 26.967 (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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1677.191896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.191896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.332803 (E_RNA)
where:
Base-Base interactions energy: -1173.348
where: short stacking energy: -490.898
Base-Backbone interact. energy: -1.648
local terms energy: -543.336681
where:
bonds (distance) C4'-P energy: -112.277
bonds (distance) P-C4' energy: -122.465
flat angles C4'-P-C4' energy: -133.801
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -128.099
Dist. restrs. and SS energy: 41.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1512.567179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.567179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.012526 (E_RNA)
where:
Base-Base interactions energy: -1048.650
where: short stacking energy: -454.218
Base-Backbone interact. energy: -4.023
local terms energy: -514.340416
where:
bonds (distance) C4'-P energy: -90.156
bonds (distance) P-C4' energy: -102.799
flat angles C4'-P-C4' energy: -128.642
flat angles P-C4'-P energy: -68.247
tors. eta vs tors. theta energy: -124.497
Dist. restrs. and SS energy: 54.445 (S_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: 12
Temperature: 0.900000
Total energy: -2368.742075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.742075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.869072 (E_RNA)
where:
Base-Base interactions energy: -1636.315
where: short stacking energy: -670.914
Base-Backbone interact. energy: -0.213
local terms energy: -747.341790
where:
bonds (distance) C4'-P energy: -144.693
bonds (distance) P-C4' energy: -145.446
flat angles C4'-P-C4' energy: -150.630
flat angles P-C4'-P energy: -117.464
tors. eta vs tors. theta energy: -189.108
Dist. restrs. and SS energy: 15.127 (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: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2396.804011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.804011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.736423 (E_RNA)
where:
Base-Base interactions energy: -1643.436
where: short stacking energy: -693.031
Base-Backbone interact. energy: -1.912
local terms energy: -762.388145
where:
bonds (distance) C4'-P energy: -132.167
bonds (distance) P-C4' energy: -149.705
flat angles C4'-P-C4' energy: -168.905
flat angles P-C4'-P energy: -107.963
tors. eta vs tors. theta energy: -203.648
Dist. restrs. and SS energy: 10.932 (S_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: 12
Temperature: 1.000000
Total energy: -2150.329631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.329631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.168611 (E_RNA)
where:
Base-Base interactions energy: -1473.319
where: short stacking energy: -619.203
Base-Backbone interact. energy: -4.250
local terms energy: -690.599238
where:
bonds (distance) C4'-P energy: -161.918
bonds (distance) P-C4' energy: -131.713
flat angles C4'-P-C4' energy: -153.655
flat angles P-C4'-P energy: -77.612
tors. eta vs tors. theta energy: -165.701
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: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2111.440211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.440211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.871484 (E_RNA)
where:
Base-Base interactions energy: -1446.961
where: short stacking energy: -601.136
Base-Backbone interact. energy: -2.271
local terms energy: -678.640109
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -128.619
flat angles C4'-P-C4' energy: -151.214
flat angles P-C4'-P energy: -90.833
tors. eta vs tors. theta energy: -168.718
Dist. restrs. and SS energy: 16.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2181.518373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.518373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.182285 (E_RNA)
where:
Base-Base interactions energy: -1500.966
where: short stacking energy: -638.116
Base-Backbone interact. energy: -0.601
local terms energy: -692.615771
where:
bonds (distance) C4'-P energy: -148.344
bonds (distance) P-C4' energy: -135.659
flat angles C4'-P-C4' energy: -143.266
flat angles P-C4'-P energy: -89.218
tors. eta vs tors. theta energy: -176.129
Dist. restrs. and SS energy: 12.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1930.750957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.750957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.818284 (E_RNA)
where:
Base-Base interactions energy: -1340.581
where: short stacking energy: -594.523
Base-Backbone interact. energy: -1.171
local terms energy: -632.066146
where:
bonds (distance) C4'-P energy: -129.831
bonds (distance) P-C4' energy: -140.374
flat angles C4'-P-C4' energy: -123.856
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -153.792
Dist. restrs. and SS energy: 43.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1941.937559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.937559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.299002 (E_RNA)
where:
Base-Base interactions energy: -1332.745
where: short stacking energy: -570.911
Base-Backbone interact. energy: 2.559
local terms energy: -650.112948
where:
bonds (distance) C4'-P energy: -127.590
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -139.972
flat angles P-C4'-P energy: -98.698
tors. eta vs tors. theta energy: -168.012
Dist. restrs. and SS energy: 38.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1843.102245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.102245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.726020 (E_RNA)
where:
Base-Base interactions energy: -1287.457
where: short stacking energy: -520.469
Base-Backbone interact. energy: 3.329
local terms energy: -585.597497
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -104.621
flat angles C4'-P-C4' energy: -147.396
flat angles P-C4'-P energy: -68.037
tors. eta vs tors. theta energy: -134.941
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: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1748.320564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.320564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.966522 (E_RNA)
where:
Base-Base interactions energy: -1235.799
where: short stacking energy: -505.538
Base-Backbone interact. energy: 3.604
local terms energy: -547.772269
where:
bonds (distance) C4'-P energy: -96.063
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -128.138
flat angles P-C4'-P energy: -84.155
tors. eta vs tors. theta energy: -123.732
Dist. restrs. and SS energy: 31.646 (S_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: 12
Temperature: 1.350000
Total energy: -1565.317805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.317805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.051709 (E_RNA)
where:
Base-Base interactions energy: -1078.950
where: short stacking energy: -453.897
Base-Backbone interact. energy: -3.405
local terms energy: -530.697288
where:
bonds (distance) C4'-P energy: -108.510
bonds (distance) P-C4' energy: -115.686
flat angles C4'-P-C4' energy: -118.709
flat angles P-C4'-P energy: -75.917
tors. eta vs tors. theta energy: -111.876
Dist. restrs. and SS energy: 47.734 (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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -2382.689609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.689609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.240960 (E_RNA)
where:
Base-Base interactions energy: -1654.043
where: short stacking energy: -695.439
Base-Backbone interact. energy: -3.563
local terms energy: -743.634385
where:
bonds (distance) C4'-P energy: -146.280
bonds (distance) P-C4' energy: -152.133
flat angles C4'-P-C4' energy: -167.637
flat angles P-C4'-P energy: -102.203
tors. eta vs tors. theta energy: -175.381
Dist. restrs. and SS energy: 18.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2410.412346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.412346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.981959 (E_RNA)
where:
Base-Base interactions energy: -1672.238
where: short stacking energy: -703.097
Base-Backbone interact. energy: -3.242
local terms energy: -744.501389
where:
bonds (distance) C4'-P energy: -145.937
bonds (distance) P-C4' energy: -149.661
flat angles C4'-P-C4' energy: -147.977
flat angles P-C4'-P energy: -103.143
tors. eta vs tors. theta energy: -197.784
Dist. restrs. and SS energy: 9.570 (S_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: 13
Temperature: 1.000000
Total energy: -2162.892172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.892172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.657495 (E_RNA)
where:
Base-Base interactions energy: -1513.377
where: short stacking energy: -637.742
Base-Backbone interact. energy: -0.688
local terms energy: -665.593299
where:
bonds (distance) C4'-P energy: -122.244
bonds (distance) P-C4' energy: -145.777
flat angles C4'-P-C4' energy: -149.391
flat angles P-C4'-P energy: -82.158
tors. eta vs tors. theta energy: -166.023
Dist. restrs. and SS energy: 16.765 (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: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2203.401311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.401311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.582294 (E_RNA)
where:
Base-Base interactions energy: -1538.999
where: short stacking energy: -643.394
Base-Backbone interact. energy: -0.746
local terms energy: -673.837520
where:
bonds (distance) C4'-P energy: -110.477
bonds (distance) P-C4' energy: -136.774
flat angles C4'-P-C4' energy: -150.884
flat angles P-C4'-P energy: -101.789
tors. eta vs tors. theta energy: -173.915
Dist. restrs. and SS energy: 10.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2098.200744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.200744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.562329 (E_RNA)
where:
Base-Base interactions energy: -1476.722
where: short stacking energy: -617.897
Base-Backbone interact. energy: 1.770
local terms energy: -643.611021
where:
bonds (distance) C4'-P energy: -124.826
bonds (distance) P-C4' energy: -135.681
flat angles C4'-P-C4' energy: -125.807
flat angles P-C4'-P energy: -92.740
tors. eta vs tors. theta energy: -164.557
Dist. restrs. and SS energy: 20.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2009.965920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.965920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.197866 (E_RNA)
where:
Base-Base interactions energy: -1396.306
where: short stacking energy: -586.137
Base-Backbone interact. energy: -2.310
local terms energy: -641.581615
where:
bonds (distance) C4'-P energy: -125.330
bonds (distance) P-C4' energy: -136.184
flat angles C4'-P-C4' energy: -143.974
flat angles P-C4'-P energy: -73.781
tors. eta vs tors. theta energy: -162.312
Dist. restrs. and SS energy: 30.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1815.225343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.225343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.334741 (E_RNA)
where:
Base-Base interactions energy: -1278.332
where: short stacking energy: -532.498
Base-Backbone interact. energy: -1.660
local terms energy: -573.342890
where:
bonds (distance) C4'-P energy: -115.285
bonds (distance) P-C4' energy: -120.921
flat angles C4'-P-C4' energy: -137.456
flat angles P-C4'-P energy: -60.140
tors. eta vs tors. theta energy: -139.540
Dist. restrs. and SS energy: 38.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1891.350973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.350973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.203264 (E_RNA)
where:
Base-Base interactions energy: -1330.185
where: short stacking energy: -548.352
Base-Backbone interact. energy: -0.102
local terms energy: -584.916019
where:
bonds (distance) C4'-P energy: -96.678
bonds (distance) P-C4' energy: -114.311
flat angles C4'-P-C4' energy: -149.347
flat angles P-C4'-P energy: -85.509
tors. eta vs tors. theta energy: -139.071
Dist. restrs. and SS energy: 23.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1738.269622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.269622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.882570 (E_RNA)
where:
Base-Base interactions energy: -1234.439
where: short stacking energy: -518.195
Base-Backbone interact. energy: -0.758
local terms energy: -534.684625
where:
bonds (distance) C4'-P energy: -90.978
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -70.903
tors. eta vs tors. theta energy: -149.690
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1529.721457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.721457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.857808 (E_RNA)
where:
Base-Base interactions energy: -1069.846
where: short stacking energy: -442.756
Base-Backbone interact. energy: -2.330
local terms energy: -513.681601
where:
bonds (distance) C4'-P energy: -103.766
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -115.205
flat angles P-C4'-P energy: -67.537
tors. eta vs tors. theta energy: -123.732
Dist. restrs. and SS energy: 56.136 (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: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2347.286571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.286571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.747691 (E_RNA)
where:
Base-Base interactions energy: -1641.105
where: short stacking energy: -695.248
Base-Backbone interact. energy: -3.183
local terms energy: -721.458978
where:
bonds (distance) C4'-P energy: -144.064
bonds (distance) P-C4' energy: -146.044
flat angles C4'-P-C4' energy: -150.753
flat angles P-C4'-P energy: -104.475
tors. eta vs tors. theta energy: -176.123
Dist. restrs. and SS energy: 18.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2354.839327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.839327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.177232 (E_RNA)
where:
Base-Base interactions energy: -1639.639
where: short stacking energy: -696.819
Base-Backbone interact. energy: -1.648
local terms energy: -725.890463
where:
bonds (distance) C4'-P energy: -142.833
bonds (distance) P-C4' energy: -133.444
flat angles C4'-P-C4' energy: -160.318
flat angles P-C4'-P energy: -93.995
tors. eta vs tors. theta energy: -195.300
Dist. restrs. and SS energy: 12.338 (S_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: -2300.150856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.150856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.198104 (E_RNA)
where:
Base-Base interactions energy: -1628.930
where: short stacking energy: -694.068
Base-Backbone interact. energy: -1.297
local terms energy: -679.971090
where:
bonds (distance) C4'-P energy: -122.883
bonds (distance) P-C4' energy: -141.450
flat angles C4'-P-C4' energy: -143.835
flat angles P-C4'-P energy: -85.347
tors. eta vs tors. theta energy: -186.455
Dist. restrs. and SS energy: 10.047 (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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2110.356680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.356680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.907630 (E_RNA)
where:
Base-Base interactions energy: -1465.725
where: short stacking energy: -630.781
Base-Backbone interact. energy: -1.807
local terms energy: -661.375893
where:
bonds (distance) C4'-P energy: -127.480
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -152.930
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -159.867
Dist. restrs. and SS energy: 18.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2115.788442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.788442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.671386 (E_RNA)
where:
Base-Base interactions energy: -1453.255
where: short stacking energy: -621.472
Base-Backbone interact. energy: -2.224
local terms energy: -687.192523
where:
bonds (distance) C4'-P energy: -141.095
bonds (distance) P-C4' energy: -122.025
flat angles C4'-P-C4' energy: -146.397
flat angles P-C4'-P energy: -102.929
tors. eta vs tors. theta energy: -174.746
Dist. restrs. and SS energy: 26.883 (S_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: 14
Temperature: 1.150000
Total energy: -2051.809672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.809672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.153994 (E_RNA)
where:
Base-Base interactions energy: -1404.494
where: short stacking energy: -580.074
Base-Backbone interact. energy: 0.825
local terms energy: -663.484723
where:
bonds (distance) C4'-P energy: -121.056
bonds (distance) P-C4' energy: -140.193
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -106.414
tors. eta vs tors. theta energy: -156.954
Dist. restrs. and SS energy: 15.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1954.425431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.425431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.704441 (E_RNA)
where:
Base-Base interactions energy: -1371.388
where: short stacking energy: -572.842
Base-Backbone interact. energy: -3.362
local terms energy: -594.954294
where:
bonds (distance) C4'-P energy: -124.648
bonds (distance) P-C4' energy: -119.024
flat angles C4'-P-C4' energy: -121.591
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -150.342
Dist. restrs. and SS energy: 15.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1790.364294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.364294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.796818 (E_RNA)
where:
Base-Base interactions energy: -1215.650
where: short stacking energy: -497.862
Base-Backbone interact. energy: 5.645
local terms energy: -639.791957
where:
bonds (distance) C4'-P energy: -132.470
bonds (distance) P-C4' energy: -124.596
flat angles C4'-P-C4' energy: -138.086
flat angles P-C4'-P energy: -93.393
tors. eta vs tors. theta energy: -151.247
Dist. restrs. and SS energy: 59.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1789.262251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.262251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.328398 (E_RNA)
where:
Base-Base interactions energy: -1260.867
where: short stacking energy: -533.963
Base-Backbone interact. energy: -0.808
local terms energy: -563.652662
where:
bonds (distance) C4'-P energy: -123.551
bonds (distance) P-C4' energy: -122.940
flat angles C4'-P-C4' energy: -114.307
flat angles P-C4'-P energy: -60.589
tors. eta vs tors. theta energy: -142.265
Dist. restrs. and SS energy: 36.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1630.137669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.137669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.912685 (E_RNA)
where:
Base-Base interactions energy: -1171.396
where: short stacking energy: -466.088
Base-Backbone interact. energy: 3.321
local terms energy: -506.837364
where:
bonds (distance) C4'-P energy: -96.321
bonds (distance) P-C4' energy: -109.257
flat angles C4'-P-C4' energy: -109.079
flat angles P-C4'-P energy: -63.851
tors. eta vs tors. theta energy: -128.329
Dist. restrs. and SS energy: 44.775 (S_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: 15
Temperature: 0.900000
Total energy: -2370.970191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.970191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.445285 (E_RNA)
where:
Base-Base interactions energy: -1638.873
where: short stacking energy: -670.177
Base-Backbone interact. energy: -1.988
local terms energy: -746.584870
where:
bonds (distance) C4'-P energy: -137.072
bonds (distance) P-C4' energy: -169.418
flat angles C4'-P-C4' energy: -152.859
flat angles P-C4'-P energy: -111.281
tors. eta vs tors. theta energy: -175.956
Dist. restrs. and SS energy: 16.475 (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: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2454.353605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.353605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.329921 (E_RNA)
where:
Base-Base interactions energy: -1710.840
where: short stacking energy: -710.188
Base-Backbone interact. energy: -0.136
local terms energy: -750.353877
where:
bonds (distance) C4'-P energy: -137.640
bonds (distance) P-C4' energy: -147.273
flat angles C4'-P-C4' energy: -161.212
flat angles P-C4'-P energy: -103.871
tors. eta vs tors. theta energy: -200.358
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: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2291.386824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.386824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.912939 (E_RNA)
where:
Base-Base interactions energy: -1583.576
where: short stacking energy: -679.626
Base-Backbone interact. energy: -0.970
local terms energy: -725.367133
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -143.856
flat angles C4'-P-C4' energy: -152.290
flat angles P-C4'-P energy: -100.475
tors. eta vs tors. theta energy: -196.031
Dist. restrs. and SS energy: 18.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2109.106980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.106980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.127637 (E_RNA)
where:
Base-Base interactions energy: -1468.297
where: short stacking energy: -622.242
Base-Backbone interact. energy: 3.091
local terms energy: -663.922164
where:
bonds (distance) C4'-P energy: -136.990
bonds (distance) P-C4' energy: -138.041
flat angles C4'-P-C4' energy: -149.085
flat angles P-C4'-P energy: -82.499
tors. eta vs tors. theta energy: -157.306
Dist. restrs. and SS energy: 20.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2099.090552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.090552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.713057 (E_RNA)
where:
Base-Base interactions energy: -1455.619
where: short stacking energy: -622.280
Base-Backbone interact. energy: -2.918
local terms energy: -664.175472
where:
bonds (distance) C4'-P energy: -113.203
bonds (distance) P-C4' energy: -131.204
flat angles C4'-P-C4' energy: -150.608
flat angles P-C4'-P energy: -97.564
tors. eta vs tors. theta energy: -171.596
Dist. restrs. and SS energy: 23.623 (S_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: 15
Temperature: 1.150000
Total energy: -2048.298920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.298920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.359389 (E_RNA)
where:
Base-Base interactions energy: -1426.926
where: short stacking energy: -604.932
Base-Backbone interact. energy: -2.787
local terms energy: -634.646181
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -146.083
flat angles C4'-P-C4' energy: -126.725
flat angles P-C4'-P energy: -86.117
tors. eta vs tors. theta energy: -171.081
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: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1995.197048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.197048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.569194 (E_RNA)
where:
Base-Base interactions energy: -1394.049
where: short stacking energy: -579.159
Base-Backbone interact. energy: -1.272
local terms energy: -618.248256
where:
bonds (distance) C4'-P energy: -131.315
bonds (distance) P-C4' energy: -116.769
flat angles C4'-P-C4' energy: -133.095
flat angles P-C4'-P energy: -89.877
tors. eta vs tors. theta energy: -147.193
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: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1961.722156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.722156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.532250 (E_RNA)
where:
Base-Base interactions energy: -1377.280
where: short stacking energy: -544.651
Base-Backbone interact. energy: -3.692
local terms energy: -591.560856
where:
bonds (distance) C4'-P energy: -114.261
bonds (distance) P-C4' energy: -128.888
flat angles C4'-P-C4' energy: -113.834
flat angles P-C4'-P energy: -78.439
tors. eta vs tors. theta energy: -156.139
Dist. restrs. and SS energy: 10.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1729.798572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.705788 (E_RNA)
where:
Base-Base interactions energy: -1194.929
where: short stacking energy: -528.029
Base-Backbone interact. energy: -1.165
local terms energy: -582.611381
where:
bonds (distance) C4'-P energy: -106.218
bonds (distance) P-C4' energy: -131.496
flat angles C4'-P-C4' energy: -136.575
flat angles P-C4'-P energy: -67.927
tors. eta vs tors. theta energy: -140.395
Dist. restrs. and SS energy: 48.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1625.185904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.623814 (E_RNA)
where:
Base-Base interactions energy: -1154.922
where: short stacking energy: -466.052
Base-Backbone interact. energy: -1.554
local terms energy: -501.147811
where:
bonds (distance) C4'-P energy: -110.743
bonds (distance) P-C4' energy: -83.815
flat angles C4'-P-C4' energy: -126.661
flat angles P-C4'-P energy: -63.427
tors. eta vs tors. theta energy: -116.502
Dist. restrs. and SS energy: 32.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2502.214751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.214751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.167885 (E_RNA)
where:
Base-Base interactions energy: -1760.667
where: short stacking energy: -737.521
Base-Backbone interact. energy: -3.150
local terms energy: -746.351752
where:
bonds (distance) C4'-P energy: -134.635
bonds (distance) P-C4' energy: -149.049
flat angles C4'-P-C4' energy: -157.073
flat angles P-C4'-P energy: -108.005
tors. eta vs tors. theta energy: -197.590
Dist. restrs. and SS energy: 7.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2302.262830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.262830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.008178 (E_RNA)
where:
Base-Base interactions energy: -1625.691
where: short stacking energy: -692.508
Base-Backbone interact. energy: -2.329
local terms energy: -696.988373
where:
bonds (distance) C4'-P energy: -129.944
bonds (distance) P-C4' energy: -151.091
flat angles C4'-P-C4' energy: -161.484
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -169.801
Dist. restrs. and SS energy: 22.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2298.997216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.997216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.774154 (E_RNA)
where:
Base-Base interactions energy: -1572.341
where: short stacking energy: -676.747
Base-Backbone interact. energy: -2.287
local terms energy: -738.145587
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -143.941
flat angles C4'-P-C4' energy: -167.134
flat angles P-C4'-P energy: -96.616
tors. eta vs tors. theta energy: -204.770
Dist. restrs. and SS energy: 13.777 (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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2143.506813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.506813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.971555 (E_RNA)
where:
Base-Base interactions energy: -1502.624
where: short stacking energy: -638.261
Base-Backbone interact. energy: -1.136
local terms energy: -663.211916
where:
bonds (distance) C4'-P energy: -105.713
bonds (distance) P-C4' energy: -128.028
flat angles C4'-P-C4' energy: -158.006
flat angles P-C4'-P energy: -100.471
tors. eta vs tors. theta energy: -170.995
Dist. restrs. and SS energy: 23.465 (S_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: 16
Temperature: 1.100000
Total energy: -2152.368662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.368662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.148802 (E_RNA)
where:
Base-Base interactions energy: -1499.316
where: short stacking energy: -638.768
Base-Backbone interact. energy: -2.406
local terms energy: -668.426860
where:
bonds (distance) C4'-P energy: -130.812
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -155.703
flat angles P-C4'-P energy: -86.574
tors. eta vs tors. theta energy: -165.488
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: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -2010.372492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.372492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.537056 (E_RNA)
where:
Base-Base interactions energy: -1398.987
where: short stacking energy: -579.360
Base-Backbone interact. energy: -2.075
local terms energy: -634.474986
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -146.567
flat angles C4'-P-C4' energy: -137.568
flat angles P-C4'-P energy: -90.399
tors. eta vs tors. theta energy: -165.601
Dist. restrs. and SS energy: 25.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2041.618875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.618875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.940827 (E_RNA)
where:
Base-Base interactions energy: -1397.384
where: short stacking energy: -562.123
Base-Backbone interact. energy: -4.043
local terms energy: -656.514632
where:
bonds (distance) C4'-P energy: -124.572
bonds (distance) P-C4' energy: -133.092
flat angles C4'-P-C4' energy: -146.754
flat angles P-C4'-P energy: -92.747
tors. eta vs tors. theta energy: -159.349
Dist. restrs. and SS energy: 16.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1944.878240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.878240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.433365 (E_RNA)
where:
Base-Base interactions energy: -1365.947
where: short stacking energy: -565.282
Base-Backbone interact. energy: 1.198
local terms energy: -599.684010
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -128.213
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -66.666
tors. eta vs tors. theta energy: -157.809
Dist. restrs. and SS energy: 19.555 (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: 16
Temperature: 1.300000
Total energy: -1722.574605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.574605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.072546 (E_RNA)
where:
Base-Base interactions energy: -1203.910
where: short stacking energy: -511.382
Base-Backbone interact. energy: -2.177
local terms energy: -550.985540
where:
bonds (distance) C4'-P energy: -117.855
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -112.392
flat angles P-C4'-P energy: -80.534
tors. eta vs tors. theta energy: -126.028
Dist. restrs. and SS energy: 34.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1701.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.655093 (E_RNA)
where:
Base-Base interactions energy: -1192.767
where: short stacking energy: -493.456
Base-Backbone interact. energy: -1.496
local terms energy: -540.392095
where:
bonds (distance) C4'-P energy: -106.220
bonds (distance) P-C4' energy: -100.645
flat angles C4'-P-C4' energy: -111.721
flat angles P-C4'-P energy: -80.053
tors. eta vs tors. theta energy: -141.753
Dist. restrs. and SS energy: 33.101 (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: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2533.436734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.638433 (E_RNA)
where:
Base-Base interactions energy: -1762.162
where: short stacking energy: -719.890
Base-Backbone interact. energy: -1.726
local terms energy: -776.749998
where:
bonds (distance) C4'-P energy: -154.702
bonds (distance) P-C4' energy: -146.261
flat angles C4'-P-C4' energy: -164.383
flat angles P-C4'-P energy: -106.269
tors. eta vs tors. theta energy: -205.135
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: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2377.012714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.012714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.748420 (E_RNA)
where:
Base-Base interactions energy: -1663.953
where: short stacking energy: -709.491
Base-Backbone interact. energy: -2.446
local terms energy: -721.349899
where:
bonds (distance) C4'-P energy: -134.343
bonds (distance) P-C4' energy: -137.312
flat angles C4'-P-C4' energy: -159.499
flat angles P-C4'-P energy: -101.060
tors. eta vs tors. theta energy: -189.136
Dist. restrs. and SS energy: 10.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2241.915678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.915678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.759468 (E_RNA)
where:
Base-Base interactions energy: -1555.322
where: short stacking energy: -628.449
Base-Backbone interact. energy: -1.569
local terms energy: -707.868307
where:
bonds (distance) C4'-P energy: -142.809
bonds (distance) P-C4' energy: -136.146
flat angles C4'-P-C4' energy: -165.705
flat angles P-C4'-P energy: -96.770
tors. eta vs tors. theta energy: -166.438
Dist. restrs. and SS energy: 22.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2217.548430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.548430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.874459 (E_RNA)
where:
Base-Base interactions energy: -1556.581
where: short stacking energy: -635.987
Base-Backbone interact. energy: -4.822
local terms energy: -671.470638
where:
bonds (distance) C4'-P energy: -136.860
bonds (distance) P-C4' energy: -128.680
flat angles C4'-P-C4' energy: -144.800
flat angles P-C4'-P energy: -91.386
tors. eta vs tors. theta energy: -169.745
Dist. restrs. and SS energy: 15.326 (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: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2114.756058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.756058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.694597 (E_RNA)
where:
Base-Base interactions energy: -1476.918
where: short stacking energy: -607.004
Base-Backbone interact. energy: -1.147
local terms energy: -656.630070
where:
bonds (distance) C4'-P energy: -125.895
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -143.641
flat angles P-C4'-P energy: -86.140
tors. eta vs tors. theta energy: -172.242
Dist. restrs. and SS energy: 19.939 (S_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: 17
Temperature: 1.150000
Total energy: -2165.183942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.183942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.454960 (E_RNA)
where:
Base-Base interactions energy: -1513.277
where: short stacking energy: -623.403
Base-Backbone interact. energy: -0.277
local terms energy: -662.900611
where:
bonds (distance) C4'-P energy: -138.364
bonds (distance) P-C4' energy: -107.076
flat angles C4'-P-C4' energy: -153.152
flat angles P-C4'-P energy: -85.519
tors. eta vs tors. theta energy: -178.789
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1940.484013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.484013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.346295 (E_RNA)
where:
Base-Base interactions energy: -1353.896
where: short stacking energy: -566.718
Base-Backbone interact. energy: -1.857
local terms energy: -605.593739
where:
bonds (distance) C4'-P energy: -127.670
bonds (distance) P-C4' energy: -116.682
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -172.976
Dist. restrs. and SS energy: 20.862 (S_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: 17
Temperature: 1.250000
Total energy: -1993.449069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.449069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.984851 (E_RNA)
where:
Base-Base interactions energy: -1396.728
where: short stacking energy: -570.612
Base-Backbone interact. energy: -1.811
local terms energy: -617.446629
where:
bonds (distance) C4'-P energy: -112.071
bonds (distance) P-C4' energy: -110.365
flat angles C4'-P-C4' energy: -141.324
flat angles P-C4'-P energy: -82.078
tors. eta vs tors. theta energy: -171.609
Dist. restrs. and SS energy: 22.536 (S_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: 17
Temperature: 1.300000
Total energy: -1729.891765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.891765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.721136 (E_RNA)
where:
Base-Base interactions energy: -1206.854
where: short stacking energy: -490.576
Base-Backbone interact. energy: -1.998
local terms energy: -561.868896
where:
bonds (distance) C4'-P energy: -105.674
bonds (distance) P-C4' energy: -119.183
flat angles C4'-P-C4' energy: -121.756
flat angles P-C4'-P energy: -88.914
tors. eta vs tors. theta energy: -126.343
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: 10, replica: 3
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1701.614633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.614633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.062061 (E_RNA)
where:
Base-Base interactions energy: -1150.042
where: short stacking energy: -474.075
Base-Backbone interact. energy: -3.471
local terms energy: -571.549687
where:
bonds (distance) C4'-P energy: -106.092
bonds (distance) P-C4' energy: -118.188
flat angles C4'-P-C4' energy: -129.644
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -138.350
Dist. restrs. and SS energy: 23.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2516.438616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.438616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.629234 (E_RNA)
where:
Base-Base interactions energy: -1768.026
where: short stacking energy: -727.084
Base-Backbone interact. energy: -4.096
local terms energy: -749.507266
where:
bonds (distance) C4'-P energy: -137.719
bonds (distance) P-C4' energy: -142.818
flat angles C4'-P-C4' energy: -167.241
flat angles P-C4'-P energy: -103.365
tors. eta vs tors. theta energy: -198.365
Dist. restrs. and SS energy: 5.191 (S_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: 18
Temperature: 0.950000
Total energy: -2406.701414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.701414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.888593 (E_RNA)
where:
Base-Base interactions energy: -1682.860
where: short stacking energy: -733.542
Base-Backbone interact. energy: -0.743
local terms energy: -739.286168
where:
bonds (distance) C4'-P energy: -129.589
bonds (distance) P-C4' energy: -158.434
flat angles C4'-P-C4' energy: -146.602
flat angles P-C4'-P energy: -91.644
tors. eta vs tors. theta energy: -213.016
Dist. restrs. and SS energy: 16.187 (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: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2264.576520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.453871 (E_RNA)
where:
Base-Base interactions energy: -1572.477
where: short stacking energy: -676.210
Base-Backbone interact. energy: -0.520
local terms energy: -718.457214
where:
bonds (distance) C4'-P energy: -141.417
bonds (distance) P-C4' energy: -150.881
flat angles C4'-P-C4' energy: -156.334
flat angles P-C4'-P energy: -95.442
tors. eta vs tors. theta energy: -174.383
Dist. restrs. and SS energy: 26.877 (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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2180.331124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.331124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.392286 (E_RNA)
where:
Base-Base interactions energy: -1523.267
where: short stacking energy: -621.862
Base-Backbone interact. energy: -2.004
local terms energy: -669.121168
where:
bonds (distance) C4'-P energy: -131.663
bonds (distance) P-C4' energy: -130.926
flat angles C4'-P-C4' energy: -151.698
flat angles P-C4'-P energy: -94.165
tors. eta vs tors. theta energy: -160.669
Dist. restrs. and SS energy: 14.061 (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: 18
Temperature: 1.100000
Total energy: -2239.445536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.445536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.462383 (E_RNA)
where:
Base-Base interactions energy: -1547.370
where: short stacking energy: -663.033
Base-Backbone interact. energy: -2.660
local terms energy: -703.433125
where:
bonds (distance) C4'-P energy: -127.353
bonds (distance) P-C4' energy: -127.588
flat angles C4'-P-C4' energy: -152.762
flat angles P-C4'-P energy: -96.272
tors. eta vs tors. theta energy: -199.458
Dist. restrs. and SS energy: 14.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -2058.914413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.914413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.727412 (E_RNA)
where:
Base-Base interactions energy: -1403.290
where: short stacking energy: -584.643
Base-Backbone interact. energy: -0.253
local terms energy: -669.183910
where:
bonds (distance) C4'-P energy: -123.100
bonds (distance) P-C4' energy: -142.328
flat angles C4'-P-C4' energy: -137.522
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -177.481
Dist. restrs. and SS energy: 13.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1969.521212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.521212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.418962 (E_RNA)
where:
Base-Base interactions energy: -1378.115
where: short stacking energy: -583.268
Base-Backbone interact. energy: 1.397
local terms energy: -619.701069
where:
bonds (distance) C4'-P energy: -109.964
bonds (distance) P-C4' energy: -130.611
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -78.760
tors. eta vs tors. theta energy: -168.441
Dist. restrs. and SS energy: 26.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1983.202673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.202673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.213362 (E_RNA)
where:
Base-Base interactions energy: -1384.214
where: short stacking energy: -586.455
Base-Backbone interact. energy: -3.040
local terms energy: -616.960180
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -121.399
flat angles C4'-P-C4' energy: -137.180
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -161.490
Dist. restrs. and SS energy: 21.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1821.350385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.350385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.642849 (E_RNA)
where:
Base-Base interactions energy: -1284.997
where: short stacking energy: -535.941
Base-Backbone interact. energy: -1.603
local terms energy: -564.043198
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -113.016
flat angles C4'-P-C4' energy: -119.770
flat angles P-C4'-P energy: -86.114
tors. eta vs tors. theta energy: -132.428
Dist. restrs. and SS energy: 29.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1704.150782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.150782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.841564 (E_RNA)
where:
Base-Base interactions energy: -1239.192
where: short stacking energy: -513.613
Base-Backbone interact. energy: 1.291
local terms energy: -501.940688
where:
bonds (distance) C4'-P energy: -103.964
bonds (distance) P-C4' energy: -119.554
flat angles C4'-P-C4' energy: -110.150
flat angles P-C4'-P energy: -58.223
tors. eta vs tors. theta energy: -110.050
Dist. restrs. and SS energy: 35.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2488.868366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.868366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.409768 (E_RNA)
where:
Base-Base interactions energy: -1745.607
where: short stacking energy: -721.357
Base-Backbone interact. energy: -3.570
local terms energy: -751.232048
where:
bonds (distance) C4'-P energy: -134.727
bonds (distance) P-C4' energy: -147.387
flat angles C4'-P-C4' energy: -157.743
flat angles P-C4'-P energy: -117.123
tors. eta vs tors. theta energy: -194.251
Dist. restrs. and SS energy: 11.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2363.345819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.345819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.237083 (E_RNA)
where:
Base-Base interactions energy: -1637.899
where: short stacking energy: -680.733
Base-Backbone interact. energy: -4.002
local terms energy: -735.336707
where:
bonds (distance) C4'-P energy: -135.701
bonds (distance) P-C4' energy: -155.951
flat angles C4'-P-C4' energy: -147.087
flat angles P-C4'-P energy: -111.026
tors. eta vs tors. theta energy: -185.571
Dist. restrs. and SS energy: 13.891 (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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2265.004289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.004289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.957041 (E_RNA)
where:
Base-Base interactions energy: -1541.694
where: short stacking energy: -674.152
Base-Backbone interact. energy: -1.536
local terms energy: -735.727147
where:
bonds (distance) C4'-P energy: -149.503
bonds (distance) P-C4' energy: -142.424
flat angles C4'-P-C4' energy: -160.709
flat angles P-C4'-P energy: -100.765
tors. eta vs tors. theta energy: -182.326
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: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2297.908101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.908101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.078032 (E_RNA)
where:
Base-Base interactions energy: -1600.015
where: short stacking energy: -661.533
Base-Backbone interact. energy: -1.839
local terms energy: -713.224114
where:
bonds (distance) C4'-P energy: -137.354
bonds (distance) P-C4' energy: -138.073
flat angles C4'-P-C4' energy: -139.423
flat angles P-C4'-P energy: -106.316
tors. eta vs tors. theta energy: -192.058
Dist. restrs. and SS energy: 17.170 (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: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2131.111422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.111422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.369447 (E_RNA)
where:
Base-Base interactions energy: -1486.265
where: short stacking energy: -632.831
Base-Backbone interact. energy: -2.113
local terms energy: -663.990736
where:
bonds (distance) C4'-P energy: -108.201
bonds (distance) P-C4' energy: -136.222
flat angles C4'-P-C4' energy: -146.944
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -169.107
Dist. restrs. and SS energy: 21.258 (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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2014.048152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.048152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.954210 (E_RNA)
where:
Base-Base interactions energy: -1414.517
where: short stacking energy: -595.824
Base-Backbone interact. energy: -2.901
local terms energy: -620.535771
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -108.312
flat angles C4'-P-C4' energy: -149.715
flat angles P-C4'-P energy: -92.669
tors. eta vs tors. theta energy: -157.950
Dist. restrs. and SS energy: 23.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -2034.041139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.041139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.701036 (E_RNA)
where:
Base-Base interactions energy: -1408.747
where: short stacking energy: -581.057
Base-Backbone interact. energy: -1.642
local terms energy: -648.312436
where:
bonds (distance) C4'-P energy: -127.126
bonds (distance) P-C4' energy: -133.989
flat angles C4'-P-C4' energy: -134.223
flat angles P-C4'-P energy: -98.308
tors. eta vs tors. theta energy: -154.666
Dist. restrs. and SS energy: 24.660 (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: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1900.228343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.228343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.401202 (E_RNA)
where:
Base-Base interactions energy: -1341.396
where: short stacking energy: -543.236
Base-Backbone interact. energy: 1.871
local terms energy: -585.876253
where:
bonds (distance) C4'-P energy: -131.952
bonds (distance) P-C4' energy: -111.698
flat angles C4'-P-C4' energy: -119.365
flat angles P-C4'-P energy: -75.878
tors. eta vs tors. theta energy: -146.983
Dist. restrs. and SS energy: 25.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1808.249884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.249884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.166043 (E_RNA)
where:
Base-Base interactions energy: -1263.194
where: short stacking energy: -508.871
Base-Backbone interact. energy: -1.304
local terms energy: -571.667765
where:
bonds (distance) C4'-P energy: -130.617
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -104.775
flat angles P-C4'-P energy: -77.625
tors. eta vs tors. theta energy: -132.511
Dist. restrs. and SS energy: 27.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1721.318281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.318281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.329293 (E_RNA)
where:
Base-Base interactions energy: -1178.524
where: short stacking energy: -489.361
Base-Backbone interact. energy: -1.541
local terms energy: -569.264011
where:
bonds (distance) C4'-P energy: -127.544
bonds (distance) P-C4' energy: -116.990
flat angles C4'-P-C4' energy: -121.789
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: -133.750
Dist. restrs. and SS energy: 28.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2542.147990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.147990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.022831 (E_RNA)
where:
Base-Base interactions energy: -1767.219
where: short stacking energy: -720.431
Base-Backbone interact. energy: -3.475
local terms energy: -779.329140
where:
bonds (distance) C4'-P energy: -150.824
bonds (distance) P-C4' energy: -155.426
flat angles C4'-P-C4' energy: -154.546
flat angles P-C4'-P energy: -117.355
tors. eta vs tors. theta energy: -201.179
Dist. restrs. and SS energy: 7.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2389.696278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.696278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.182677 (E_RNA)
where:
Base-Base interactions energy: -1648.586
where: short stacking energy: -707.075
Base-Backbone interact. energy: -6.420
local terms energy: -745.176929
where:
bonds (distance) C4'-P energy: -140.693
bonds (distance) P-C4' energy: -148.706
flat angles C4'-P-C4' energy: -143.676
flat angles P-C4'-P energy: -118.069
tors. eta vs tors. theta energy: -194.034
Dist. restrs. and SS energy: 10.486 (S_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: 20
Temperature: 1.000000
Total energy: -2374.048647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.048647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.404338 (E_RNA)
where:
Base-Base interactions energy: -1651.367
where: short stacking energy: -698.149
Base-Backbone interact. energy: -0.402
local terms energy: -732.635188
where:
bonds (distance) C4'-P energy: -129.066
bonds (distance) P-C4' energy: -138.103
flat angles C4'-P-C4' energy: -159.603
flat angles P-C4'-P energy: -103.631
tors. eta vs tors. theta energy: -202.232
Dist. restrs. and SS energy: 10.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2214.223567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.223567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.207713 (E_RNA)
where:
Base-Base interactions energy: -1537.376
where: short stacking energy: -642.691
Base-Backbone interact. energy: 2.700
local terms energy: -696.531022
where:
bonds (distance) C4'-P energy: -141.532
bonds (distance) P-C4' energy: -138.531
flat angles C4'-P-C4' energy: -155.135
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -172.511
Dist. restrs. and SS energy: 16.984 (S_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: 20
Temperature: 1.100000
Total energy: -2121.148962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.148962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.051628 (E_RNA)
where:
Base-Base interactions energy: -1484.035
where: short stacking energy: -618.126
Base-Backbone interact. energy: -2.273
local terms energy: -649.743556
where:
bonds (distance) C4'-P energy: -125.242
bonds (distance) P-C4' energy: -145.332
flat angles C4'-P-C4' energy: -137.963
flat angles P-C4'-P energy: -79.851
tors. eta vs tors. theta energy: -161.356
Dist. restrs. and SS energy: 14.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2029.164308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.164308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.918793 (E_RNA)
where:
Base-Base interactions energy: -1410.947
where: short stacking energy: -587.874
Base-Backbone interact. energy: 0.566
local terms energy: -640.537201
where:
bonds (distance) C4'-P energy: -142.165
bonds (distance) P-C4' energy: -125.676
flat angles C4'-P-C4' energy: -131.506
flat angles P-C4'-P energy: -90.314
tors. eta vs tors. theta energy: -150.876
Dist. restrs. and SS energy: 21.754 (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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1958.076968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.076968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.398346 (E_RNA)
where:
Base-Base interactions energy: -1363.909
where: short stacking energy: -577.938
Base-Backbone interact. energy: 0.788
local terms energy: -617.277311
where:
bonds (distance) C4'-P energy: -105.279
bonds (distance) P-C4' energy: -125.239
flat angles C4'-P-C4' energy: -136.269
flat angles P-C4'-P energy: -93.014
tors. eta vs tors. theta energy: -157.476
Dist. restrs. and SS energy: 22.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1961.244089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.121849 (E_RNA)
where:
Base-Base interactions energy: -1355.741
where: short stacking energy: -559.885
Base-Backbone interact. energy: -2.282
local terms energy: -627.098677
where:
bonds (distance) C4'-P energy: -119.939
bonds (distance) P-C4' energy: -120.383
flat angles C4'-P-C4' energy: -140.711
flat angles P-C4'-P energy: -94.769
tors. eta vs tors. theta energy: -151.297
Dist. restrs. and SS energy: 23.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1836.549182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.549182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.554814 (E_RNA)
where:
Base-Base interactions energy: -1284.985
where: short stacking energy: -521.034
Base-Backbone interact. energy: 1.938
local terms energy: -574.508373
where:
bonds (distance) C4'-P energy: -127.507
bonds (distance) P-C4' energy: -122.798
flat angles C4'-P-C4' energy: -121.231
flat angles P-C4'-P energy: -54.176
tors. eta vs tors. theta energy: -148.796
Dist. restrs. and SS energy: 21.006 (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: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1726.150978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.150978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.595730 (E_RNA)
where:
Base-Base interactions energy: -1197.884
where: short stacking energy: -494.934
Base-Backbone interact. energy: -3.028
local terms energy: -544.683502
where:
bonds (distance) C4'-P energy: -91.786
bonds (distance) P-C4' energy: -125.690
flat angles C4'-P-C4' energy: -117.026
flat angles P-C4'-P energy: -58.988
tors. eta vs tors. theta energy: -151.193
Dist. restrs. and SS energy: 19.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2515.074979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.074979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.884866 (E_RNA)
where:
Base-Base interactions energy: -1753.284
where: short stacking energy: -731.782
Base-Backbone interact. energy: -3.258
local terms energy: -768.343126
where:
bonds (distance) C4'-P energy: -146.606
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -166.924
flat angles P-C4'-P energy: -104.158
tors. eta vs tors. theta energy: -205.152
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: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2420.288473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.288473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.995434 (E_RNA)
where:
Base-Base interactions energy: -1657.218
where: short stacking energy: -695.648
Base-Backbone interact. energy: -3.578
local terms energy: -770.199144
where:
bonds (distance) C4'-P energy: -154.707
bonds (distance) P-C4' energy: -147.698
flat angles C4'-P-C4' energy: -156.575
flat angles P-C4'-P energy: -111.559
tors. eta vs tors. theta energy: -199.660
Dist. restrs. and SS energy: 10.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2430.844540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.844540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.074789 (E_RNA)
where:
Base-Base interactions energy: -1694.800
where: short stacking energy: -696.317
Base-Backbone interact. energy: -2.796
local terms energy: -738.478842
where:
bonds (distance) C4'-P energy: -141.867
bonds (distance) P-C4' energy: -152.581
flat angles C4'-P-C4' energy: -156.589
flat angles P-C4'-P energy: -79.514
tors. eta vs tors. theta energy: -207.928
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2165.911670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.911670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.860601 (E_RNA)
where:
Base-Base interactions energy: -1511.293
where: short stacking energy: -615.930
Base-Backbone interact. energy: -2.433
local terms energy: -675.133784
where:
bonds (distance) C4'-P energy: -138.932
bonds (distance) P-C4' energy: -141.737
flat angles C4'-P-C4' energy: -140.623
flat angles P-C4'-P energy: -87.376
tors. eta vs tors. theta energy: -166.466
Dist. restrs. and SS energy: 22.949 (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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2165.197723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.197723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.502115 (E_RNA)
where:
Base-Base interactions energy: -1545.278
where: short stacking energy: -646.200
Base-Backbone interact. energy: -1.360
local terms energy: -635.864033
where:
bonds (distance) C4'-P energy: -125.649
bonds (distance) P-C4' energy: -124.053
flat angles C4'-P-C4' energy: -121.845
flat angles P-C4'-P energy: -83.999
tors. eta vs tors. theta energy: -180.317
Dist. restrs. and SS energy: 17.304 (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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2103.552332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.552332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.865502 (E_RNA)
where:
Base-Base interactions energy: -1460.552
where: short stacking energy: -595.958
Base-Backbone interact. energy: -0.861
local terms energy: -665.452604
where:
bonds (distance) C4'-P energy: -118.222
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -153.860
flat angles P-C4'-P energy: -102.898
tors. eta vs tors. theta energy: -155.584
Dist. restrs. and SS energy: 23.313 (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: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1996.520793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.520793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.226344 (E_RNA)
where:
Base-Base interactions energy: -1351.089
where: short stacking energy: -588.888
Base-Backbone interact. energy: -4.366
local terms energy: -665.771204
where:
bonds (distance) C4'-P energy: -125.569
bonds (distance) P-C4' energy: -147.962
flat angles C4'-P-C4' energy: -134.345
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -170.950
Dist. restrs. and SS energy: 24.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1918.065933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.065933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.723622 (E_RNA)
where:
Base-Base interactions energy: -1317.259
where: short stacking energy: -560.821
Base-Backbone interact. energy: -0.166
local terms energy: -632.298110
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -131.547
flat angles C4'-P-C4' energy: -148.095
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: -154.578
Dist. restrs. and SS energy: 31.658 (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: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1843.904396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.904396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.462611 (E_RNA)
where:
Base-Base interactions energy: -1287.630
where: short stacking energy: -545.767
Base-Backbone interact. energy: -1.357
local terms energy: -591.475892
where:
bonds (distance) C4'-P energy: -118.077
bonds (distance) P-C4' energy: -117.796
flat angles C4'-P-C4' energy: -136.337
flat angles P-C4'-P energy: -75.513
tors. eta vs tors. theta energy: -143.752
Dist. restrs. and SS energy: 36.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1856.373064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.373064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.227164 (E_RNA)
where:
Base-Base interactions energy: -1292.684
where: short stacking energy: -543.315
Base-Backbone interact. energy: -2.951
local terms energy: -588.592881
where:
bonds (distance) C4'-P energy: -117.003
bonds (distance) P-C4' energy: -117.023
flat angles C4'-P-C4' energy: -132.560
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -158.739
Dist. restrs. and SS energy: 27.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2556.125386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.125386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.909051 (E_RNA)
where:
Base-Base interactions energy: -1788.804
where: short stacking energy: -765.895
Base-Backbone interact. energy: -2.657
local terms energy: -771.448844
where:
bonds (distance) C4'-P energy: -137.588
bonds (distance) P-C4' energy: -156.163
flat angles C4'-P-C4' energy: -163.691
flat angles P-C4'-P energy: -107.113
tors. eta vs tors. theta energy: -206.894
Dist. restrs. and SS energy: 6.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2404.836358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.836358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.855864 (E_RNA)
where:
Base-Base interactions energy: -1669.331
where: short stacking energy: -696.004
Base-Backbone interact. energy: -3.823
local terms energy: -739.701726
where:
bonds (distance) C4'-P energy: -142.134
bonds (distance) P-C4' energy: -146.583
flat angles C4'-P-C4' energy: -143.469
flat angles P-C4'-P energy: -99.436
tors. eta vs tors. theta energy: -208.080
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: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2393.804326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.804326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.304502 (E_RNA)
where:
Base-Base interactions energy: -1646.739
where: short stacking energy: -704.615
Base-Backbone interact. energy: -1.986
local terms energy: -755.579593
where:
bonds (distance) C4'-P energy: -130.441
bonds (distance) P-C4' energy: -142.307
flat angles C4'-P-C4' energy: -157.969
flat angles P-C4'-P energy: -111.097
tors. eta vs tors. theta energy: -213.765
Dist. restrs. and SS energy: 10.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2129.332571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.332571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.628266 (E_RNA)
where:
Base-Base interactions energy: -1486.193
where: short stacking energy: -638.608
Base-Backbone interact. energy: -2.307
local terms energy: -662.127315
where:
bonds (distance) C4'-P energy: -119.635
bonds (distance) P-C4' energy: -144.311
flat angles C4'-P-C4' energy: -143.018
flat angles P-C4'-P energy: -95.590
tors. eta vs tors. theta energy: -159.573
Dist. restrs. and SS energy: 21.296 (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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2176.810931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.810931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.272688 (E_RNA)
where:
Base-Base interactions energy: -1521.633
where: short stacking energy: -663.796
Base-Backbone interact. energy: -1.419
local terms energy: -669.220948
where:
bonds (distance) C4'-P energy: -133.482
bonds (distance) P-C4' energy: -130.206
flat angles C4'-P-C4' energy: -146.748
flat angles P-C4'-P energy: -83.441
tors. eta vs tors. theta energy: -175.344
Dist. restrs. and SS energy: 15.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2121.574592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.574592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.423062 (E_RNA)
where:
Base-Base interactions energy: -1485.066
where: short stacking energy: -604.594
Base-Backbone interact. energy: -2.607
local terms energy: -650.750050
where:
bonds (distance) C4'-P energy: -117.683
bonds (distance) P-C4' energy: -132.774
flat angles C4'-P-C4' energy: -146.051
flat angles P-C4'-P energy: -84.877
tors. eta vs tors. theta energy: -169.365
Dist. restrs. and SS energy: 16.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1969.447421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.447421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.050617 (E_RNA)
where:
Base-Base interactions energy: -1347.550
where: short stacking energy: -566.157
Base-Backbone interact. energy: -1.631
local terms energy: -648.870232
where:
bonds (distance) C4'-P energy: -146.046
bonds (distance) P-C4' energy: -112.523
flat angles C4'-P-C4' energy: -140.780
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -161.145
Dist. restrs. and SS energy: 28.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1888.210103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.210103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.398537 (E_RNA)
where:
Base-Base interactions energy: -1324.071
where: short stacking energy: -543.253
Base-Backbone interact. energy: -3.538
local terms energy: -581.789530
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -124.140
flat angles C4'-P-C4' energy: -119.661
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -144.136
Dist. restrs. and SS energy: 21.188 (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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1864.604008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.604008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.653601 (E_RNA)
where:
Base-Base interactions energy: -1344.591
where: short stacking energy: -545.698
Base-Backbone interact. energy: 3.316
local terms energy: -542.377774
where:
bonds (distance) C4'-P energy: -113.549
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -114.146
flat angles P-C4'-P energy: -62.598
tors. eta vs tors. theta energy: -134.990
Dist. restrs. and SS energy: 19.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1766.611454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.611454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.944332 (E_RNA)
where:
Base-Base interactions energy: -1220.441
where: short stacking energy: -495.313
Base-Backbone interact. energy: -3.141
local terms energy: -573.362015
where:
bonds (distance) C4'-P energy: -120.096
bonds (distance) P-C4' energy: -128.956
flat angles C4'-P-C4' energy: -114.847
flat angles P-C4'-P energy: -67.809
tors. eta vs tors. theta energy: -141.653
Dist. restrs. and SS energy: 30.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2547.081102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.081102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.856728 (E_RNA)
where:
Base-Base interactions energy: -1763.681
where: short stacking energy: -733.358
Base-Backbone interact. energy: -2.598
local terms energy: -785.577389
where:
bonds (distance) C4'-P energy: -149.190
bonds (distance) P-C4' energy: -156.784
flat angles C4'-P-C4' energy: -160.421
flat angles P-C4'-P energy: -117.132
tors. eta vs tors. theta energy: -202.051
Dist. restrs. and SS energy: 4.776 (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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2471.640832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.640832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.075775 (E_RNA)
where:
Base-Base interactions energy: -1696.240
where: short stacking energy: -715.277
Base-Backbone interact. energy: -1.755
local terms energy: -784.080219
where:
bonds (distance) C4'-P energy: -142.810
bonds (distance) P-C4' energy: -150.941
flat angles C4'-P-C4' energy: -152.449
flat angles P-C4'-P energy: -116.832
tors. eta vs tors. theta energy: -221.048
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: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2359.002011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.002011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.510145 (E_RNA)
where:
Base-Base interactions energy: -1642.625
where: short stacking energy: -672.411
Base-Backbone interact. energy: -0.752
local terms energy: -727.133094
where:
bonds (distance) C4'-P energy: -134.720
bonds (distance) P-C4' energy: -136.398
flat angles C4'-P-C4' energy: -148.835
flat angles P-C4'-P energy: -107.154
tors. eta vs tors. theta energy: -200.026
Dist. restrs. and SS energy: 11.508 (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: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2226.872431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.872431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.648742 (E_RNA)
where:
Base-Base interactions energy: -1555.515
where: short stacking energy: -666.573
Base-Backbone interact. energy: -3.424
local terms energy: -685.710332
where:
bonds (distance) C4'-P energy: -127.114
bonds (distance) P-C4' energy: -143.522
flat angles C4'-P-C4' energy: -154.375
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -180.665
Dist. restrs. and SS energy: 17.776 (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: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2147.813883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.813883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.856583 (E_RNA)
where:
Base-Base interactions energy: -1494.557
where: short stacking energy: -650.921
Base-Backbone interact. energy: -3.035
local terms energy: -673.264053
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -84.833
tors. eta vs tors. theta energy: -180.040
Dist. restrs. and SS energy: 23.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2065.942753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.942753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.033174 (E_RNA)
where:
Base-Base interactions energy: -1444.168
where: short stacking energy: -611.692
Base-Backbone interact. energy: -1.796
local terms energy: -644.068808
where:
bonds (distance) C4'-P energy: -133.513
bonds (distance) P-C4' energy: -131.400
flat angles C4'-P-C4' energy: -135.123
flat angles P-C4'-P energy: -78.457
tors. eta vs tors. theta energy: -165.575
Dist. restrs. and SS energy: 24.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1986.799029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.799029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.082929 (E_RNA)
where:
Base-Base interactions energy: -1381.160
where: short stacking energy: -586.537
Base-Backbone interact. energy: -1.646
local terms energy: -635.276933
where:
bonds (distance) C4'-P energy: -131.150
bonds (distance) P-C4' energy: -117.243
flat angles C4'-P-C4' energy: -135.584
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -155.600
Dist. restrs. and SS energy: 31.284 (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: 23
Temperature: 1.250000
Total energy: -1891.623238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.623238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.890448 (E_RNA)
where:
Base-Base interactions energy: -1311.413
where: short stacking energy: -568.524
Base-Backbone interact. energy: -1.117
local terms energy: -604.359879
where:
bonds (distance) C4'-P energy: -114.801
bonds (distance) P-C4' energy: -123.366
flat angles C4'-P-C4' energy: -129.285
flat angles P-C4'-P energy: -83.186
tors. eta vs tors. theta energy: -153.722
Dist. restrs. and SS energy: 25.267 (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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1888.462419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.462419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.140987 (E_RNA)
where:
Base-Base interactions energy: -1332.736
where: short stacking energy: -563.153
Base-Backbone interact. energy: -0.553
local terms energy: -589.852304
where:
bonds (distance) C4'-P energy: -108.040
bonds (distance) P-C4' energy: -131.094
flat angles C4'-P-C4' energy: -132.448
flat angles P-C4'-P energy: -66.051
tors. eta vs tors. theta energy: -152.220
Dist. restrs. and SS energy: 34.679 (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: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1778.362393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.362393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.679944 (E_RNA)
where:
Base-Base interactions energy: -1282.334
where: short stacking energy: -519.239
Base-Backbone interact. energy: -1.876
local terms energy: -513.469978
where:
bonds (distance) C4'-P energy: -99.950
bonds (distance) P-C4' energy: -99.757
flat angles C4'-P-C4' energy: -121.236
flat angles P-C4'-P energy: -63.515
tors. eta vs tors. theta energy: -129.012
Dist. restrs. and SS energy: 19.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2544.268690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.268690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.390570 (E_RNA)
where:
Base-Base interactions energy: -1801.889
where: short stacking energy: -753.916
Base-Backbone interact. energy: -4.030
local terms energy: -752.472058
where:
bonds (distance) C4'-P energy: -134.932
bonds (distance) P-C4' energy: -136.555
flat angles C4'-P-C4' energy: -169.139
flat angles P-C4'-P energy: -104.298
tors. eta vs tors. theta energy: -207.548
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2461.870712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.870712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.049234 (E_RNA)
where:
Base-Base interactions energy: -1720.747
where: short stacking energy: -730.187
Base-Backbone interact. energy: -4.037
local terms energy: -749.265836
where:
bonds (distance) C4'-P energy: -141.327
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -156.920
flat angles P-C4'-P energy: -96.909
tors. eta vs tors. theta energy: -211.471
Dist. restrs. and SS energy: 12.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2321.943055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.943055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.018623 (E_RNA)
where:
Base-Base interactions energy: -1630.916
where: short stacking energy: -686.832
Base-Backbone interact. energy: -1.684
local terms energy: -701.419059
where:
bonds (distance) C4'-P energy: -129.486
bonds (distance) P-C4' energy: -134.579
flat angles C4'-P-C4' energy: -154.178
flat angles P-C4'-P energy: -101.021
tors. eta vs tors. theta energy: -182.155
Dist. restrs. and SS energy: 12.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2286.289856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.289856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.098883 (E_RNA)
where:
Base-Base interactions energy: -1593.367
where: short stacking energy: -683.162
Base-Backbone interact. energy: -3.835
local terms energy: -702.897340
where:
bonds (distance) C4'-P energy: -136.456
bonds (distance) P-C4' energy: -143.035
flat angles C4'-P-C4' energy: -149.273
flat angles P-C4'-P energy: -81.578
tors. eta vs tors. theta energy: -192.556
Dist. restrs. and SS energy: 13.809 (S_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: 24
Temperature: 1.100000
Total energy: -2155.708155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.708155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.124696 (E_RNA)
where:
Base-Base interactions energy: -1515.337
where: short stacking energy: -633.229
Base-Backbone interact. energy: 1.053
local terms energy: -663.841606
where:
bonds (distance) C4'-P energy: -116.514
bonds (distance) P-C4' energy: -130.572
flat angles C4'-P-C4' energy: -149.148
flat angles P-C4'-P energy: -97.862
tors. eta vs tors. theta energy: -169.745
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: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2033.906192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.747380 (E_RNA)
where:
Base-Base interactions energy: -1412.767
where: short stacking energy: -589.300
Base-Backbone interact. energy: -4.308
local terms energy: -636.672424
where:
bonds (distance) C4'-P energy: -135.323
bonds (distance) P-C4' energy: -101.888
flat angles C4'-P-C4' energy: -134.965
flat angles P-C4'-P energy: -98.043
tors. eta vs tors. theta energy: -166.454
Dist. restrs. and SS energy: 19.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2006.215749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.215749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.681065 (E_RNA)
where:
Base-Base interactions energy: -1407.327
where: short stacking energy: -604.812
Base-Backbone interact. energy: -0.925
local terms energy: -625.429843
where:
bonds (distance) C4'-P energy: -124.037
bonds (distance) P-C4' energy: -116.940
flat angles C4'-P-C4' energy: -141.792
flat angles P-C4'-P energy: -71.271
tors. eta vs tors. theta energy: -171.390
Dist. restrs. and SS energy: 27.465 (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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1833.002257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.002257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.884884 (E_RNA)
where:
Base-Base interactions energy: -1272.674
where: short stacking energy: -547.942
Base-Backbone interact. energy: -3.133
local terms energy: -587.077932
where:
bonds (distance) C4'-P energy: -118.696
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -127.537
flat angles P-C4'-P energy: -89.186
tors. eta vs tors. theta energy: -155.332
Dist. restrs. and SS energy: 29.883 (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: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1941.480054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.480054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.323495 (E_RNA)
where:
Base-Base interactions energy: -1366.618
where: short stacking energy: -567.529
Base-Backbone interact. energy: -2.165
local terms energy: -599.540218
where:
bonds (distance) C4'-P energy: -112.269
bonds (distance) P-C4' energy: -134.884
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -60.252
tors. eta vs tors. theta energy: -147.533
Dist. restrs. and SS energy: 26.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1776.067914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.067914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.630947 (E_RNA)
where:
Base-Base interactions energy: -1279.497
where: short stacking energy: -515.731
Base-Backbone interact. energy: -3.301
local terms energy: -512.833512
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -101.399
flat angles C4'-P-C4' energy: -103.072
flat angles P-C4'-P energy: -60.192
tors. eta vs tors. theta energy: -149.452
Dist. restrs. and SS energy: 19.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2579.646881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.646881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.985596 (E_RNA)
where:
Base-Base interactions energy: -1805.565
where: short stacking energy: -731.397
Base-Backbone interact. energy: -2.598
local terms energy: -778.822246
where:
bonds (distance) C4'-P energy: -147.239
bonds (distance) P-C4' energy: -147.032
flat angles C4'-P-C4' energy: -168.740
flat angles P-C4'-P energy: -98.282
tors. eta vs tors. theta energy: -217.530
Dist. restrs. and SS energy: 7.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2507.475177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.475177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.681488 (E_RNA)
where:
Base-Base interactions energy: -1742.617
where: short stacking energy: -737.450
Base-Backbone interact. energy: -2.088
local terms energy: -769.977047
where:
bonds (distance) C4'-P energy: -146.123
bonds (distance) P-C4' energy: -135.816
flat angles C4'-P-C4' energy: -160.176
flat angles P-C4'-P energy: -112.926
tors. eta vs tors. theta energy: -214.936
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: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2352.454814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.454814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.962617 (E_RNA)
where:
Base-Base interactions energy: -1601.790
where: short stacking energy: -710.387
Base-Backbone interact. energy: -1.072
local terms energy: -759.100404
where:
bonds (distance) C4'-P energy: -143.384
bonds (distance) P-C4' energy: -147.894
flat angles C4'-P-C4' energy: -165.252
flat angles P-C4'-P energy: -95.706
tors. eta vs tors. theta energy: -206.865
Dist. restrs. and SS energy: 9.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2248.947119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.947119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.205088 (E_RNA)
where:
Base-Base interactions energy: -1560.918
where: short stacking energy: -669.225
Base-Backbone interact. energy: 1.170
local terms energy: -709.457851
where:
bonds (distance) C4'-P energy: -125.492
bonds (distance) P-C4' energy: -142.901
flat angles C4'-P-C4' energy: -148.765
flat angles P-C4'-P energy: -99.557
tors. eta vs tors. theta energy: -192.742
Dist. restrs. and SS energy: 20.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2122.673518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.673518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.705932 (E_RNA)
where:
Base-Base interactions energy: -1483.067
where: short stacking energy: -643.073
Base-Backbone interact. energy: 1.268
local terms energy: -656.906579
where:
bonds (distance) C4'-P energy: -124.353
bonds (distance) P-C4' energy: -132.614
flat angles C4'-P-C4' energy: -136.487
flat angles P-C4'-P energy: -104.096
tors. eta vs tors. theta energy: -159.356
Dist. restrs. and SS energy: 16.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2086.526518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.526518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.316653 (E_RNA)
where:
Base-Base interactions energy: -1441.528
where: short stacking energy: -612.156
Base-Backbone interact. energy: -2.472
local terms energy: -661.316526
where:
bonds (distance) C4'-P energy: -126.885
bonds (distance) P-C4' energy: -132.301
flat angles C4'-P-C4' energy: -138.690
flat angles P-C4'-P energy: -94.419
tors. eta vs tors. theta energy: -169.021
Dist. restrs. and SS energy: 18.790 (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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2028.269699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.269699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.971813 (E_RNA)
where:
Base-Base interactions energy: -1408.038
where: short stacking energy: -573.099
Base-Backbone interact. energy: 0.148
local terms energy: -648.081567
where:
bonds (distance) C4'-P energy: -112.269
bonds (distance) P-C4' energy: -131.381
flat angles C4'-P-C4' energy: -145.870
flat angles P-C4'-P energy: -94.432
tors. eta vs tors. theta energy: -164.129
Dist. restrs. and SS energy: 27.702 (S_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: 25
Temperature: 1.250000
Total energy: -1983.374015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.374015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.769603 (E_RNA)
where:
Base-Base interactions energy: -1386.736
where: short stacking energy: -591.725
Base-Backbone interact. energy: 3.901
local terms energy: -624.934828
where:
bonds (distance) C4'-P energy: -115.251
bonds (distance) P-C4' energy: -101.489
flat angles C4'-P-C4' energy: -141.602
flat angles P-C4'-P energy: -85.978
tors. eta vs tors. theta energy: -180.614
Dist. restrs. and SS energy: 24.396 (S_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: 25
Temperature: 1.300000
Total energy: -1819.478954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.478954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.772507 (E_RNA)
where:
Base-Base interactions energy: -1282.689
where: short stacking energy: -555.122
Base-Backbone interact. energy: -1.490
local terms energy: -562.593890
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -108.531
flat angles C4'-P-C4' energy: -120.839
flat angles P-C4'-P energy: -75.830
tors. eta vs tors. theta energy: -149.472
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: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1742.585543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.585543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.816308 (E_RNA)
where:
Base-Base interactions energy: -1234.493
where: short stacking energy: -503.183
Base-Backbone interact. energy: -2.652
local terms energy: -531.670919
where:
bonds (distance) C4'-P energy: -112.233
bonds (distance) P-C4' energy: -95.710
flat angles C4'-P-C4' energy: -117.433
flat angles P-C4'-P energy: -63.077
tors. eta vs tors. theta energy: -143.217
Dist. restrs. and SS energy: 26.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2577.558767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.558767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.465492 (E_RNA)
where:
Base-Base interactions energy: -1789.074
where: short stacking energy: -763.602
Base-Backbone interact. energy: -4.635
local terms energy: -790.756561
where:
bonds (distance) C4'-P energy: -145.951
bonds (distance) P-C4' energy: -156.662
flat angles C4'-P-C4' energy: -168.969
flat angles P-C4'-P energy: -102.121
tors. eta vs tors. theta energy: -217.054
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: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2495.642490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.642490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.216805 (E_RNA)
where:
Base-Base interactions energy: -1727.405
where: short stacking energy: -694.926
Base-Backbone interact. energy: -0.228
local terms energy: -772.584418
where:
bonds (distance) C4'-P energy: -143.958
bonds (distance) P-C4' energy: -147.842
flat angles C4'-P-C4' energy: -156.422
flat angles P-C4'-P energy: -118.363
tors. eta vs tors. theta energy: -206.000
Dist. restrs. and SS energy: 4.574 (S_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: -2361.096038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.096038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.044593 (E_RNA)
where:
Base-Base interactions energy: -1640.473
where: short stacking energy: -685.942
Base-Backbone interact. energy: -2.279
local terms energy: -737.292839
where:
bonds (distance) C4'-P energy: -140.308
bonds (distance) P-C4' energy: -139.113
flat angles C4'-P-C4' energy: -156.267
flat angles P-C4'-P energy: -101.193
tors. eta vs tors. theta energy: -200.412
Dist. restrs. and SS energy: 18.949 (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: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2271.662268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.662268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.702117 (E_RNA)
where:
Base-Base interactions energy: -1570.165
where: short stacking energy: -653.151
Base-Backbone interact. energy: -3.046
local terms energy: -716.491962
where:
bonds (distance) C4'-P energy: -138.800
bonds (distance) P-C4' energy: -128.508
flat angles C4'-P-C4' energy: -138.448
flat angles P-C4'-P energy: -117.547
tors. eta vs tors. theta energy: -193.190
Dist. restrs. and SS energy: 18.040 (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: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2146.469201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.469201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.034614 (E_RNA)
where:
Base-Base interactions energy: -1510.368
where: short stacking energy: -645.247
Base-Backbone interact. energy: -3.779
local terms energy: -651.887258
where:
bonds (distance) C4'-P energy: -127.451
bonds (distance) P-C4' energy: -119.665
flat angles C4'-P-C4' energy: -144.703
flat angles P-C4'-P energy: -84.991
tors. eta vs tors. theta energy: -175.078
Dist. restrs. and SS energy: 19.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2146.497912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.497912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.918066 (E_RNA)
where:
Base-Base interactions energy: -1489.545
where: short stacking energy: -623.204
Base-Backbone interact. energy: -0.038
local terms energy: -670.334584
where:
bonds (distance) C4'-P energy: -127.625
bonds (distance) P-C4' energy: -134.501
flat angles C4'-P-C4' energy: -146.863
flat angles P-C4'-P energy: -95.997
tors. eta vs tors. theta energy: -165.349
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: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2104.451846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.451846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.010695 (E_RNA)
where:
Base-Base interactions energy: -1501.673
where: short stacking energy: -603.941
Base-Backbone interact. energy: -1.764
local terms energy: -621.573085
where:
bonds (distance) C4'-P energy: -124.478
bonds (distance) P-C4' energy: -99.937
flat angles C4'-P-C4' energy: -136.572
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -181.979
Dist. restrs. and SS energy: 20.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1948.304846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.304846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.897723 (E_RNA)
where:
Base-Base interactions energy: -1344.570
where: short stacking energy: -558.006
Base-Backbone interact. energy: 2.348
local terms energy: -635.675659
where:
bonds (distance) C4'-P energy: -130.160
bonds (distance) P-C4' energy: -124.876
flat angles C4'-P-C4' energy: -134.486
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -169.444
Dist. restrs. and SS energy: 29.593 (S_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: 26
Temperature: 1.300000
Total energy: -1874.562763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.562763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.004017 (E_RNA)
where:
Base-Base interactions energy: -1302.051
where: short stacking energy: -558.086
Base-Backbone interact. energy: -0.097
local terms energy: -590.855845
where:
bonds (distance) C4'-P energy: -123.263
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -133.906
flat angles P-C4'-P energy: -59.307
tors. eta vs tors. theta energy: -159.348
Dist. restrs. and SS energy: 18.441 (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: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1836.250333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.250333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.079361 (E_RNA)
where:
Base-Base interactions energy: -1300.765
where: short stacking energy: -534.286
Base-Backbone interact. energy: -2.194
local terms energy: -563.119726
where:
bonds (distance) C4'-P energy: -122.904
bonds (distance) P-C4' energy: -120.686
flat angles C4'-P-C4' energy: -119.737
flat angles P-C4'-P energy: -57.316
tors. eta vs tors. theta energy: -142.477
Dist. restrs. and SS energy: 29.829 (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: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2583.106670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.106670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.814002 (E_RNA)
where:
Base-Base interactions energy: -1806.018
where: short stacking energy: -756.411
Base-Backbone interact. energy: 1.331
local terms energy: -792.127584
where:
bonds (distance) C4'-P energy: -160.032
bonds (distance) P-C4' energy: -145.787
flat angles C4'-P-C4' energy: -156.436
flat angles P-C4'-P energy: -101.928
tors. eta vs tors. theta energy: -227.944
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: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2544.614917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.614917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.770459 (E_RNA)
where:
Base-Base interactions energy: -1799.217
where: short stacking energy: -723.789
Base-Backbone interact. energy: -1.000
local terms energy: -749.553663
where:
bonds (distance) C4'-P energy: -139.466
bonds (distance) P-C4' energy: -156.595
flat angles C4'-P-C4' energy: -153.965
flat angles P-C4'-P energy: -104.007
tors. eta vs tors. theta energy: -195.520
Dist. restrs. and SS energy: 5.156 (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: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2389.798574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.798574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.158077 (E_RNA)
where:
Base-Base interactions energy: -1660.725
where: short stacking energy: -707.025
Base-Backbone interact. energy: -5.392
local terms energy: -735.041839
where:
bonds (distance) C4'-P energy: -130.401
bonds (distance) P-C4' energy: -142.888
flat angles C4'-P-C4' energy: -152.373
flat angles P-C4'-P energy: -107.830
tors. eta vs tors. theta energy: -201.550
Dist. restrs. and SS energy: 11.360 (S_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: 27
Temperature: 1.050000
Total energy: -2306.287875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.287875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.613194 (E_RNA)
where:
Base-Base interactions energy: -1590.477
where: short stacking energy: -676.060
Base-Backbone interact. energy: -3.234
local terms energy: -727.902259
where:
bonds (distance) C4'-P energy: -143.067
bonds (distance) P-C4' energy: -137.502
flat angles C4'-P-C4' energy: -152.611
flat angles P-C4'-P energy: -102.615
tors. eta vs tors. theta energy: -192.108
Dist. restrs. and SS energy: 15.325 (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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2188.832903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.832903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.557243 (E_RNA)
where:
Base-Base interactions energy: -1500.904
where: short stacking energy: -634.244
Base-Backbone interact. energy: -3.737
local terms energy: -699.915895
where:
bonds (distance) C4'-P energy: -147.954
bonds (distance) P-C4' energy: -135.467
flat angles C4'-P-C4' energy: -147.549
flat angles P-C4'-P energy: -96.374
tors. eta vs tors. theta energy: -172.572
Dist. restrs. and SS energy: 15.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2176.907429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.907429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.406852 (E_RNA)
where:
Base-Base interactions energy: -1527.644
where: short stacking energy: -662.965
Base-Backbone interact. energy: 2.268
local terms energy: -672.030941
where:
bonds (distance) C4'-P energy: -115.448
bonds (distance) P-C4' energy: -116.622
flat angles C4'-P-C4' energy: -156.366
flat angles P-C4'-P energy: -91.547
tors. eta vs tors. theta energy: -192.048
Dist. restrs. and SS energy: 20.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2029.587772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.587772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.971793 (E_RNA)
where:
Base-Base interactions energy: -1398.374
where: short stacking energy: -591.487
Base-Backbone interact. energy: 0.133
local terms energy: -649.731224
where:
bonds (distance) C4'-P energy: -117.270
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -146.782
flat angles P-C4'-P energy: -91.405
tors. eta vs tors. theta energy: -157.818
Dist. restrs. and SS energy: 18.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1900.553519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.553519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.756140 (E_RNA)
where:
Base-Base interactions energy: -1324.406
where: short stacking energy: -558.431
Base-Backbone interact. energy: 6.450
local terms energy: -604.800574
where:
bonds (distance) C4'-P energy: -129.361
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -145.681
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -157.476
Dist. restrs. and SS energy: 22.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1957.835001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.835001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.927785 (E_RNA)
where:
Base-Base interactions energy: -1370.401
where: short stacking energy: -570.774
Base-Backbone interact. energy: -1.003
local terms energy: -605.523883
where:
bonds (distance) C4'-P energy: -107.939
bonds (distance) P-C4' energy: -130.858
flat angles C4'-P-C4' energy: -129.811
flat angles P-C4'-P energy: -76.263
tors. eta vs tors. theta energy: -160.653
Dist. restrs. and SS energy: 19.093 (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: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1811.927102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.927102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.218498 (E_RNA)
where:
Base-Base interactions energy: -1273.024
where: short stacking energy: -535.714
Base-Backbone interact. energy: 2.575
local terms energy: -571.770325
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -119.305
flat angles C4'-P-C4' energy: -131.516
flat angles P-C4'-P energy: -66.734
tors. eta vs tors. theta energy: -143.734
Dist. restrs. and SS energy: 30.291 (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: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2585.417038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.417038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.454528 (E_RNA)
where:
Base-Base interactions energy: -1809.554
where: short stacking energy: -764.529
Base-Backbone interact. energy: -2.225
local terms energy: -780.675454
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -136.097
flat angles C4'-P-C4' energy: -170.226
flat angles P-C4'-P energy: -122.120
tors. eta vs tors. theta energy: -215.994
Dist. restrs. and SS energy: 7.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2547.150615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.150615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.483473 (E_RNA)
where:
Base-Base interactions energy: -1768.079
where: short stacking energy: -755.114
Base-Backbone interact. energy: -2.757
local terms energy: -785.647168
where:
bonds (distance) C4'-P energy: -138.789
bonds (distance) P-C4' energy: -151.522
flat angles C4'-P-C4' energy: -165.103
flat angles P-C4'-P energy: -106.795
tors. eta vs tors. theta energy: -223.439
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: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2382.444388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.444388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.205434 (E_RNA)
where:
Base-Base interactions energy: -1653.149
where: short stacking energy: -707.100
Base-Backbone interact. energy: -2.783
local terms energy: -741.273420
where:
bonds (distance) C4'-P energy: -132.292
bonds (distance) P-C4' energy: -125.837
flat angles C4'-P-C4' energy: -167.531
flat angles P-C4'-P energy: -108.411
tors. eta vs tors. theta energy: -207.202
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: 4, replica: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2347.669566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.669566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.797147 (E_RNA)
where:
Base-Base interactions energy: -1642.849
where: short stacking energy: -713.092
Base-Backbone interact. energy: -1.543
local terms energy: -716.404358
where:
bonds (distance) C4'-P energy: -139.023
bonds (distance) P-C4' energy: -135.284
flat angles C4'-P-C4' energy: -148.665
flat angles P-C4'-P energy: -99.273
tors. eta vs tors. theta energy: -194.158
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2245.254612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.254612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.362763 (E_RNA)
where:
Base-Base interactions energy: -1553.258
where: short stacking energy: -650.897
Base-Backbone interact. energy: -4.304
local terms energy: -708.800938
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -133.354
flat angles C4'-P-C4' energy: -162.931
flat angles P-C4'-P energy: -98.317
tors. eta vs tors. theta energy: -184.651
Dist. restrs. and SS energy: 21.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2172.711854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.711854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.320270 (E_RNA)
where:
Base-Base interactions energy: -1532.096
where: short stacking energy: -643.411
Base-Backbone interact. energy: -1.590
local terms energy: -659.633703
where:
bonds (distance) C4'-P energy: -120.020
bonds (distance) P-C4' energy: -128.057
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -92.604
tors. eta vs tors. theta energy: -186.275
Dist. restrs. and SS energy: 20.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2045.991140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.991140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.265544 (E_RNA)
where:
Base-Base interactions energy: -1431.302
where: short stacking energy: -589.239
Base-Backbone interact. energy: -2.979
local terms energy: -622.984476
where:
bonds (distance) C4'-P energy: -132.763
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -140.265
flat angles P-C4'-P energy: -81.400
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 11.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1954.432850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.432850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.636809 (E_RNA)
where:
Base-Base interactions energy: -1394.928
where: short stacking energy: -598.369
Base-Backbone interact. energy: 0.203
local terms energy: -585.911958
where:
bonds (distance) C4'-P energy: -121.278
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -120.086
flat angles P-C4'-P energy: -85.498
tors. eta vs tors. theta energy: -164.668
Dist. restrs. and SS energy: 26.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1917.236588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.236588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.450989 (E_RNA)
where:
Base-Base interactions energy: -1332.343
where: short stacking energy: -558.000
Base-Backbone interact. energy: 2.012
local terms energy: -606.119817
where:
bonds (distance) C4'-P energy: -122.711
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -129.411
flat angles P-C4'-P energy: -75.004
tors. eta vs tors. theta energy: -158.931
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1803.466955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.466955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.939832 (E_RNA)
where:
Base-Base interactions energy: -1238.691
where: short stacking energy: -535.857
Base-Backbone interact. energy: -1.048
local terms energy: -590.200688
where:
bonds (distance) C4'-P energy: -112.429
bonds (distance) P-C4' energy: -120.966
flat angles C4'-P-C4' energy: -124.827
flat angles P-C4'-P energy: -84.019
tors. eta vs tors. theta energy: -147.960
Dist. restrs. and SS energy: 26.473 (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: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2589.829681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.829681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.374740 (E_RNA)
where:
Base-Base interactions energy: -1810.499
where: short stacking energy: -737.053
Base-Backbone interact. energy: -0.954
local terms energy: -786.921969
where:
bonds (distance) C4'-P energy: -137.282
bonds (distance) P-C4' energy: -160.228
flat angles C4'-P-C4' energy: -168.124
flat angles P-C4'-P energy: -113.743
tors. eta vs tors. theta energy: -207.546
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: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2539.707688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.707688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.189722 (E_RNA)
where:
Base-Base interactions energy: -1780.435
where: short stacking energy: -748.997
Base-Backbone interact. energy: -2.186
local terms energy: -766.568928
where:
bonds (distance) C4'-P energy: -136.631
bonds (distance) P-C4' energy: -153.176
flat angles C4'-P-C4' energy: -158.415
flat angles P-C4'-P energy: -104.749
tors. eta vs tors. theta energy: -213.599
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: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2352.446569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.446569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.761876 (E_RNA)
where:
Base-Base interactions energy: -1636.251
where: short stacking energy: -704.214
Base-Backbone interact. energy: -3.848
local terms energy: -733.663214
where:
bonds (distance) C4'-P energy: -145.860
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -154.981
flat angles P-C4'-P energy: -98.995
tors. eta vs tors. theta energy: -205.901
Dist. restrs. and SS energy: 21.315 (S_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: 29
Temperature: 1.050000
Total energy: -2377.676052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.676052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.110644 (E_RNA)
where:
Base-Base interactions energy: -1651.068
where: short stacking energy: -697.888
Base-Backbone interact. energy: -1.495
local terms energy: -734.548139
where:
bonds (distance) C4'-P energy: -132.763
bonds (distance) P-C4' energy: -148.014
flat angles C4'-P-C4' energy: -157.313
flat angles P-C4'-P energy: -99.649
tors. eta vs tors. theta energy: -196.809
Dist. restrs. and SS energy: 9.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2189.778606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.778606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.268844 (E_RNA)
where:
Base-Base interactions energy: -1513.127
where: short stacking energy: -624.239
Base-Backbone interact. energy: -2.536
local terms energy: -694.606139
where:
bonds (distance) C4'-P energy: -134.796
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -149.154
flat angles P-C4'-P energy: -94.536
tors. eta vs tors. theta energy: -178.960
Dist. restrs. and SS energy: 20.490 (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: 29
Temperature: 1.150000
Total energy: -2180.151264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.151264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.294296 (E_RNA)
where:
Base-Base interactions energy: -1532.843
where: short stacking energy: -638.462
Base-Backbone interact. energy: -1.176
local terms energy: -672.274866
where:
bonds (distance) C4'-P energy: -118.520
bonds (distance) P-C4' energy: -143.969
flat angles C4'-P-C4' energy: -148.048
flat angles P-C4'-P energy: -68.704
tors. eta vs tors. theta energy: -193.035
Dist. restrs. and SS energy: 26.143 (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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2076.489860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.336759 (E_RNA)
where:
Base-Base interactions energy: -1447.291
where: short stacking energy: -599.373
Base-Backbone interact. energy: -3.593
local terms energy: -649.452535
where:
bonds (distance) C4'-P energy: -122.747
bonds (distance) P-C4' energy: -113.026
flat angles C4'-P-C4' energy: -152.621
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -188.351
Dist. restrs. and SS energy: 23.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -2009.747215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.747215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.270003 (E_RNA)
where:
Base-Base interactions energy: -1401.935
where: short stacking energy: -593.088
Base-Backbone interact. energy: 1.126
local terms energy: -628.461413
where:
bonds (distance) C4'-P energy: -131.510
bonds (distance) P-C4' energy: -112.764
flat angles C4'-P-C4' energy: -129.476
flat angles P-C4'-P energy: -82.625
tors. eta vs tors. theta energy: -172.086
Dist. restrs. and SS energy: 19.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1822.530288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.530288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.020929 (E_RNA)
where:
Base-Base interactions energy: -1301.847
where: short stacking energy: -535.453
Base-Backbone interact. energy: 2.049
local terms energy: -553.222513
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -113.974
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -87.989
tors. eta vs tors. theta energy: -144.053
Dist. restrs. and SS energy: 30.491 (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: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1786.684187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.684187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.093718 (E_RNA)
where:
Base-Base interactions energy: -1289.181
where: short stacking energy: -508.582
Base-Backbone interact. energy: 4.173
local terms energy: -531.085692
where:
bonds (distance) C4'-P energy: -80.119
bonds (distance) P-C4' energy: -108.958
flat angles C4'-P-C4' energy: -121.886
flat angles P-C4'-P energy: -86.509
tors. eta vs tors. theta energy: -133.614
Dist. restrs. and SS energy: 29.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2584.388314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.388314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.740710 (E_RNA)
where:
Base-Base interactions energy: -1809.291
where: short stacking energy: -745.097
Base-Backbone interact. energy: -0.217
local terms energy: -785.233139
where:
bonds (distance) C4'-P energy: -150.560
bonds (distance) P-C4' energy: -149.159
flat angles C4'-P-C4' energy: -161.062
flat angles P-C4'-P energy: -113.759
tors. eta vs tors. theta energy: -210.693
Dist. restrs. and SS energy: 10.352 (S_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: 30
Temperature: 0.950000
Total energy: -2548.784044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.784044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.842160 (E_RNA)
where:
Base-Base interactions energy: -1793.555
where: short stacking energy: -733.530
Base-Backbone interact. energy: -0.830
local terms energy: -758.457511
where:
bonds (distance) C4'-P energy: -140.203
bonds (distance) P-C4' energy: -144.412
flat angles C4'-P-C4' energy: -157.065
flat angles P-C4'-P energy: -101.422
tors. eta vs tors. theta energy: -215.355
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: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2350.334597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.334597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.216594 (E_RNA)
where:
Base-Base interactions energy: -1634.110
where: short stacking energy: -700.343
Base-Backbone interact. energy: -5.038
local terms energy: -726.068413
where:
bonds (distance) C4'-P energy: -142.573
bonds (distance) P-C4' energy: -138.542
flat angles C4'-P-C4' energy: -143.549
flat angles P-C4'-P energy: -103.002
tors. eta vs tors. theta energy: -198.402
Dist. restrs. and SS energy: 14.882 (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: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2380.165686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.908772 (E_RNA)
where:
Base-Base interactions energy: -1622.228
where: short stacking energy: -680.887
Base-Backbone interact. energy: -1.907
local terms energy: -772.773781
where:
bonds (distance) C4'-P energy: -147.305
bonds (distance) P-C4' energy: -154.785
flat angles C4'-P-C4' energy: -171.312
flat angles P-C4'-P energy: -98.990
tors. eta vs tors. theta energy: -200.381
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: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2270.338954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.338954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.722312 (E_RNA)
where:
Base-Base interactions energy: -1593.243
where: short stacking energy: -666.382
Base-Backbone interact. energy: -2.589
local terms energy: -695.891040
where:
bonds (distance) C4'-P energy: -138.380
bonds (distance) P-C4' energy: -131.642
flat angles C4'-P-C4' energy: -134.675
flat angles P-C4'-P energy: -105.561
tors. eta vs tors. theta energy: -185.632
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: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2112.918194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.918194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.385672 (E_RNA)
where:
Base-Base interactions energy: -1494.364
where: short stacking energy: -620.159
Base-Backbone interact. energy: -1.793
local terms energy: -643.228217
where:
bonds (distance) C4'-P energy: -121.684
bonds (distance) P-C4' energy: -118.532
flat angles C4'-P-C4' energy: -148.850
flat angles P-C4'-P energy: -76.469
tors. eta vs tors. theta energy: -177.694
Dist. restrs. and SS energy: 26.467 (S_DIST_RNA)
chem. 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: -2094.827378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.827378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.220073 (E_RNA)
where:
Base-Base interactions energy: -1476.859
where: short stacking energy: -590.505
Base-Backbone interact. energy: -3.035
local terms energy: -632.326713
where:
bonds (distance) C4'-P energy: -119.795
bonds (distance) P-C4' energy: -123.034
flat angles C4'-P-C4' energy: -145.974
flat angles P-C4'-P energy: -76.656
tors. eta vs tors. theta energy: -166.867
Dist. restrs. and SS energy: 17.393 (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: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1970.016793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.016793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.051643 (E_RNA)
where:
Base-Base interactions energy: -1404.628
where: short stacking energy: -588.458
Base-Backbone interact. energy: 1.813
local terms energy: -593.235968
where:
bonds (distance) C4'-P energy: -106.383
bonds (distance) P-C4' energy: -120.386
flat angles C4'-P-C4' energy: -127.823
flat angles P-C4'-P energy: -79.601
tors. eta vs tors. theta energy: -159.044
Dist. restrs. and SS energy: 26.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1799.580282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.580282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.215033 (E_RNA)
where:
Base-Base interactions energy: -1277.809
where: short stacking energy: -535.583
Base-Backbone interact. energy: -1.687
local terms energy: -552.718937
where:
bonds (distance) C4'-P energy: -115.585
bonds (distance) P-C4' energy: -110.066
flat angles C4'-P-C4' energy: -102.188
flat angles P-C4'-P energy: -77.608
tors. eta vs tors. theta energy: -147.273
Dist. restrs. and SS energy: 32.635 (S_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: 30
Temperature: 1.350000
Total energy: -1758.994885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.994885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.018848 (E_RNA)
where:
Base-Base interactions energy: -1216.635
where: short stacking energy: -495.684
Base-Backbone interact. energy: -2.152
local terms energy: -567.231143
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -128.343
flat angles C4'-P-C4' energy: -132.611
flat angles P-C4'-P energy: -70.774
tors. eta vs tors. theta energy: -139.555
Dist. restrs. and SS energy: 27.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2605.517548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.517548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.229163 (E_RNA)
where:
Base-Base interactions energy: -1816.527
where: short stacking energy: -750.325
Base-Backbone interact. energy: 3.537
local terms energy: -796.239108
where:
bonds (distance) C4'-P energy: -152.724
bonds (distance) P-C4' energy: -147.226
flat angles C4'-P-C4' energy: -169.803
flat angles P-C4'-P energy: -112.949
tors. eta vs tors. theta energy: -213.536
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2556.220188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.220188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.775800 (E_RNA)
where:
Base-Base interactions energy: -1809.812
where: short stacking energy: -750.030
Base-Backbone interact. energy: -1.310
local terms energy: -754.653586
where:
bonds (distance) C4'-P energy: -140.401
bonds (distance) P-C4' energy: -130.342
flat angles C4'-P-C4' energy: -154.416
flat angles P-C4'-P energy: -108.326
tors. eta vs tors. theta energy: -221.169
Dist. restrs. and SS energy: 9.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2390.364682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.364682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.963909 (E_RNA)
where:
Base-Base interactions energy: -1641.221
where: short stacking energy: -711.860
Base-Backbone interact. energy: -3.071
local terms energy: -764.671797
where:
bonds (distance) C4'-P energy: -147.600
bonds (distance) P-C4' energy: -142.710
flat angles C4'-P-C4' energy: -150.046
flat angles P-C4'-P energy: -103.682
tors. eta vs tors. theta energy: -220.633
Dist. restrs. and SS energy: 18.599 (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: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2357.529483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.529483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.655418 (E_RNA)
where:
Base-Base interactions energy: -1621.952
where: short stacking energy: -696.646
Base-Backbone interact. energy: -0.989
local terms energy: -753.714690
where:
bonds (distance) C4'-P energy: -144.474
bonds (distance) P-C4' energy: -129.244
flat angles C4'-P-C4' energy: -164.427
flat angles P-C4'-P energy: -106.395
tors. eta vs tors. theta energy: -209.175
Dist. restrs. and SS energy: 19.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2260.381583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.381583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.799530 (E_RNA)
where:
Base-Base interactions energy: -1564.109
where: short stacking energy: -639.077
Base-Backbone interact. energy: -1.375
local terms energy: -709.315378
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -133.859
flat angles C4'-P-C4' energy: -147.843
flat angles P-C4'-P energy: -107.970
tors. eta vs tors. theta energy: -191.211
Dist. restrs. and SS energy: 14.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2131.676189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.676189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.669120 (E_RNA)
where:
Base-Base interactions energy: -1469.131
where: short stacking energy: -624.705
Base-Backbone interact. energy: -1.362
local terms energy: -675.176486
where:
bonds (distance) C4'-P energy: -135.804
bonds (distance) P-C4' energy: -129.449
flat angles C4'-P-C4' energy: -135.663
flat angles P-C4'-P energy: -102.116
tors. eta vs tors. theta energy: -172.145
Dist. restrs. and SS energy: 13.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2034.083363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.083363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.638787 (E_RNA)
where:
Base-Base interactions energy: -1431.009
where: short stacking energy: -592.518
Base-Backbone interact. energy: -2.212
local terms energy: -624.417759
where:
bonds (distance) C4'-P energy: -119.278
bonds (distance) P-C4' energy: -114.065
flat angles C4'-P-C4' energy: -134.461
flat angles P-C4'-P energy: -80.617
tors. eta vs tors. theta energy: -175.997
Dist. restrs. and SS energy: 23.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -2047.494010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.494010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.008813 (E_RNA)
where:
Base-Base interactions energy: -1446.689
where: short stacking energy: -596.195
Base-Backbone interact. energy: -2.392
local terms energy: -618.928512
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -145.621
flat angles P-C4'-P energy: -81.060
tors. eta vs tors. theta energy: -172.756
Dist. restrs. and SS energy: 20.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1814.009085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.009085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.049423 (E_RNA)
where:
Base-Base interactions energy: -1288.415
where: short stacking energy: -535.633
Base-Backbone interact. energy: -3.188
local terms energy: -548.446709
where:
bonds (distance) C4'-P energy: -107.954
bonds (distance) P-C4' energy: -126.823
flat angles C4'-P-C4' energy: -127.806
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -135.527
Dist. restrs. and SS energy: 26.040 (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: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1784.750892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.750892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.617524 (E_RNA)
where:
Base-Base interactions energy: -1229.888
where: short stacking energy: -504.796
Base-Backbone interact. energy: 3.480
local terms energy: -579.209094
where:
bonds (distance) C4'-P energy: -103.084
bonds (distance) P-C4' energy: -127.444
flat angles C4'-P-C4' energy: -130.642
flat angles P-C4'-P energy: -65.564
tors. eta vs tors. theta energy: -152.475
Dist. restrs. and SS energy: 20.867 (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: 32
Temperature: 0.900000
Total energy: -2604.019864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.019864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.950109 (E_RNA)
where:
Base-Base interactions energy: -1827.678
where: short stacking energy: -755.037
Base-Backbone interact. energy: 0.645
local terms energy: -780.916803
where:
bonds (distance) C4'-P energy: -134.023
bonds (distance) P-C4' energy: -157.470
flat angles C4'-P-C4' energy: -163.116
flat angles P-C4'-P energy: -118.362
tors. eta vs tors. theta energy: -207.946
Dist. restrs. and SS energy: 3.930 (S_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: 32
Temperature: 0.950000
Total energy: -2518.035994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.035994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.802637 (E_RNA)
where:
Base-Base interactions energy: -1755.337
where: short stacking energy: -747.936
Base-Backbone interact. energy: -0.365
local terms energy: -773.100644
where:
bonds (distance) C4'-P energy: -133.736
bonds (distance) P-C4' energy: -146.335
flat angles C4'-P-C4' energy: -164.820
flat angles P-C4'-P energy: -115.360
tors. eta vs tors. theta energy: -212.850
Dist. restrs. and SS energy: 10.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2437.866533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.866533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.486101 (E_RNA)
where:
Base-Base interactions energy: -1703.691
where: short stacking energy: -716.072
Base-Backbone interact. energy: 3.120
local terms energy: -750.914358
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -145.567
flat angles C4'-P-C4' energy: -168.908
flat angles P-C4'-P energy: -104.558
tors. eta vs tors. theta energy: -202.366
Dist. restrs. and SS energy: 13.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2317.235323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.235323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.465582 (E_RNA)
where:
Base-Base interactions energy: -1598.139
where: short stacking energy: -681.707
Base-Backbone interact. energy: -2.491
local terms energy: -728.836002
where:
bonds (distance) C4'-P energy: -139.231
bonds (distance) P-C4' energy: -134.443
flat angles C4'-P-C4' energy: -159.642
flat angles P-C4'-P energy: -99.768
tors. eta vs tors. theta energy: -195.752
Dist. restrs. and SS energy: 12.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2303.586267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.586267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.582377 (E_RNA)
where:
Base-Base interactions energy: -1612.771
where: short stacking energy: -666.612
Base-Backbone interact. energy: -3.435
local terms energy: -702.375682
where:
bonds (distance) C4'-P energy: -136.230
bonds (distance) P-C4' energy: -120.451
flat angles C4'-P-C4' energy: -142.913
flat angles P-C4'-P energy: -109.307
tors. eta vs tors. theta energy: -193.475
Dist. restrs. and SS energy: 14.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2184.674979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.674979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.941528 (E_RNA)
where:
Base-Base interactions energy: -1499.026
where: short stacking energy: -611.717
Base-Backbone interact. energy: -1.981
local terms energy: -699.934175
where:
bonds (distance) C4'-P energy: -131.673
bonds (distance) P-C4' energy: -136.500
flat angles C4'-P-C4' energy: -154.877
flat angles P-C4'-P energy: -97.156
tors. eta vs tors. theta energy: -179.729
Dist. restrs. and SS energy: 16.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2106.890878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.890878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.814817 (E_RNA)
where:
Base-Base interactions energy: -1468.499
where: short stacking energy: -608.930
Base-Backbone interact. energy: -1.937
local terms energy: -658.378683
where:
bonds (distance) C4'-P energy: -128.607
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -151.703
flat angles P-C4'-P energy: -87.738
tors. eta vs tors. theta energy: -170.764
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: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1992.015463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.015463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.920158 (E_RNA)
where:
Base-Base interactions energy: -1422.975
where: short stacking energy: -600.941
Base-Backbone interact. energy: -3.613
local terms energy: -593.332829
where:
bonds (distance) C4'-P energy: -102.294
bonds (distance) P-C4' energy: -111.515
flat angles C4'-P-C4' energy: -129.613
flat angles P-C4'-P energy: -86.404
tors. eta vs tors. theta energy: -163.507
Dist. restrs. and SS energy: 27.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1827.420351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.420351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.021036 (E_RNA)
where:
Base-Base interactions energy: -1273.494
where: short stacking energy: -534.086
Base-Backbone interact. energy: -2.777
local terms energy: -578.749400
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -125.972
flat angles C4'-P-C4' energy: -130.056
flat angles P-C4'-P energy: -67.264
tors. eta vs tors. theta energy: -136.289
Dist. restrs. and SS energy: 27.601 (S_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: 32
Temperature: 1.350000
Total energy: -1771.914047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.914047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.404007 (E_RNA)
where:
Base-Base interactions energy: -1256.154
where: short stacking energy: -538.923
Base-Backbone interact. energy: 0.253
local terms energy: -552.503540
where:
bonds (distance) C4'-P energy: -105.960
bonds (distance) P-C4' energy: -126.372
flat angles C4'-P-C4' energy: -114.526
flat angles P-C4'-P energy: -66.274
tors. eta vs tors. theta energy: -139.372
Dist. restrs. and SS energy: 36.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2615.765324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.765324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.019794 (E_RNA)
where:
Base-Base interactions energy: -1832.304
where: short stacking energy: -759.122
Base-Backbone interact. energy: -2.897
local terms energy: -785.818633
where:
bonds (distance) C4'-P energy: -160.798
bonds (distance) P-C4' energy: -145.517
flat angles C4'-P-C4' energy: -158.530
flat angles P-C4'-P energy: -104.605
tors. eta vs tors. theta energy: -216.368
Dist. restrs. and SS energy: 5.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2515.977988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.977988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.515107 (E_RNA)
where:
Base-Base interactions energy: -1744.483
where: short stacking energy: -723.616
Base-Backbone interact. energy: -1.898
local terms energy: -779.133808
where:
bonds (distance) C4'-P energy: -144.442
bonds (distance) P-C4' energy: -141.621
flat angles C4'-P-C4' energy: -169.729
flat angles P-C4'-P energy: -107.059
tors. eta vs tors. theta energy: -216.283
Dist. restrs. and SS energy: 9.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2436.802022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.802022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.341402 (E_RNA)
where:
Base-Base interactions energy: -1672.172
where: short stacking energy: -714.347
Base-Backbone interact. energy: -2.064
local terms energy: -775.105433
where:
bonds (distance) C4'-P energy: -139.705
bonds (distance) P-C4' energy: -141.236
flat angles C4'-P-C4' energy: -159.820
flat angles P-C4'-P energy: -118.155
tors. eta vs tors. theta energy: -216.189
Dist. restrs. and SS energy: 12.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2354.570115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.570115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.613865 (E_RNA)
where:
Base-Base interactions energy: -1606.810
where: short stacking energy: -684.410
Base-Backbone interact. energy: -4.510
local terms energy: -756.293994
where:
bonds (distance) C4'-P energy: -137.752
bonds (distance) P-C4' energy: -153.703
flat angles C4'-P-C4' energy: -146.440
flat angles P-C4'-P energy: -105.117
tors. eta vs tors. theta energy: -213.282
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: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2256.907065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.907065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.584142 (E_RNA)
where:
Base-Base interactions energy: -1585.188
where: short stacking energy: -676.615
Base-Backbone interact. energy: -3.643
local terms energy: -681.753560
where:
bonds (distance) C4'-P energy: -127.723
bonds (distance) P-C4' energy: -132.550
flat angles C4'-P-C4' energy: -128.093
flat angles P-C4'-P energy: -98.903
tors. eta vs tors. theta energy: -194.485
Dist. restrs. and SS energy: 13.677 (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: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2148.529960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.529960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.975364 (E_RNA)
where:
Base-Base interactions energy: -1498.074
where: short stacking energy: -629.465
Base-Backbone interact. energy: -1.334
local terms energy: -667.566925
where:
bonds (distance) C4'-P energy: -131.902
bonds (distance) P-C4' energy: -124.010
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -100.831
tors. eta vs tors. theta energy: -181.287
Dist. restrs. and SS energy: 18.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2087.278322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.278322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.409091 (E_RNA)
where:
Base-Base interactions energy: -1487.634
where: short stacking energy: -599.414
Base-Backbone interact. energy: -4.759
local terms energy: -613.016443
where:
bonds (distance) C4'-P energy: -118.539
bonds (distance) P-C4' energy: -119.399
flat angles C4'-P-C4' energy: -124.271
flat angles P-C4'-P energy: -89.824
tors. eta vs tors. theta energy: -160.985
Dist. restrs. and SS energy: 18.131 (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: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1962.728011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.728011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.531105 (E_RNA)
where:
Base-Base interactions energy: -1376.778
where: short stacking energy: -564.809
Base-Backbone interact. energy: 0.023
local terms energy: -608.775524
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -108.450
flat angles C4'-P-C4' energy: -146.372
flat angles P-C4'-P energy: -86.429
tors. eta vs tors. theta energy: -157.298
Dist. restrs. and SS energy: 22.803 (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: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1834.400811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.400811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.564498 (E_RNA)
where:
Base-Base interactions energy: -1265.672
where: short stacking energy: -546.029
Base-Backbone interact. energy: 1.579
local terms energy: -593.470689
where:
bonds (distance) C4'-P energy: -128.427
bonds (distance) P-C4' energy: -127.226
flat angles C4'-P-C4' energy: -129.942
flat angles P-C4'-P energy: -71.226
tors. eta vs tors. theta energy: -136.649
Dist. restrs. and SS energy: 23.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1766.317734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.317734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.902881 (E_RNA)
where:
Base-Base interactions energy: -1240.644
where: short stacking energy: -506.990
Base-Backbone interact. energy: -2.489
local terms energy: -551.770610
where:
bonds (distance) C4'-P energy: -123.348
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -120.548
flat angles P-C4'-P energy: -68.746
tors. eta vs tors. theta energy: -135.425
Dist. restrs. and SS energy: 28.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2592.735819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.735819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.586247 (E_RNA)
where:
Base-Base interactions energy: -1812.389
where: short stacking energy: -754.660
Base-Backbone interact. energy: -3.758
local terms energy: -782.439454
where:
bonds (distance) C4'-P energy: -152.585
bonds (distance) P-C4' energy: -149.495
flat angles C4'-P-C4' energy: -156.872
flat angles P-C4'-P energy: -111.841
tors. eta vs tors. theta energy: -211.646
Dist. restrs. and SS energy: 5.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2530.221768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.221768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.149678 (E_RNA)
where:
Base-Base interactions energy: -1761.241
where: short stacking energy: -714.414
Base-Backbone interact. energy: -2.662
local terms energy: -771.246514
where:
bonds (distance) C4'-P energy: -128.517
bonds (distance) P-C4' energy: -155.257
flat angles C4'-P-C4' energy: -153.852
flat angles P-C4'-P energy: -111.064
tors. eta vs tors. theta energy: -222.557
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: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2413.029446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.029446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.012179 (E_RNA)
where:
Base-Base interactions energy: -1702.011
where: short stacking energy: -716.848
Base-Backbone interact. energy: -1.317
local terms energy: -721.684182
where:
bonds (distance) C4'-P energy: -120.909
bonds (distance) P-C4' energy: -149.658
flat angles C4'-P-C4' energy: -150.608
flat angles P-C4'-P energy: -88.746
tors. eta vs tors. theta energy: -211.764
Dist. restrs. and SS energy: 11.983 (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: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2321.188551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.188551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.496359 (E_RNA)
where:
Base-Base interactions energy: -1597.720
where: short stacking energy: -675.659
Base-Backbone interact. energy: -3.023
local terms energy: -736.753465
where:
bonds (distance) C4'-P energy: -142.416
bonds (distance) P-C4' energy: -148.221
flat angles C4'-P-C4' energy: -156.226
flat angles P-C4'-P energy: -91.799
tors. eta vs tors. theta energy: -198.091
Dist. restrs. and SS energy: 16.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2210.353113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.353113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.977656 (E_RNA)
where:
Base-Base interactions energy: -1541.953
where: short stacking energy: -676.156
Base-Backbone interact. energy: -3.052
local terms energy: -683.972731
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -121.989
flat angles C4'-P-C4' energy: -160.650
flat angles P-C4'-P energy: -85.725
tors. eta vs tors. theta energy: -196.555
Dist. restrs. and SS energy: 18.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2225.318437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.318437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.675835 (E_RNA)
where:
Base-Base interactions energy: -1573.050
where: short stacking energy: -677.484
Base-Backbone interact. energy: -0.247
local terms energy: -664.379228
where:
bonds (distance) C4'-P energy: -116.803
bonds (distance) P-C4' energy: -140.240
flat angles C4'-P-C4' energy: -138.477
flat angles P-C4'-P energy: -75.985
tors. eta vs tors. theta energy: -192.874
Dist. restrs. and SS energy: 12.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2049.577667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.577667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.013719 (E_RNA)
where:
Base-Base interactions energy: -1440.263
where: short stacking energy: -583.152
Base-Backbone interact. energy: -3.353
local terms energy: -627.397560
where:
bonds (distance) C4'-P energy: -110.962
bonds (distance) P-C4' energy: -136.076
flat angles C4'-P-C4' energy: -141.729
flat angles P-C4'-P energy: -84.429
tors. eta vs tors. theta energy: -154.202
Dist. restrs. and SS energy: 21.436 (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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1995.956426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.956426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.530545 (E_RNA)
where:
Base-Base interactions energy: -1398.683
where: short stacking energy: -589.796
Base-Backbone interact. energy: 1.394
local terms energy: -631.241770
where:
bonds (distance) C4'-P energy: -127.034
bonds (distance) P-C4' energy: -121.872
flat angles C4'-P-C4' energy: -126.482
flat angles P-C4'-P energy: -90.609
tors. eta vs tors. theta energy: -165.245
Dist. restrs. and SS energy: 32.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1841.245796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.245796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.800426 (E_RNA)
where:
Base-Base interactions energy: -1266.914
where: short stacking energy: -496.001
Base-Backbone interact. energy: 0.425
local terms energy: -603.310677
where:
bonds (distance) C4'-P energy: -120.568
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -135.391
flat angles P-C4'-P energy: -86.319
tors. eta vs tors. theta energy: -141.219
Dist. restrs. and SS energy: 28.555 (S_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: 34
Temperature: 1.350000
Total energy: -1779.919537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.919537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.797274 (E_RNA)
where:
Base-Base interactions energy: -1248.690
where: short stacking energy: -525.884
Base-Backbone interact. energy: -1.815
local terms energy: -564.292761
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -109.261
flat angles C4'-P-C4' energy: -133.134
flat angles P-C4'-P energy: -68.688
tors. eta vs tors. theta energy: -149.666
Dist. restrs. and SS energy: 34.878 (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: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2616.758874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.758874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.177401 (E_RNA)
where:
Base-Base interactions energy: -1845.282
where: short stacking energy: -761.330
Base-Backbone interact. energy: 0.369
local terms energy: -776.263453
where:
bonds (distance) C4'-P energy: -150.818
bonds (distance) P-C4' energy: -141.026
flat angles C4'-P-C4' energy: -161.481
flat angles P-C4'-P energy: -117.831
tors. eta vs tors. theta energy: -205.107
Dist. restrs. and SS energy: 4.419 (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: 35
Temperature: 0.950000
Total energy: -2529.347299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.347299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.468608 (E_RNA)
where:
Base-Base interactions energy: -1754.391
where: short stacking energy: -735.011
Base-Backbone interact. energy: -1.402
local terms energy: -784.675857
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -154.542
flat angles C4'-P-C4' energy: -177.092
flat angles P-C4'-P energy: -120.552
tors. eta vs tors. theta energy: -206.183
Dist. restrs. and SS energy: 11.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2415.309384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.309384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.350795 (E_RNA)
where:
Base-Base interactions energy: -1678.777
where: short stacking energy: -715.133
Base-Backbone interact. energy: -2.736
local terms energy: -746.838005
where:
bonds (distance) C4'-P energy: -136.156
bonds (distance) P-C4' energy: -137.514
flat angles C4'-P-C4' energy: -165.344
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -204.880
Dist. restrs. and SS energy: 13.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2312.273331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.273331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.005402 (E_RNA)
where:
Base-Base interactions energy: -1608.786
where: short stacking energy: -716.080
Base-Backbone interact. energy: -1.358
local terms energy: -710.861598
where:
bonds (distance) C4'-P energy: -113.470
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -160.207
flat angles P-C4'-P energy: -103.895
tors. eta vs tors. theta energy: -205.167
Dist. restrs. and SS energy: 8.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2181.867718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.867718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.721405 (E_RNA)
where:
Base-Base interactions energy: -1522.577
where: short stacking energy: -662.944
Base-Backbone interact. energy: 0.106
local terms energy: -679.249662
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -126.613
flat angles C4'-P-C4' energy: -140.970
flat angles P-C4'-P energy: -103.530
tors. eta vs tors. theta energy: -191.797
Dist. restrs. and SS energy: 19.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2159.658461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.658461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.850937 (E_RNA)
where:
Base-Base interactions energy: -1542.214
where: short stacking energy: -649.653
Base-Backbone interact. energy: -2.276
local terms energy: -643.360118
where:
bonds (distance) C4'-P energy: -108.716
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -150.079
flat angles P-C4'-P energy: -82.375
tors. eta vs tors. theta energy: -184.297
Dist. restrs. and SS energy: 28.192 (S_DIST_RNA)
chem. 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: -2141.206928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.206928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.108356 (E_RNA)
where:
Base-Base interactions energy: -1510.799
where: short stacking energy: -600.595
Base-Backbone interact. energy: -2.613
local terms energy: -641.696030
where:
bonds (distance) C4'-P energy: -118.557
bonds (distance) P-C4' energy: -123.580
flat angles C4'-P-C4' energy: -136.251
flat angles P-C4'-P energy: -76.632
tors. eta vs tors. theta energy: -186.676
Dist. restrs. and SS energy: 13.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1976.168075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.168075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.185769 (E_RNA)
where:
Base-Base interactions energy: -1380.553
where: short stacking energy: -577.762
Base-Backbone interact. energy: 2.848
local terms energy: -622.480754
where:
bonds (distance) C4'-P energy: -118.735
bonds (distance) P-C4' energy: -107.337
flat angles C4'-P-C4' energy: -141.661
flat angles P-C4'-P energy: -92.864
tors. eta vs tors. theta energy: -161.884
Dist. restrs. and SS energy: 24.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1865.895080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.895080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.444540 (E_RNA)
where:
Base-Base interactions energy: -1327.845
where: short stacking energy: -556.968
Base-Backbone interact. energy: -2.559
local terms energy: -562.040611
where:
bonds (distance) C4'-P energy: -106.682
bonds (distance) P-C4' energy: -113.100
flat angles C4'-P-C4' energy: -129.549
flat angles P-C4'-P energy: -64.103
tors. eta vs tors. theta energy: -148.606
Dist. restrs. and SS energy: 26.549 (S_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: 35
Temperature: 1.350000
Total energy: -1762.807297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.807297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.792417 (E_RNA)
where:
Base-Base interactions energy: -1229.249
where: short stacking energy: -510.773
Base-Backbone interact. energy: 2.066
local terms energy: -564.609677
where:
bonds (distance) C4'-P energy: -114.663
bonds (distance) P-C4' energy: -115.618
flat angles C4'-P-C4' energy: -122.527
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: -140.868
Dist. restrs. and SS energy: 28.985 (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: 36
Temperature: 0.900000
Total energy: -2610.851672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.851672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.953974 (E_RNA)
where:
Base-Base interactions energy: -1845.043
where: short stacking energy: -762.236
Base-Backbone interact. energy: -1.306
local terms energy: -771.604390
where:
bonds (distance) C4'-P energy: -124.260
bonds (distance) P-C4' energy: -144.567
flat angles C4'-P-C4' energy: -169.828
flat angles P-C4'-P energy: -123.979
tors. eta vs tors. theta energy: -208.971
Dist. restrs. and SS energy: 7.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2531.697430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.697430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.932687 (E_RNA)
where:
Base-Base interactions energy: -1774.577
where: short stacking energy: -742.963
Base-Backbone interact. energy: -1.930
local terms energy: -761.425378
where:
bonds (distance) C4'-P energy: -152.835
bonds (distance) P-C4' energy: -131.562
flat angles C4'-P-C4' energy: -159.317
flat angles P-C4'-P energy: -104.549
tors. eta vs tors. theta energy: -213.162
Dist. restrs. and SS energy: 6.235 (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: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2453.846994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.846994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.833809 (E_RNA)
where:
Base-Base interactions energy: -1700.842
where: short stacking energy: -692.918
Base-Backbone interact. energy: -0.592
local terms energy: -763.400253
where:
bonds (distance) C4'-P energy: -149.724
bonds (distance) P-C4' energy: -144.996
flat angles C4'-P-C4' energy: -154.601
flat angles P-C4'-P energy: -109.510
tors. eta vs tors. theta energy: -204.569
Dist. restrs. and SS energy: 10.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2327.415014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.415014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.329399 (E_RNA)
where:
Base-Base interactions energy: -1609.394
where: short stacking energy: -663.126
Base-Backbone interact. energy: -0.442
local terms energy: -727.493175
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -135.923
flat angles C4'-P-C4' energy: -153.520
flat angles P-C4'-P energy: -102.294
tors. eta vs tors. theta energy: -202.799
Dist. restrs. and SS energy: 9.914 (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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2261.036797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.036797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.179863 (E_RNA)
where:
Base-Base interactions energy: -1605.139
where: short stacking energy: -670.444
Base-Backbone interact. energy: 2.092
local terms energy: -677.132663
where:
bonds (distance) C4'-P energy: -117.772
bonds (distance) P-C4' energy: -125.692
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -86.526
tors. eta vs tors. theta energy: -194.475
Dist. restrs. and SS energy: 19.143 (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: 36
Temperature: 1.150000
Total energy: -2136.271721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.271721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.836574 (E_RNA)
where:
Base-Base interactions energy: -1511.157
where: short stacking energy: -623.172
Base-Backbone interact. energy: -2.393
local terms energy: -641.285765
where:
bonds (distance) C4'-P energy: -103.946
bonds (distance) P-C4' energy: -139.159
flat angles C4'-P-C4' energy: -131.205
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -174.139
Dist. restrs. and SS energy: 18.565 (S_DIST_RNA)
chem. 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: -2158.827593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.827593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.109471 (E_RNA)
where:
Base-Base interactions energy: -1511.442
where: short stacking energy: -617.562
Base-Backbone interact. energy: -1.324
local terms energy: -661.343497
where:
bonds (distance) C4'-P energy: -128.336
bonds (distance) P-C4' energy: -110.716
flat angles C4'-P-C4' energy: -150.093
flat angles P-C4'-P energy: -89.220
tors. eta vs tors. theta energy: -182.979
Dist. restrs. and SS energy: 15.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1998.132936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.132936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.118299 (E_RNA)
where:
Base-Base interactions energy: -1410.747
where: short stacking energy: -577.608
Base-Backbone interact. energy: 5.162
local terms energy: -609.533396
where:
bonds (distance) C4'-P energy: -128.199
bonds (distance) P-C4' energy: -102.025
flat angles C4'-P-C4' energy: -137.560
flat angles P-C4'-P energy: -78.658
tors. eta vs tors. theta energy: -163.091
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: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1928.242783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.242783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.133931 (E_RNA)
where:
Base-Base interactions energy: -1355.790
where: short stacking energy: -548.937
Base-Backbone interact. energy: 0.465
local terms energy: -595.808285
where:
bonds (distance) C4'-P energy: -112.276
bonds (distance) P-C4' energy: -119.436
flat angles C4'-P-C4' energy: -127.751
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -154.613
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1758.685511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.685511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.994941 (E_RNA)
where:
Base-Base interactions energy: -1239.125
where: short stacking energy: -492.556
Base-Backbone interact. energy: -2.846
local terms energy: -546.024471
where:
bonds (distance) C4'-P energy: -123.166
bonds (distance) P-C4' energy: -109.492
flat angles C4'-P-C4' energy: -126.077
flat angles P-C4'-P energy: -67.621
tors. eta vs tors. theta energy: -119.668
Dist. restrs. and SS energy: 29.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2612.615268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.615268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.533571 (E_RNA)
where:
Base-Base interactions energy: -1829.680
where: short stacking energy: -759.648
Base-Backbone interact. energy: -0.573
local terms energy: -787.280356
where:
bonds (distance) C4'-P energy: -143.753
bonds (distance) P-C4' energy: -144.273
flat angles C4'-P-C4' energy: -170.073
flat angles P-C4'-P energy: -110.643
tors. eta vs tors. theta energy: -218.539
Dist. restrs. and SS energy: 4.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2557.060063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.060063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.156749 (E_RNA)
where:
Base-Base interactions energy: -1771.791
where: short stacking energy: -769.970
Base-Backbone interact. energy: -1.725
local terms energy: -793.640944
where:
bonds (distance) C4'-P energy: -138.724
bonds (distance) P-C4' energy: -158.785
flat angles C4'-P-C4' energy: -178.336
flat angles P-C4'-P energy: -95.534
tors. eta vs tors. theta energy: -222.262
Dist. restrs. and SS energy: 10.097 (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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2460.689491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.689491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.114641 (E_RNA)
where:
Base-Base interactions energy: -1745.854
where: short stacking energy: -742.355
Base-Backbone interact. energy: -3.781
local terms energy: -721.480191
where:
bonds (distance) C4'-P energy: -134.995
bonds (distance) P-C4' energy: -144.601
flat angles C4'-P-C4' energy: -158.179
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -202.538
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: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2325.262744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.262744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.455514 (E_RNA)
where:
Base-Base interactions energy: -1608.408
where: short stacking energy: -690.454
Base-Backbone interact. energy: -2.858
local terms energy: -731.189155
where:
bonds (distance) C4'-P energy: -154.165
bonds (distance) P-C4' energy: -142.186
flat angles C4'-P-C4' energy: -146.248
flat angles P-C4'-P energy: -89.839
tors. eta vs tors. theta energy: -198.751
Dist. restrs. and SS energy: 17.193 (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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2318.280983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.280983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.395001 (E_RNA)
where:
Base-Base interactions energy: -1615.887
where: short stacking energy: -660.167
Base-Backbone interact. energy: -3.408
local terms energy: -709.099833
where:
bonds (distance) C4'-P energy: -133.778
bonds (distance) P-C4' energy: -123.468
flat angles C4'-P-C4' energy: -155.078
flat angles P-C4'-P energy: -91.110
tors. eta vs tors. theta energy: -205.666
Dist. restrs. and SS energy: 10.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2202.874179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.874179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.219358 (E_RNA)
where:
Base-Base interactions energy: -1540.927
where: short stacking energy: -626.631
Base-Backbone interact. energy: -3.911
local terms energy: -674.381736
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -131.441
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -92.639
tors. eta vs tors. theta energy: -173.832
Dist. restrs. and SS energy: 16.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2122.919663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.919663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.004527 (E_RNA)
where:
Base-Base interactions energy: -1478.374
where: short stacking energy: -627.452
Base-Backbone interact. energy: -2.674
local terms energy: -659.956638
where:
bonds (distance) C4'-P energy: -122.325
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -146.129
flat angles P-C4'-P energy: -99.401
tors. eta vs tors. theta energy: -176.477
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: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2003.527387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.527387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.726470 (E_RNA)
where:
Base-Base interactions energy: -1398.353
where: short stacking energy: -570.207
Base-Backbone interact. energy: -3.802
local terms energy: -620.572274
where:
bonds (distance) C4'-P energy: -136.598
bonds (distance) P-C4' energy: -103.929
flat angles C4'-P-C4' energy: -132.850
flat angles P-C4'-P energy: -88.577
tors. eta vs tors. theta energy: -158.619
Dist. restrs. and SS energy: 19.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1931.489273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.489273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.830146 (E_RNA)
where:
Base-Base interactions energy: -1358.296
where: short stacking energy: -562.367
Base-Backbone interact. energy: -1.495
local terms energy: -592.039129
where:
bonds (distance) C4'-P energy: -105.180
bonds (distance) P-C4' energy: -112.842
flat angles C4'-P-C4' energy: -142.703
flat angles P-C4'-P energy: -72.446
tors. eta vs tors. theta energy: -158.868
Dist. restrs. and SS energy: 20.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1759.752664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.752664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.735984 (E_RNA)
where:
Base-Base interactions energy: -1223.619
where: short stacking energy: -496.770
Base-Backbone interact. energy: 0.730
local terms energy: -557.847203
where:
bonds (distance) C4'-P energy: -117.070
bonds (distance) P-C4' energy: -132.494
flat angles C4'-P-C4' energy: -123.166
flat angles P-C4'-P energy: -63.235
tors. eta vs tors. theta energy: -121.883
Dist. restrs. and SS energy: 20.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2601.938123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.938123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.136180 (E_RNA)
where:
Base-Base interactions energy: -1828.485
where: short stacking energy: -755.280
Base-Backbone interact. energy: -1.949
local terms energy: -777.701818
where:
bonds (distance) C4'-P energy: -133.882
bonds (distance) P-C4' energy: -163.993
flat angles C4'-P-C4' energy: -160.271
flat angles P-C4'-P energy: -112.072
tors. eta vs tors. theta energy: -207.483
Dist. restrs. and SS energy: 6.198 (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: 38
Temperature: 0.950000
Total energy: -2556.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.548189 (E_RNA)
where:
Base-Base interactions energy: -1785.461
where: short stacking energy: -756.733
Base-Backbone interact. energy: -1.522
local terms energy: -785.565058
where:
bonds (distance) C4'-P energy: -138.787
bonds (distance) P-C4' energy: -157.788
flat angles C4'-P-C4' energy: -162.047
flat angles P-C4'-P energy: -103.127
tors. eta vs tors. theta energy: -223.816
Dist. restrs. and SS energy: 16.194 (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: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2474.724878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.724878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.416065 (E_RNA)
where:
Base-Base interactions energy: -1735.420
where: short stacking energy: -739.897
Base-Backbone interact. energy: -2.211
local terms energy: -748.784222
where:
bonds (distance) C4'-P energy: -124.882
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -165.436
flat angles P-C4'-P energy: -111.288
tors. eta vs tors. theta energy: -221.997
Dist. restrs. and SS energy: 11.691 (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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2305.671843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.671843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.058918 (E_RNA)
where:
Base-Base interactions energy: -1598.282
where: short stacking energy: -680.357
Base-Backbone interact. energy: 0.172
local terms energy: -719.949588
where:
bonds (distance) C4'-P energy: -128.041
bonds (distance) P-C4' energy: -137.014
flat angles C4'-P-C4' energy: -156.671
flat angles P-C4'-P energy: -102.541
tors. eta vs tors. theta energy: -195.683
Dist. restrs. and SS energy: 12.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2301.209607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.209607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.415844 (E_RNA)
where:
Base-Base interactions energy: -1607.171
where: short stacking energy: -671.322
Base-Backbone interact. energy: -3.029
local terms energy: -700.215210
where:
bonds (distance) C4'-P energy: -142.701
bonds (distance) P-C4' energy: -111.082
flat angles C4'-P-C4' energy: -159.727
flat angles P-C4'-P energy: -89.033
tors. eta vs tors. theta energy: -197.671
Dist. restrs. and SS energy: 9.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2241.777820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.777820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.062274 (E_RNA)
where:
Base-Base interactions energy: -1567.449
where: short stacking energy: -661.885
Base-Backbone interact. energy: -2.527
local terms energy: -687.086527
where:
bonds (distance) C4'-P energy: -130.467
bonds (distance) P-C4' energy: -128.960
flat angles C4'-P-C4' energy: -138.658
flat angles P-C4'-P energy: -94.763
tors. eta vs tors. theta energy: -194.238
Dist. restrs. and SS energy: 15.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2194.256384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.256384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.816671 (E_RNA)
where:
Base-Base interactions energy: -1524.407
where: short stacking energy: -624.348
Base-Backbone interact. energy: 1.201
local terms energy: -686.610551
where:
bonds (distance) C4'-P energy: -139.634
bonds (distance) P-C4' energy: -135.329
flat angles C4'-P-C4' energy: -147.251
flat angles P-C4'-P energy: -84.318
tors. eta vs tors. theta energy: -180.079
Dist. restrs. and SS energy: 15.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2041.110011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.110011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.817764 (E_RNA)
where:
Base-Base interactions energy: -1428.226
where: short stacking energy: -605.150
Base-Backbone interact. energy: 2.516
local terms energy: -630.107425
where:
bonds (distance) C4'-P energy: -98.188
bonds (distance) P-C4' energy: -126.671
flat angles C4'-P-C4' energy: -141.903
flat angles P-C4'-P energy: -93.718
tors. eta vs tors. theta energy: -169.628
Dist. restrs. and SS energy: 14.708 (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: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1913.090237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.090237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.776550 (E_RNA)
where:
Base-Base interactions energy: -1348.897
where: short stacking energy: -566.880
Base-Backbone interact. energy: -3.842
local terms energy: -590.036899
where:
bonds (distance) C4'-P energy: -102.557
bonds (distance) P-C4' energy: -111.838
flat angles C4'-P-C4' energy: -122.349
flat angles P-C4'-P energy: -87.838
tors. eta vs tors. theta energy: -165.455
Dist. restrs. and SS energy: 29.686 (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: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1762.119866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.119866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.852205 (E_RNA)
where:
Base-Base interactions energy: -1243.798
where: short stacking energy: -516.331
Base-Backbone interact. energy: -2.402
local terms energy: -544.651622
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -111.099
flat angles C4'-P-C4' energy: -125.858
flat angles P-C4'-P energy: -74.379
tors. eta vs tors. theta energy: -140.815
Dist. restrs. and SS energy: 28.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2595.793408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.793408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.669785 (E_RNA)
where:
Base-Base interactions energy: -1792.547
where: short stacking energy: -760.956
Base-Backbone interact. energy: -1.200
local terms energy: -808.923013
where:
bonds (distance) C4'-P energy: -158.875
bonds (distance) P-C4' energy: -144.359
flat angles C4'-P-C4' energy: -167.518
flat angles P-C4'-P energy: -116.837
tors. eta vs tors. theta energy: -221.333
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: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2560.638961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.638961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.617232 (E_RNA)
where:
Base-Base interactions energy: -1802.871
where: short stacking energy: -751.451
Base-Backbone interact. energy: -3.072
local terms energy: -765.674974
where:
bonds (distance) C4'-P energy: -126.092
bonds (distance) P-C4' energy: -150.185
flat angles C4'-P-C4' energy: -162.596
flat angles P-C4'-P energy: -105.974
tors. eta vs tors. theta energy: -220.829
Dist. restrs. and SS energy: 10.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2432.282445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.282445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.920176 (E_RNA)
where:
Base-Base interactions energy: -1678.659
where: short stacking energy: -718.992
Base-Backbone interact. energy: -2.194
local terms energy: -760.067002
where:
bonds (distance) C4'-P energy: -139.289
bonds (distance) P-C4' energy: -154.516
flat angles C4'-P-C4' energy: -155.979
flat angles P-C4'-P energy: -100.116
tors. eta vs tors. theta energy: -210.168
Dist. restrs. and SS energy: 8.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2372.957989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.957989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.947989 (E_RNA)
where:
Base-Base interactions energy: -1665.072
where: short stacking energy: -697.599
Base-Backbone interact. energy: -3.810
local terms energy: -721.066322
where:
bonds (distance) C4'-P energy: -137.492
bonds (distance) P-C4' energy: -120.667
flat angles C4'-P-C4' energy: -153.511
flat angles P-C4'-P energy: -100.029
tors. eta vs tors. theta energy: -209.368
Dist. restrs. and SS energy: 16.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2294.195044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.195044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.794075 (E_RNA)
where:
Base-Base interactions energy: -1594.421
where: short stacking energy: -690.187
Base-Backbone interact. energy: -2.704
local terms energy: -708.669298
where:
bonds (distance) C4'-P energy: -133.035
bonds (distance) P-C4' energy: -124.467
flat angles C4'-P-C4' energy: -131.319
flat angles P-C4'-P energy: -110.288
tors. eta vs tors. theta energy: -209.560
Dist. restrs. and SS energy: 11.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2280.032271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.032271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.239983 (E_RNA)
where:
Base-Base interactions energy: -1590.314
where: short stacking energy: -683.992
Base-Backbone interact. energy: -0.970
local terms energy: -704.955668
where:
bonds (distance) C4'-P energy: -142.000
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -147.086
flat angles P-C4'-P energy: -92.267
tors. eta vs tors. theta energy: -205.313
Dist. restrs. and SS energy: 16.208 (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: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2126.656754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.656754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.757891 (E_RNA)
where:
Base-Base interactions energy: -1504.844
where: short stacking energy: -626.339
Base-Backbone interact. energy: 0.296
local terms energy: -643.209856
where:
bonds (distance) C4'-P energy: -119.668
bonds (distance) P-C4' energy: -105.212
flat angles C4'-P-C4' energy: -142.845
flat angles P-C4'-P energy: -94.200
tors. eta vs tors. theta energy: -181.285
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: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2082.988790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.988790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.396350 (E_RNA)
where:
Base-Base interactions energy: -1475.181
where: short stacking energy: -614.609
Base-Backbone interact. energy: 0.477
local terms energy: -621.692983
where:
bonds (distance) C4'-P energy: -117.179
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -132.038
flat angles P-C4'-P energy: -89.129
tors. eta vs tors. theta energy: -170.173
Dist. restrs. and SS energy: 13.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1919.560109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.560109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.203382 (E_RNA)
where:
Base-Base interactions energy: -1323.837
where: short stacking energy: -547.588
Base-Backbone interact. energy: -0.955
local terms energy: -635.411401
where:
bonds (distance) C4'-P energy: -138.903
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -130.329
flat angles P-C4'-P energy: -75.339
tors. eta vs tors. theta energy: -152.614
Dist. restrs. and SS energy: 40.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1833.083357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.083357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.045072 (E_RNA)
where:
Base-Base interactions energy: -1284.957
where: short stacking energy: -539.717
Base-Backbone interact. energy: -1.036
local terms energy: -582.052205
where:
bonds (distance) C4'-P energy: -116.623
bonds (distance) P-C4' energy: -111.914
flat angles C4'-P-C4' energy: -113.045
flat angles P-C4'-P energy: -81.232
tors. eta vs tors. theta energy: -159.238
Dist. restrs. and SS energy: 34.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2599.580460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.580460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.949939 (E_RNA)
where:
Base-Base interactions energy: -1830.582
where: short stacking energy: -754.766
Base-Backbone interact. energy: -1.198
local terms energy: -774.170153
where:
bonds (distance) C4'-P energy: -132.234
bonds (distance) P-C4' energy: -144.824
flat angles C4'-P-C4' energy: -167.032
flat angles P-C4'-P energy: -108.994
tors. eta vs tors. theta energy: -221.087
Dist. restrs. and SS energy: 6.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2575.244127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.244127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.224341 (E_RNA)
where:
Base-Base interactions energy: -1813.985
where: short stacking energy: -761.008
Base-Backbone interact. energy: 2.354
local terms energy: -773.593291
where:
bonds (distance) C4'-P energy: -127.399
bonds (distance) P-C4' energy: -156.544
flat angles C4'-P-C4' energy: -157.012
flat angles P-C4'-P energy: -107.650
tors. eta vs tors. theta energy: -224.988
Dist. restrs. and SS energy: 9.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2426.027387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.027387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.492676 (E_RNA)
where:
Base-Base interactions energy: -1692.915
where: short stacking energy: -705.789
Base-Backbone interact. energy: -1.895
local terms energy: -738.682908
where:
bonds (distance) C4'-P energy: -129.020
bonds (distance) P-C4' energy: -146.578
flat angles C4'-P-C4' energy: -152.047
flat angles P-C4'-P energy: -96.667
tors. eta vs tors. theta energy: -214.371
Dist. restrs. and SS energy: 7.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2397.432597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.432597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.992113 (E_RNA)
where:
Base-Base interactions energy: -1689.824
where: short stacking energy: -698.631
Base-Backbone interact. energy: -3.042
local terms energy: -717.126195
where:
bonds (distance) C4'-P energy: -135.395
bonds (distance) P-C4' energy: -127.960
flat angles C4'-P-C4' energy: -151.478
flat angles P-C4'-P energy: -90.437
tors. eta vs tors. theta energy: -211.857
Dist. restrs. and SS energy: 12.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2297.770478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.770478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.763272 (E_RNA)
where:
Base-Base interactions energy: -1608.922
where: short stacking energy: -673.238
Base-Backbone interact. energy: -2.604
local terms energy: -693.236711
where:
bonds (distance) C4'-P energy: -122.441
bonds (distance) P-C4' energy: -128.337
flat angles C4'-P-C4' energy: -150.464
flat angles P-C4'-P energy: -105.481
tors. eta vs tors. theta energy: -186.514
Dist. restrs. and SS energy: 6.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2277.002472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.002472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.981543 (E_RNA)
where:
Base-Base interactions energy: -1624.602
where: short stacking energy: -675.632
Base-Backbone interact. energy: 0.017
local terms energy: -669.396939
where:
bonds (distance) C4'-P energy: -134.846
bonds (distance) P-C4' energy: -118.619
flat angles C4'-P-C4' energy: -130.277
flat angles P-C4'-P energy: -98.178
tors. eta vs tors. theta energy: -187.478
Dist. restrs. and SS energy: 16.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2171.539403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.539403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.746482 (E_RNA)
where:
Base-Base interactions energy: -1521.059
where: short stacking energy: -628.854
Base-Backbone interact. energy: 1.421
local terms energy: -674.108140
where:
bonds (distance) C4'-P energy: -119.513
bonds (distance) P-C4' energy: -125.612
flat angles C4'-P-C4' energy: -144.457
flat angles P-C4'-P energy: -93.492
tors. eta vs tors. theta energy: -191.034
Dist. restrs. and SS energy: 22.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2014.763011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.763011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.577210 (E_RNA)
where:
Base-Base interactions energy: -1424.953
where: short stacking energy: -609.361
Base-Backbone interact. energy: -2.608
local terms energy: -605.015689
where:
bonds (distance) C4'-P energy: -112.293
bonds (distance) P-C4' energy: -109.983
flat angles C4'-P-C4' energy: -144.899
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -155.588
Dist. restrs. and SS energy: 17.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1924.442790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.442790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.141962 (E_RNA)
where:
Base-Base interactions energy: -1339.685
where: short stacking energy: -543.231
Base-Backbone interact. energy: -3.816
local terms energy: -609.640852
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -116.648
flat angles C4'-P-C4' energy: -138.085
flat angles P-C4'-P energy: -84.527
tors. eta vs tors. theta energy: -165.321
Dist. restrs. and SS energy: 28.699 (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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1761.978312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.978312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.909840 (E_RNA)
where:
Base-Base interactions energy: -1250.292
where: short stacking energy: -524.655
Base-Backbone interact. energy: 0.651
local terms energy: -557.269027
where:
bonds (distance) C4'-P energy: -89.845
bonds (distance) P-C4' energy: -119.896
flat angles C4'-P-C4' energy: -140.987
flat angles P-C4'-P energy: -67.066
tors. eta vs tors. theta energy: -139.474
Dist. restrs. and SS energy: 44.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2598.214525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.620244 (E_RNA)
where:
Base-Base interactions energy: -1801.802
where: short stacking energy: -762.052
Base-Backbone interact. energy: -3.022
local terms energy: -803.795589
where:
bonds (distance) C4'-P energy: -137.553
bonds (distance) P-C4' energy: -148.138
flat angles C4'-P-C4' energy: -169.035
flat angles P-C4'-P energy: -118.968
tors. eta vs tors. theta energy: -230.103
Dist. restrs. and SS energy: 10.406 (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: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2570.228666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.228666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.355537 (E_RNA)
where:
Base-Base interactions energy: -1795.716
where: short stacking energy: -759.887
Base-Backbone interact. energy: -3.622
local terms energy: -781.018221
where:
bonds (distance) C4'-P energy: -143.210
bonds (distance) P-C4' energy: -149.131
flat angles C4'-P-C4' energy: -165.753
flat angles P-C4'-P energy: -95.272
tors. eta vs tors. theta energy: -227.652
Dist. restrs. and SS energy: 10.127 (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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2458.450551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.450551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.463422 (E_RNA)
where:
Base-Base interactions energy: -1711.147
where: short stacking energy: -708.458
Base-Backbone interact. energy: -2.434
local terms energy: -750.881870
where:
bonds (distance) C4'-P energy: -139.181
bonds (distance) P-C4' energy: -150.880
flat angles C4'-P-C4' energy: -155.317
flat angles P-C4'-P energy: -93.418
tors. eta vs tors. theta energy: -212.085
Dist. restrs. and SS energy: 6.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2348.836840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.836840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.965270 (E_RNA)
where:
Base-Base interactions energy: -1620.082
where: short stacking energy: -686.944
Base-Backbone interact. energy: -2.825
local terms energy: -738.057554
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -154.815
flat angles C4'-P-C4' energy: -146.459
flat angles P-C4'-P energy: -101.854
tors. eta vs tors. theta energy: -203.116
Dist. restrs. and SS energy: 12.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2322.910635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.910635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.895391 (E_RNA)
where:
Base-Base interactions energy: -1613.988
where: short stacking energy: -680.980
Base-Backbone interact. energy: -0.804
local terms energy: -726.102729
where:
bonds (distance) C4'-P energy: -123.014
bonds (distance) P-C4' energy: -140.023
flat angles C4'-P-C4' energy: -152.094
flat angles P-C4'-P energy: -111.641
tors. eta vs tors. theta energy: -199.330
Dist. restrs. and SS energy: 17.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2273.933092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.933092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.049593 (E_RNA)
where:
Base-Base interactions energy: -1614.135
where: short stacking energy: -688.863
Base-Backbone interact. energy: 3.222
local terms energy: -678.136894
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -119.944
flat angles C4'-P-C4' energy: -141.962
flat angles P-C4'-P energy: -102.878
tors. eta vs tors. theta energy: -191.884
Dist. restrs. and SS energy: 15.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2138.190545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.741646 (E_RNA)
where:
Base-Base interactions energy: -1500.053
where: short stacking energy: -629.145
Base-Backbone interact. energy: 2.926
local terms energy: -662.615188
where:
bonds (distance) C4'-P energy: -123.078
bonds (distance) P-C4' energy: -127.980
flat angles C4'-P-C4' energy: -143.321
flat angles P-C4'-P energy: -86.585
tors. eta vs tors. theta energy: -181.651
Dist. restrs. and SS energy: 21.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2028.433857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.433857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.725926 (E_RNA)
where:
Base-Base interactions energy: -1415.832
where: short stacking energy: -566.469
Base-Backbone interact. energy: 1.987
local terms energy: -631.880952
where:
bonds (distance) C4'-P energy: -122.761
bonds (distance) P-C4' energy: -123.859
flat angles C4'-P-C4' energy: -129.333
flat angles P-C4'-P energy: -91.559
tors. eta vs tors. theta energy: -164.369
Dist. restrs. and SS energy: 17.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1903.052963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.052963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.453492 (E_RNA)
where:
Base-Base interactions energy: -1361.947
where: short stacking energy: -563.299
Base-Backbone interact. energy: -1.781
local terms energy: -556.725070
where:
bonds (distance) C4'-P energy: -99.537
bonds (distance) P-C4' energy: -105.482
flat angles C4'-P-C4' energy: -123.925
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -164.539
Dist. restrs. and SS energy: 17.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1760.156492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.156492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.282897 (E_RNA)
where:
Base-Base interactions energy: -1231.630
where: short stacking energy: -516.634
Base-Backbone interact. energy: 0.276
local terms energy: -559.928764
where:
bonds (distance) C4'-P energy: -104.893
bonds (distance) P-C4' energy: -122.846
flat angles C4'-P-C4' energy: -130.018
flat angles P-C4'-P energy: -73.640
tors. eta vs tors. theta energy: -128.531
Dist. restrs. and SS energy: 31.126 (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: 42
Temperature: 0.900000
Total energy: -2616.141490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.141490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.439470 (E_RNA)
where:
Base-Base interactions energy: -1837.512
where: short stacking energy: -761.091
Base-Backbone interact. energy: -2.499
local terms energy: -785.428345
where:
bonds (distance) C4'-P energy: -145.387
bonds (distance) P-C4' energy: -142.074
flat angles C4'-P-C4' energy: -157.658
flat angles P-C4'-P energy: -117.593
tors. eta vs tors. theta energy: -222.716
Dist. restrs. and SS energy: 9.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2552.275943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.275943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.315689 (E_RNA)
where:
Base-Base interactions energy: -1794.343
where: short stacking energy: -731.549
Base-Backbone interact. energy: -4.056
local terms energy: -759.916644
where:
bonds (distance) C4'-P energy: -146.179
bonds (distance) P-C4' energy: -134.205
flat angles C4'-P-C4' energy: -158.320
flat angles P-C4'-P energy: -104.905
tors. eta vs tors. theta energy: -216.308
Dist. restrs. and SS energy: 6.040 (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: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2427.185037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.185037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.707053 (E_RNA)
where:
Base-Base interactions energy: -1670.565
where: short stacking energy: -702.001
Base-Backbone interact. energy: -3.053
local terms energy: -766.089258
where:
bonds (distance) C4'-P energy: -161.514
bonds (distance) P-C4' energy: -138.305
flat angles C4'-P-C4' energy: -158.934
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -206.285
Dist. restrs. and SS energy: 12.522 (S_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: 42
Temperature: 1.050000
Total energy: -2331.188678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.188678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.611627 (E_RNA)
where:
Base-Base interactions energy: -1611.414
where: short stacking energy: -679.358
Base-Backbone interact. energy: -0.453
local terms energy: -730.744784
where:
bonds (distance) C4'-P energy: -144.146
bonds (distance) P-C4' energy: -136.330
flat angles C4'-P-C4' energy: -154.833
flat angles P-C4'-P energy: -93.917
tors. eta vs tors. theta energy: -201.519
Dist. restrs. and SS energy: 11.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2349.395030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.395030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.815276 (E_RNA)
where:
Base-Base interactions energy: -1656.750
where: short stacking energy: -679.165
Base-Backbone interact. energy: 1.266
local terms energy: -705.330730
where:
bonds (distance) C4'-P energy: -126.361
bonds (distance) P-C4' energy: -130.956
flat angles C4'-P-C4' energy: -147.422
flat angles P-C4'-P energy: -103.087
tors. eta vs tors. theta energy: -197.505
Dist. restrs. and SS energy: 11.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2271.199536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.199536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.387616 (E_RNA)
where:
Base-Base interactions energy: -1590.295
where: short stacking energy: -658.902
Base-Backbone interact. energy: -3.574
local terms energy: -689.519134
where:
bonds (distance) C4'-P energy: -131.962
bonds (distance) P-C4' energy: -123.572
flat angles C4'-P-C4' energy: -150.120
flat angles P-C4'-P energy: -86.145
tors. eta vs tors. theta energy: -197.719
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: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2130.123258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.123258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.348053 (E_RNA)
where:
Base-Base interactions energy: -1465.762
where: short stacking energy: -609.452
Base-Backbone interact. energy: -2.572
local terms energy: -683.014178
where:
bonds (distance) C4'-P energy: -122.563
bonds (distance) P-C4' energy: -135.795
flat angles C4'-P-C4' energy: -157.135
flat angles P-C4'-P energy: -92.173
tors. eta vs tors. theta energy: -175.348
Dist. restrs. and SS energy: 21.225 (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: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2018.692686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.692686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.736161 (E_RNA)
where:
Base-Base interactions energy: -1421.534
where: short stacking energy: -577.470
Base-Backbone interact. energy: -1.840
local terms energy: -609.361329
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -129.849
flat angles C4'-P-C4' energy: -127.771
flat angles P-C4'-P energy: -86.443
tors. eta vs tors. theta energy: -137.049
Dist. restrs. and SS energy: 14.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1903.458670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.458670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.500253 (E_RNA)
where:
Base-Base interactions energy: -1342.367
where: short stacking energy: -550.808
Base-Backbone interact. energy: -1.218
local terms energy: -581.915693
where:
bonds (distance) C4'-P energy: -106.985
bonds (distance) P-C4' energy: -114.188
flat angles C4'-P-C4' energy: -123.441
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: -172.593
Dist. restrs. and SS energy: 22.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1787.890997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.890997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.731122 (E_RNA)
where:
Base-Base interactions energy: -1239.587
where: short stacking energy: -539.467
Base-Backbone interact. energy: -4.878
local terms energy: -580.266623
where:
bonds (distance) C4'-P energy: -80.842
bonds (distance) P-C4' energy: -128.506
flat angles C4'-P-C4' energy: -126.729
flat angles P-C4'-P energy: -83.350
tors. eta vs tors. theta energy: -160.840
Dist. restrs. and SS energy: 36.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2604.109394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.109394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.223641 (E_RNA)
where:
Base-Base interactions energy: -1832.643
where: short stacking energy: -770.454
Base-Backbone interact. energy: 0.514
local terms energy: -780.094629
where:
bonds (distance) C4'-P energy: -152.844
bonds (distance) P-C4' energy: -131.061
flat angles C4'-P-C4' energy: -162.485
flat angles P-C4'-P energy: -112.766
tors. eta vs tors. theta energy: -220.937
Dist. restrs. and SS energy: 8.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2539.000024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.000024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.422997 (E_RNA)
where:
Base-Base interactions energy: -1766.704
where: short stacking energy: -736.554
Base-Backbone interact. energy: -0.206
local terms energy: -782.512867
where:
bonds (distance) C4'-P energy: -154.937
bonds (distance) P-C4' energy: -155.616
flat angles C4'-P-C4' energy: -141.591
flat angles P-C4'-P energy: -117.156
tors. eta vs tors. theta energy: -213.213
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2454.261261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.261261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.893467 (E_RNA)
where:
Base-Base interactions energy: -1704.480
where: short stacking energy: -730.401
Base-Backbone interact. energy: -2.603
local terms energy: -758.810615
where:
bonds (distance) C4'-P energy: -134.705
bonds (distance) P-C4' energy: -147.703
flat angles C4'-P-C4' energy: -167.436
flat angles P-C4'-P energy: -91.087
tors. eta vs tors. theta energy: -217.879
Dist. restrs. and SS energy: 11.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2371.453648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.453648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.485334 (E_RNA)
where:
Base-Base interactions energy: -1652.716
where: short stacking energy: -714.250
Base-Backbone interact. energy: -2.640
local terms energy: -728.129881
where:
bonds (distance) C4'-P energy: -129.990
bonds (distance) P-C4' energy: -129.743
flat angles C4'-P-C4' energy: -155.661
flat angles P-C4'-P energy: -103.922
tors. eta vs tors. theta energy: -208.814
Dist. restrs. and SS energy: 12.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2326.317249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.317249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.529297 (E_RNA)
where:
Base-Base interactions energy: -1621.188
where: short stacking energy: -680.990
Base-Backbone interact. energy: -1.467
local terms energy: -716.874065
where:
bonds (distance) C4'-P energy: -139.130
bonds (distance) P-C4' energy: -127.767
flat angles C4'-P-C4' energy: -150.966
flat angles P-C4'-P energy: -94.319
tors. eta vs tors. theta energy: -204.692
Dist. restrs. and SS energy: 13.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2237.062764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.062764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.529446 (E_RNA)
where:
Base-Base interactions energy: -1576.409
where: short stacking energy: -685.872
Base-Backbone interact. energy: -1.633
local terms energy: -674.487863
where:
bonds (distance) C4'-P energy: -118.847
bonds (distance) P-C4' energy: -137.409
flat angles C4'-P-C4' energy: -140.096
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -199.232
Dist. restrs. and SS energy: 15.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2131.440601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.440601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.791033 (E_RNA)
where:
Base-Base interactions energy: -1477.255
where: short stacking energy: -618.251
Base-Backbone interact. energy: -2.459
local terms energy: -669.077501
where:
bonds (distance) C4'-P energy: -104.585
bonds (distance) P-C4' energy: -148.664
flat angles C4'-P-C4' energy: -149.951
flat angles P-C4'-P energy: -87.493
tors. eta vs tors. theta energy: -178.384
Dist. restrs. and SS energy: 17.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2030.271536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.271536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.614688 (E_RNA)
where:
Base-Base interactions energy: -1439.368
where: short stacking energy: -583.991
Base-Backbone interact. energy: -1.432
local terms energy: -614.815336
where:
bonds (distance) C4'-P energy: -109.565
bonds (distance) P-C4' energy: -142.259
flat angles C4'-P-C4' energy: -136.299
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -157.913
Dist. restrs. and SS energy: 25.343 (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: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1957.706904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.706904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.550179 (E_RNA)
where:
Base-Base interactions energy: -1375.244
where: short stacking energy: -566.956
Base-Backbone interact. energy: -1.692
local terms energy: -598.614204
where:
bonds (distance) C4'-P energy: -108.407
bonds (distance) P-C4' energy: -113.911
flat angles C4'-P-C4' energy: -130.377
flat angles P-C4'-P energy: -78.389
tors. eta vs tors. theta energy: -167.530
Dist. restrs. and SS energy: 17.843 (S_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: 43
Temperature: 1.350000
Total energy: -1790.996536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.996536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.637826 (E_RNA)
where:
Base-Base interactions energy: -1252.412
where: short stacking energy: -508.747
Base-Backbone interact. energy: -2.050
local terms energy: -561.176566
where:
bonds (distance) C4'-P energy: -114.654
bonds (distance) P-C4' energy: -109.721
flat angles C4'-P-C4' energy: -123.078
flat angles P-C4'-P energy: -84.351
tors. eta vs tors. theta energy: -129.372
Dist. restrs. and SS energy: 24.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2611.347038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.347038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.254126 (E_RNA)
where:
Base-Base interactions energy: -1858.878
where: short stacking energy: -753.543
Base-Backbone interact. energy: -2.200
local terms energy: -755.177072
where:
bonds (distance) C4'-P energy: -127.941
bonds (distance) P-C4' energy: -136.122
flat angles C4'-P-C4' energy: -166.096
flat angles P-C4'-P energy: -107.507
tors. eta vs tors. theta energy: -217.511
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2567.051461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.051461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.920581 (E_RNA)
where:
Base-Base interactions energy: -1795.197
where: short stacking energy: -772.670
Base-Backbone interact. energy: -1.811
local terms energy: -779.913083
where:
bonds (distance) C4'-P energy: -145.240
bonds (distance) P-C4' energy: -149.699
flat angles C4'-P-C4' energy: -152.656
flat angles P-C4'-P energy: -108.988
tors. eta vs tors. theta energy: -223.330
Dist. restrs. and SS energy: 9.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2437.129946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.129946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.962274 (E_RNA)
where:
Base-Base interactions energy: -1692.869
where: short stacking energy: -718.407
Base-Backbone interact. energy: -0.881
local terms energy: -754.211892
where:
bonds (distance) C4'-P energy: -138.713
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -159.943
flat angles P-C4'-P energy: -100.280
tors. eta vs tors. theta energy: -220.380
Dist. restrs. and SS energy: 10.832 (S_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: 44
Temperature: 1.050000
Total energy: -2354.438586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.438586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.085388 (E_RNA)
where:
Base-Base interactions energy: -1642.536
where: short stacking energy: -678.798
Base-Backbone interact. energy: -5.367
local terms energy: -715.182413
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -139.362
flat angles C4'-P-C4' energy: -157.566
flat angles P-C4'-P energy: -100.001
tors. eta vs tors. theta energy: -197.102
Dist. restrs. and SS energy: 8.647 (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: 44
Temperature: 1.100000
Total energy: -2319.246543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.246543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.527417 (E_RNA)
where:
Base-Base interactions energy: -1613.494
where: short stacking energy: -687.466
Base-Backbone interact. energy: -0.675
local terms energy: -717.358827
where:
bonds (distance) C4'-P energy: -134.518
bonds (distance) P-C4' energy: -148.257
flat angles C4'-P-C4' energy: -141.907
flat angles P-C4'-P energy: -99.694
tors. eta vs tors. theta energy: -192.982
Dist. restrs. and SS energy: 12.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2232.836954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.836954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.651892 (E_RNA)
where:
Base-Base interactions energy: -1562.765
where: short stacking energy: -647.758
Base-Backbone interact. energy: -4.628
local terms energy: -677.258038
where:
bonds (distance) C4'-P energy: -139.489
bonds (distance) P-C4' energy: -118.865
flat angles C4'-P-C4' energy: -144.091
flat angles P-C4'-P energy: -82.447
tors. eta vs tors. theta energy: -192.367
Dist. restrs. and SS energy: 11.815 (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: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2139.396665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.396665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.818013 (E_RNA)
where:
Base-Base interactions energy: -1508.541
where: short stacking energy: -621.988
Base-Backbone interact. energy: 1.041
local terms energy: -657.318919
where:
bonds (distance) C4'-P energy: -114.712
bonds (distance) P-C4' energy: -120.739
flat angles C4'-P-C4' energy: -158.204
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -183.203
Dist. restrs. and SS energy: 25.421 (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: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2007.674908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.674908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.253449 (E_RNA)
where:
Base-Base interactions energy: -1431.307
where: short stacking energy: -583.546
Base-Backbone interact. energy: 2.023
local terms energy: -603.970129
where:
bonds (distance) C4'-P energy: -99.451
bonds (distance) P-C4' energy: -126.762
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -75.399
tors. eta vs tors. theta energy: -151.680
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: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1997.151977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.151977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.500597 (E_RNA)
where:
Base-Base interactions energy: -1420.430
where: short stacking energy: -576.078
Base-Backbone interact. energy: 5.068
local terms energy: -595.138227
where:
bonds (distance) C4'-P energy: -100.989
bonds (distance) P-C4' energy: -112.353
flat angles C4'-P-C4' energy: -139.497
flat angles P-C4'-P energy: -73.851
tors. eta vs tors. theta energy: -168.447
Dist. restrs. and SS energy: 13.349 (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: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1770.859065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.859065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.728592 (E_RNA)
where:
Base-Base interactions energy: -1221.957
where: short stacking energy: -522.127
Base-Backbone interact. energy: -3.708
local terms energy: -572.064174
where:
bonds (distance) C4'-P energy: -115.567
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -126.702
flat angles P-C4'-P energy: -73.678
tors. eta vs tors. theta energy: -143.451
Dist. restrs. and SS energy: 26.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2606.217163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.217163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.658096 (E_RNA)
where:
Base-Base interactions energy: -1859.460
where: short stacking energy: -745.762
Base-Backbone interact. energy: -1.070
local terms energy: -748.128186
where:
bonds (distance) C4'-P energy: -152.298
bonds (distance) P-C4' energy: -129.355
flat angles C4'-P-C4' energy: -150.266
flat angles P-C4'-P energy: -101.944
tors. eta vs tors. theta energy: -214.266
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2554.819555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.819555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.044056 (E_RNA)
where:
Base-Base interactions energy: -1769.895
where: short stacking energy: -753.034
Base-Backbone interact. energy: 5.144
local terms energy: -800.293538
where:
bonds (distance) C4'-P energy: -130.503
bonds (distance) P-C4' energy: -154.711
flat angles C4'-P-C4' energy: -175.892
flat angles P-C4'-P energy: -123.403
tors. eta vs tors. theta energy: -215.785
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: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2475.824111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.824111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.367628 (E_RNA)
where:
Base-Base interactions energy: -1745.195
where: short stacking energy: -736.734
Base-Backbone interact. energy: 0.048
local terms energy: -741.220204
where:
bonds (distance) C4'-P energy: -133.507
bonds (distance) P-C4' energy: -137.970
flat angles C4'-P-C4' energy: -159.922
flat angles P-C4'-P energy: -92.054
tors. eta vs tors. theta energy: -217.767
Dist. restrs. and SS energy: 10.544 (S_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: 45
Temperature: 1.050000
Total energy: -2355.858606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.858606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.081862 (E_RNA)
where:
Base-Base interactions energy: -1645.654
where: short stacking energy: -680.031
Base-Backbone interact. energy: 0.993
local terms energy: -722.421183
where:
bonds (distance) C4'-P energy: -139.414
bonds (distance) P-C4' energy: -136.235
flat angles C4'-P-C4' energy: -145.437
flat angles P-C4'-P energy: -102.297
tors. eta vs tors. theta energy: -199.038
Dist. restrs. and SS energy: 11.223 (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: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2255.839749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.839749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.907925 (E_RNA)
where:
Base-Base interactions energy: -1570.936
where: short stacking energy: -647.649
Base-Backbone interact. energy: -1.520
local terms energy: -698.451633
where:
bonds (distance) C4'-P energy: -130.361
bonds (distance) P-C4' energy: -136.059
flat angles C4'-P-C4' energy: -156.796
flat angles P-C4'-P energy: -97.357
tors. eta vs tors. theta energy: -177.879
Dist. restrs. and SS energy: 15.068 (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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2269.884837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.884837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.505528 (E_RNA)
where:
Base-Base interactions energy: -1583.570
where: short stacking energy: -663.279
Base-Backbone interact. energy: -3.975
local terms energy: -699.959723
where:
bonds (distance) C4'-P energy: -135.332
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -153.440
flat angles P-C4'-P energy: -92.697
tors. eta vs tors. theta energy: -194.902
Dist. restrs. and SS energy: 17.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2134.241289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.241289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.493668 (E_RNA)
where:
Base-Base interactions energy: -1511.070
where: short stacking energy: -643.859
Base-Backbone interact. energy: -2.119
local terms energy: -640.304871
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -145.589
flat angles C4'-P-C4' energy: -139.741
flat angles P-C4'-P energy: -88.520
tors. eta vs tors. theta energy: -176.659
Dist. restrs. and SS energy: 19.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2094.561361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.561361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.884978 (E_RNA)
where:
Base-Base interactions energy: -1489.713
where: short stacking energy: -623.756
Base-Backbone interact. energy: -5.056
local terms energy: -612.115400
where:
bonds (distance) C4'-P energy: -103.738
bonds (distance) P-C4' energy: -107.349
flat angles C4'-P-C4' energy: -141.112
flat angles P-C4'-P energy: -85.151
tors. eta vs tors. theta energy: -174.764
Dist. restrs. and SS energy: 12.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1951.318317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.318317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.672141 (E_RNA)
where:
Base-Base interactions energy: -1349.033
where: short stacking energy: -562.546
Base-Backbone interact. energy: -2.010
local terms energy: -625.628847
where:
bonds (distance) C4'-P energy: -105.822
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -135.939
flat angles P-C4'-P energy: -91.647
tors. eta vs tors. theta energy: -167.703
Dist. restrs. and SS energy: 25.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1808.804286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.804286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.172976 (E_RNA)
where:
Base-Base interactions energy: -1286.278
where: short stacking energy: -516.075
Base-Backbone interact. energy: 0.618
local terms energy: -546.513568
where:
bonds (distance) C4'-P energy: -96.538
bonds (distance) P-C4' energy: -124.281
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -134.256
Dist. restrs. and SS energy: 23.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2616.651643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.651643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.359596 (E_RNA)
where:
Base-Base interactions energy: -1824.068
where: short stacking energy: -760.837
Base-Backbone interact. energy: -5.222
local terms energy: -794.069277
where:
bonds (distance) C4'-P energy: -148.781
bonds (distance) P-C4' energy: -146.223
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -109.894
tors. eta vs tors. theta energy: -227.506
Dist. restrs. and SS energy: 6.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2537.351028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.351028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.621157 (E_RNA)
where:
Base-Base interactions energy: -1762.359
where: short stacking energy: -751.921
Base-Backbone interact. energy: -0.546
local terms energy: -785.715732
where:
bonds (distance) C4'-P energy: -141.087
bonds (distance) P-C4' energy: -147.757
flat angles C4'-P-C4' energy: -164.376
flat angles P-C4'-P energy: -110.320
tors. eta vs tors. theta energy: -222.176
Dist. restrs. and SS energy: 11.270 (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: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2442.461844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.461844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.249523 (E_RNA)
where:
Base-Base interactions energy: -1699.654
where: short stacking energy: -699.327
Base-Backbone interact. energy: -3.093
local terms energy: -758.502615
where:
bonds (distance) C4'-P energy: -130.940
bonds (distance) P-C4' energy: -144.284
flat angles C4'-P-C4' energy: -159.218
flat angles P-C4'-P energy: -112.455
tors. eta vs tors. theta energy: -211.606
Dist. restrs. and SS energy: 18.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2383.503510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.503510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.243542 (E_RNA)
where:
Base-Base interactions energy: -1664.360
where: short stacking energy: -672.043
Base-Backbone interact. energy: -2.912
local terms energy: -721.971818
where:
bonds (distance) C4'-P energy: -131.221
bonds (distance) P-C4' energy: -130.556
flat angles C4'-P-C4' energy: -148.384
flat angles P-C4'-P energy: -112.623
tors. eta vs tors. theta energy: -199.187
Dist. restrs. and SS energy: 5.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2318.237768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.237768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.462962 (E_RNA)
where:
Base-Base interactions energy: -1641.770
where: short stacking energy: -691.478
Base-Backbone interact. energy: -1.541
local terms energy: -681.151995
where:
bonds (distance) C4'-P energy: -119.905
bonds (distance) P-C4' energy: -128.076
flat angles C4'-P-C4' energy: -137.049
flat angles P-C4'-P energy: -91.286
tors. eta vs tors. theta energy: -204.836
Dist. restrs. and SS energy: 6.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2208.776601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.776601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.090276 (E_RNA)
where:
Base-Base interactions energy: -1554.118
where: short stacking energy: -654.456
Base-Backbone interact. energy: -2.263
local terms energy: -675.709098
where:
bonds (distance) C4'-P energy: -113.671
bonds (distance) P-C4' energy: -118.188
flat angles C4'-P-C4' energy: -158.585
flat angles P-C4'-P energy: -88.592
tors. eta vs tors. theta energy: -196.674
Dist. restrs. and SS energy: 23.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2165.819477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.819477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.185862 (E_RNA)
where:
Base-Base interactions energy: -1494.339
where: short stacking energy: -630.894
Base-Backbone interact. energy: -3.882
local terms energy: -677.964482
where:
bonds (distance) C4'-P energy: -125.169
bonds (distance) P-C4' energy: -138.865
flat angles C4'-P-C4' energy: -143.394
flat angles P-C4'-P energy: -79.523
tors. eta vs tors. theta energy: -191.013
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: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2092.631778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.631778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.022305 (E_RNA)
where:
Base-Base interactions energy: -1455.970
where: short stacking energy: -615.824
Base-Backbone interact. energy: 0.196
local terms energy: -655.248850
where:
bonds (distance) C4'-P energy: -126.507
bonds (distance) P-C4' energy: -111.160
flat angles C4'-P-C4' energy: -145.634
flat angles P-C4'-P energy: -91.234
tors. eta vs tors. theta energy: -180.714
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -2011.303162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.303162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.380671 (E_RNA)
where:
Base-Base interactions energy: -1426.495
where: short stacking energy: -590.210
Base-Backbone interact. energy: -1.801
local terms energy: -609.085151
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -114.474
flat angles C4'-P-C4' energy: -123.414
flat angles P-C4'-P energy: -90.192
tors. eta vs tors. theta energy: -157.803
Dist. restrs. and SS energy: 26.078 (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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1888.028102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.028102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.933727 (E_RNA)
where:
Base-Base interactions energy: -1323.566
where: short stacking energy: -536.656
Base-Backbone interact. energy: -1.125
local terms energy: -581.242708
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -111.822
flat angles C4'-P-C4' energy: -136.966
flat angles P-C4'-P energy: -78.679
tors. eta vs tors. theta energy: -143.427
Dist. restrs. and SS energy: 17.906 (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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2644.147915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.147915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.260540 (E_RNA)
where:
Base-Base interactions energy: -1839.363
where: short stacking energy: -773.860
Base-Backbone interact. energy: -2.256
local terms energy: -807.641822
where:
bonds (distance) C4'-P energy: -141.889
bonds (distance) P-C4' energy: -163.886
flat angles C4'-P-C4' energy: -167.499
flat angles P-C4'-P energy: -115.934
tors. eta vs tors. theta energy: -218.434
Dist. restrs. and SS energy: 5.113 (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: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2569.269346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.269346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.678140 (E_RNA)
where:
Base-Base interactions energy: -1800.488
where: short stacking energy: -748.670
Base-Backbone interact. energy: -5.565
local terms energy: -770.625272
where:
bonds (distance) C4'-P energy: -145.718
bonds (distance) P-C4' energy: -146.057
flat angles C4'-P-C4' energy: -163.200
flat angles P-C4'-P energy: -99.400
tors. eta vs tors. theta energy: -216.252
Dist. restrs. and SS energy: 7.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2473.907743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.907743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.480965 (E_RNA)
where:
Base-Base interactions energy: -1732.232
where: short stacking energy: -717.817
Base-Backbone interact. energy: -1.735
local terms energy: -750.513673
where:
bonds (distance) C4'-P energy: -139.612
bonds (distance) P-C4' energy: -142.776
flat angles C4'-P-C4' energy: -157.300
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -215.041
Dist. restrs. and SS energy: 10.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2397.217238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.217238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.912576 (E_RNA)
where:
Base-Base interactions energy: -1670.479
where: short stacking energy: -710.251
Base-Backbone interact. energy: 1.256
local terms energy: -736.689313
where:
bonds (distance) C4'-P energy: -137.670
bonds (distance) P-C4' energy: -135.801
flat angles C4'-P-C4' energy: -164.392
flat angles P-C4'-P energy: -97.958
tors. eta vs tors. theta energy: -200.868
Dist. restrs. and SS energy: 8.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2370.649761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.649761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.815608 (E_RNA)
where:
Base-Base interactions energy: -1672.373
where: short stacking energy: -711.249
Base-Backbone interact. energy: 1.622
local terms energy: -710.064708
where:
bonds (distance) C4'-P energy: -108.339
bonds (distance) P-C4' energy: -132.186
flat angles C4'-P-C4' energy: -146.220
flat angles P-C4'-P energy: -104.360
tors. eta vs tors. theta energy: -218.960
Dist. restrs. and SS energy: 10.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2212.911602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.911602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.217965 (E_RNA)
where:
Base-Base interactions energy: -1553.748
where: short stacking energy: -636.840
Base-Backbone interact. energy: -0.839
local terms energy: -673.631121
where:
bonds (distance) C4'-P energy: -129.626
bonds (distance) P-C4' energy: -113.966
flat angles C4'-P-C4' energy: -138.568
flat angles P-C4'-P energy: -99.762
tors. eta vs tors. theta energy: -191.709
Dist. restrs. and SS energy: 15.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2160.763878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.216886 (E_RNA)
where:
Base-Base interactions energy: -1549.782
where: short stacking energy: -631.535
Base-Backbone interact. energy: 1.776
local terms energy: -625.210094
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -148.281
flat angles P-C4'-P energy: -81.217
tors. eta vs tors. theta energy: -172.379
Dist. restrs. and SS energy: 12.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -2141.483538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.483538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.465451 (E_RNA)
where:
Base-Base interactions energy: -1502.970
where: short stacking energy: -651.734
Base-Backbone interact. energy: -3.005
local terms energy: -656.489829
where:
bonds (distance) C4'-P energy: -117.721
bonds (distance) P-C4' energy: -111.487
flat angles C4'-P-C4' energy: -140.179
flat angles P-C4'-P energy: -90.508
tors. eta vs tors. theta energy: -196.595
Dist. restrs. and SS energy: 20.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -2042.757207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.757207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.023819 (E_RNA)
where:
Base-Base interactions energy: -1458.785
where: short stacking energy: -608.378
Base-Backbone interact. energy: 0.311
local terms energy: -598.549471
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -100.472
flat angles C4'-P-C4' energy: -138.653
flat angles P-C4'-P energy: -83.931
tors. eta vs tors. theta energy: -169.610
Dist. restrs. and SS energy: 14.267 (S_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: 47
Temperature: 1.350000
Total energy: -1889.920597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.920597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.757101 (E_RNA)
where:
Base-Base interactions energy: -1305.649
where: short stacking energy: -558.909
Base-Backbone interact. energy: -2.298
local terms energy: -610.809704
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -124.854
flat angles C4'-P-C4' energy: -137.576
flat angles P-C4'-P energy: -87.215
tors. eta vs tors. theta energy: -165.441
Dist. restrs. and SS energy: 28.837 (S_DIST_RNA)
chem. 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: -2636.214563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.214563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.871249 (E_RNA)
where:
Base-Base interactions energy: -1825.995
where: short stacking energy: -772.464
Base-Backbone interact. energy: -1.838
local terms energy: -814.038557
where:
bonds (distance) C4'-P energy: -133.373
bonds (distance) P-C4' energy: -159.301
flat angles C4'-P-C4' energy: -174.615
flat angles P-C4'-P energy: -121.475
tors. eta vs tors. theta energy: -225.275
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2563.790207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.790207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.205819 (E_RNA)
where:
Base-Base interactions energy: -1806.807
where: short stacking energy: -746.247
Base-Backbone interact. energy: -2.117
local terms energy: -763.282182
where:
bonds (distance) C4'-P energy: -120.788
bonds (distance) P-C4' energy: -153.186
flat angles C4'-P-C4' energy: -151.783
flat angles P-C4'-P energy: -117.132
tors. eta vs tors. theta energy: -220.392
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: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2483.611046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.611046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.731014 (E_RNA)
where:
Base-Base interactions energy: -1749.940
where: short stacking energy: -721.625
Base-Backbone interact. energy: 0.296
local terms energy: -745.086914
where:
bonds (distance) C4'-P energy: -124.234
bonds (distance) P-C4' energy: -132.236
flat angles C4'-P-C4' energy: -161.451
flat angles P-C4'-P energy: -111.047
tors. eta vs tors. theta energy: -216.119
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: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2417.629402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.629402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.513372 (E_RNA)
where:
Base-Base interactions energy: -1676.406
where: short stacking energy: -718.350
Base-Backbone interact. energy: -2.436
local terms energy: -749.671491
where:
bonds (distance) C4'-P energy: -129.361
bonds (distance) P-C4' energy: -146.263
flat angles C4'-P-C4' energy: -145.333
flat angles P-C4'-P energy: -114.160
tors. eta vs tors. theta energy: -214.555
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2346.203802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.203802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.014284 (E_RNA)
where:
Base-Base interactions energy: -1630.671
where: short stacking energy: -691.704
Base-Backbone interact. energy: 0.128
local terms energy: -730.471182
where:
bonds (distance) C4'-P energy: -123.457
bonds (distance) P-C4' energy: -153.731
flat angles C4'-P-C4' energy: -140.231
flat angles P-C4'-P energy: -103.001
tors. eta vs tors. theta energy: -210.051
Dist. restrs. and SS energy: 14.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2235.074244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.074244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.626679 (E_RNA)
where:
Base-Base interactions energy: -1590.954
where: short stacking energy: -687.908
Base-Backbone interact. energy: -3.021
local terms energy: -656.651020
where:
bonds (distance) C4'-P energy: -121.364
bonds (distance) P-C4' energy: -124.222
flat angles C4'-P-C4' energy: -132.142
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -200.190
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: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2137.748702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.748702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.388086 (E_RNA)
where:
Base-Base interactions energy: -1502.124
where: short stacking energy: -627.553
Base-Backbone interact. energy: -0.251
local terms energy: -652.013290
where:
bonds (distance) C4'-P energy: -123.023
bonds (distance) P-C4' energy: -110.504
flat angles C4'-P-C4' energy: -136.404
flat angles P-C4'-P energy: -93.121
tors. eta vs tors. theta energy: -188.961
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: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -2083.561818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.561818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.294622 (E_RNA)
where:
Base-Base interactions energy: -1467.468
where: short stacking energy: -617.026
Base-Backbone interact. energy: -4.187
local terms energy: -635.640427
where:
bonds (distance) C4'-P energy: -125.914
bonds (distance) P-C4' energy: -127.729
flat angles C4'-P-C4' energy: -144.661
flat angles P-C4'-P energy: -66.449
tors. eta vs tors. theta energy: -170.887
Dist. restrs. and SS energy: 23.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1995.956126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.956126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.214855 (E_RNA)
where:
Base-Base interactions energy: -1402.753
where: short stacking energy: -567.255
Base-Backbone interact. energy: -3.705
local terms energy: -606.756521
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -131.777
flat angles P-C4'-P energy: -88.593
tors. eta vs tors. theta energy: -168.743
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: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1847.051427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.051427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.313044 (E_RNA)
where:
Base-Base interactions energy: -1281.339
where: short stacking energy: -505.517
Base-Backbone interact. energy: -3.214
local terms energy: -583.760002
where:
bonds (distance) C4'-P energy: -106.814
bonds (distance) P-C4' energy: -123.985
flat angles C4'-P-C4' energy: -126.294
flat angles P-C4'-P energy: -76.623
tors. eta vs tors. theta energy: -150.045
Dist. restrs. and SS energy: 21.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2610.884308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.884308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.125547 (E_RNA)
where:
Base-Base interactions energy: -1817.020
where: short stacking energy: -742.241
Base-Backbone interact. energy: -2.959
local terms energy: -796.146255
where:
bonds (distance) C4'-P energy: -146.746
bonds (distance) P-C4' energy: -156.762
flat angles C4'-P-C4' energy: -170.306
flat angles P-C4'-P energy: -107.086
tors. eta vs tors. theta energy: -215.247
Dist. restrs. and SS energy: 5.241 (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: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2519.080884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.080884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.484860 (E_RNA)
where:
Base-Base interactions energy: -1763.982
where: short stacking energy: -744.077
Base-Backbone interact. energy: -2.734
local terms energy: -759.768884
where:
bonds (distance) C4'-P energy: -142.791
bonds (distance) P-C4' energy: -143.493
flat angles C4'-P-C4' energy: -153.225
flat angles P-C4'-P energy: -106.982
tors. eta vs tors. theta energy: -213.277
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: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2487.720467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.720467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.266029 (E_RNA)
where:
Base-Base interactions energy: -1746.208
where: short stacking energy: -759.871
Base-Backbone interact. energy: -1.875
local terms energy: -755.182912
where:
bonds (distance) C4'-P energy: -122.602
bonds (distance) P-C4' energy: -147.530
flat angles C4'-P-C4' energy: -161.718
flat angles P-C4'-P energy: -97.567
tors. eta vs tors. theta energy: -225.765
Dist. restrs. and SS energy: 15.546 (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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2442.571708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.571708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.425343 (E_RNA)
where:
Base-Base interactions energy: -1716.293
where: short stacking energy: -735.223
Base-Backbone interact. energy: -1.695
local terms energy: -731.437453
where:
bonds (distance) C4'-P energy: -140.157
bonds (distance) P-C4' energy: -130.418
flat angles C4'-P-C4' energy: -146.818
flat angles P-C4'-P energy: -101.754
tors. eta vs tors. theta energy: -212.291
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2300.397101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.397101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.040151 (E_RNA)
where:
Base-Base interactions energy: -1608.015
where: short stacking energy: -653.003
Base-Backbone interact. energy: 0.277
local terms energy: -702.302405
where:
bonds (distance) C4'-P energy: -133.468
bonds (distance) P-C4' energy: -117.816
flat angles C4'-P-C4' energy: -158.388
flat angles P-C4'-P energy: -94.954
tors. eta vs tors. theta energy: -197.676
Dist. restrs. and SS energy: 9.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2247.181571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.181571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.711703 (E_RNA)
where:
Base-Base interactions energy: -1556.766
where: short stacking energy: -668.638
Base-Backbone interact. energy: -4.706
local terms energy: -698.240325
where:
bonds (distance) C4'-P energy: -111.784
bonds (distance) P-C4' energy: -146.806
flat angles C4'-P-C4' energy: -154.833
flat angles P-C4'-P energy: -83.718
tors. eta vs tors. theta energy: -201.100
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: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2129.798360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.798360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.577570 (E_RNA)
where:
Base-Base interactions energy: -1519.598
where: short stacking energy: -639.913
Base-Backbone interact. energy: 0.340
local terms energy: -628.318995
where:
bonds (distance) C4'-P energy: -126.868
bonds (distance) P-C4' energy: -119.942
flat angles C4'-P-C4' energy: -114.077
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: -187.101
Dist. restrs. and SS energy: 17.779 (S_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: 49
Temperature: 1.250000
Total energy: -2058.846286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.846286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.371172 (E_RNA)
where:
Base-Base interactions energy: -1429.623
where: short stacking energy: -602.201
Base-Backbone interact. energy: -2.866
local terms energy: -642.882308
where:
bonds (distance) C4'-P energy: -120.570
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -142.118
flat angles P-C4'-P energy: -87.157
tors. eta vs tors. theta energy: -173.815
Dist. restrs. and SS energy: 16.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -2014.791616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.791616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.131016 (E_RNA)
where:
Base-Base interactions energy: -1417.708
where: short stacking energy: -576.976
Base-Backbone interact. energy: 6.364
local terms energy: -618.786868
where:
bonds (distance) C4'-P energy: -109.914
bonds (distance) P-C4' energy: -124.935
flat angles C4'-P-C4' energy: -129.924
flat angles P-C4'-P energy: -76.713
tors. eta vs tors. theta energy: -177.301
Dist. restrs. and SS energy: 15.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1917.386181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.386181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.271780 (E_RNA)
where:
Base-Base interactions energy: -1386.546
where: short stacking energy: -571.929
Base-Backbone interact. energy: -1.977
local terms energy: -559.748394
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -99.048
flat angles C4'-P-C4' energy: -143.497
flat angles P-C4'-P energy: -80.295
tors. eta vs tors. theta energy: -151.770
Dist. restrs. and SS energy: 30.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2616.173623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.173623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.397101 (E_RNA)
where:
Base-Base interactions energy: -1815.095
where: short stacking energy: -748.476
Base-Backbone interact. energy: -3.595
local terms energy: -802.707907
where:
bonds (distance) C4'-P energy: -151.989
bonds (distance) P-C4' energy: -143.392
flat angles C4'-P-C4' energy: -163.578
flat angles P-C4'-P energy: -115.753
tors. eta vs tors. theta energy: -227.996
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: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2546.844189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.844189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.321152 (E_RNA)
where:
Base-Base interactions energy: -1766.164
where: short stacking energy: -750.767
Base-Backbone interact. energy: -6.412
local terms energy: -781.745186
where:
bonds (distance) C4'-P energy: -149.296
bonds (distance) P-C4' energy: -144.282
flat angles C4'-P-C4' energy: -166.768
flat angles P-C4'-P energy: -102.829
tors. eta vs tors. theta energy: -218.570
Dist. restrs. and SS energy: 7.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2462.029613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.029613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.807011 (E_RNA)
where:
Base-Base interactions energy: -1728.618
where: short stacking energy: -726.536
Base-Backbone interact. energy: -2.738
local terms energy: -741.451215
where:
bonds (distance) C4'-P energy: -133.746
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -163.119
flat angles P-C4'-P energy: -100.569
tors. eta vs tors. theta energy: -206.112
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: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2433.450437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.450437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.392242 (E_RNA)
where:
Base-Base interactions energy: -1683.117
where: short stacking energy: -713.956
Base-Backbone interact. energy: -2.862
local terms energy: -757.413788
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -127.048
flat angles C4'-P-C4' energy: -158.838
flat angles P-C4'-P energy: -109.154
tors. eta vs tors. theta energy: -229.855
Dist. restrs. and SS energy: 9.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2342.831067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.831067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.662947 (E_RNA)
where:
Base-Base interactions energy: -1664.523
where: short stacking energy: -712.414
Base-Backbone interact. energy: -3.484
local terms energy: -684.655588
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -130.785
flat angles C4'-P-C4' energy: -144.976
flat angles P-C4'-P energy: -92.487
tors. eta vs tors. theta energy: -198.571
Dist. restrs. and SS energy: 9.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2257.369318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.369318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.666167 (E_RNA)
where:
Base-Base interactions energy: -1606.238
where: short stacking energy: -682.784
Base-Backbone interact. energy: -1.925
local terms energy: -656.502571
where:
bonds (distance) C4'-P energy: -115.936
bonds (distance) P-C4' energy: -131.253
flat angles C4'-P-C4' energy: -136.424
flat angles P-C4'-P energy: -79.151
tors. eta vs tors. theta energy: -193.738
Dist. restrs. and SS energy: 7.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2146.049921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.049921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.820097 (E_RNA)
where:
Base-Base interactions energy: -1509.810
where: short stacking energy: -607.390
Base-Backbone interact. energy: -0.709
local terms energy: -650.301017
where:
bonds (distance) C4'-P energy: -126.549
bonds (distance) P-C4' energy: -101.156
flat angles C4'-P-C4' energy: -152.550
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -175.649
Dist. restrs. and SS energy: 14.770 (S_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: 50
Temperature: 1.250000
Total energy: -2017.383169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.383169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.839883 (E_RNA)
where:
Base-Base interactions energy: -1424.265
where: short stacking energy: -585.717
Base-Backbone interact. energy: -3.428
local terms energy: -610.146448
where:
bonds (distance) C4'-P energy: -104.446
bonds (distance) P-C4' energy: -133.349
flat angles C4'-P-C4' energy: -129.842
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -159.687
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: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1954.987300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.987300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.840506 (E_RNA)
where:
Base-Base interactions energy: -1391.130
where: short stacking energy: -569.577
Base-Backbone interact. energy: -3.108
local terms energy: -581.602501
where:
bonds (distance) C4'-P energy: -107.288
bonds (distance) P-C4' energy: -124.421
flat angles C4'-P-C4' energy: -133.453
flat angles P-C4'-P energy: -62.731
tors. eta vs tors. theta energy: -153.709
Dist. restrs. and SS energy: 20.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1916.111376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.111376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.165949 (E_RNA)
where:
Base-Base interactions energy: -1405.076
where: short stacking energy: -596.350
Base-Backbone interact. energy: -1.422
local terms energy: -533.668054
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -88.830
flat angles C4'-P-C4' energy: -129.710
flat angles P-C4'-P energy: -70.102
tors. eta vs tors. theta energy: -160.720
Dist. restrs. and SS energy: 24.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2625.479470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.479470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.186159 (E_RNA)
where:
Base-Base interactions energy: -1849.408
where: short stacking energy: -782.569
Base-Backbone interact. energy: -0.922
local terms energy: -780.855915
where:
bonds (distance) C4'-P energy: -143.582
bonds (distance) P-C4' energy: -137.635
flat angles C4'-P-C4' energy: -155.030
flat angles P-C4'-P energy: -116.410
tors. eta vs tors. theta energy: -228.199
Dist. restrs. and SS energy: 5.707 (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: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2559.654453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.654453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.842275 (E_RNA)
where:
Base-Base interactions energy: -1800.278
where: short stacking energy: -770.785
Base-Backbone interact. energy: -0.530
local terms energy: -767.034287
where:
bonds (distance) C4'-P energy: -138.445
bonds (distance) P-C4' energy: -141.814
flat angles C4'-P-C4' energy: -161.412
flat angles P-C4'-P energy: -96.605
tors. eta vs tors. theta energy: -228.759
Dist. restrs. and SS energy: 8.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2521.819091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.819091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.314924 (E_RNA)
where:
Base-Base interactions energy: -1757.845
where: short stacking energy: -731.816
Base-Backbone interact. energy: -2.680
local terms energy: -768.790012
where:
bonds (distance) C4'-P energy: -145.220
bonds (distance) P-C4' energy: -142.147
flat angles C4'-P-C4' energy: -160.208
flat angles P-C4'-P energy: -111.716
tors. eta vs tors. theta energy: -209.499
Dist. restrs. and SS energy: 7.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2433.326759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.326759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.161999 (E_RNA)
where:
Base-Base interactions energy: -1717.899
where: short stacking energy: -712.928
Base-Backbone interact. energy: -1.357
local terms energy: -720.905489
where:
bonds (distance) C4'-P energy: -133.352
bonds (distance) P-C4' energy: -130.610
flat angles C4'-P-C4' energy: -155.153
flat angles P-C4'-P energy: -91.014
tors. eta vs tors. theta energy: -210.777
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: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2345.997344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.861395 (E_RNA)
where:
Base-Base interactions energy: -1648.924
where: short stacking energy: -711.635
Base-Backbone interact. energy: 1.463
local terms energy: -710.399796
where:
bonds (distance) C4'-P energy: -123.567
bonds (distance) P-C4' energy: -143.539
flat angles C4'-P-C4' energy: -142.426
flat angles P-C4'-P energy: -95.464
tors. eta vs tors. theta energy: -205.404
Dist. restrs. and SS energy: 11.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2243.114523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.114523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.986940 (E_RNA)
where:
Base-Base interactions energy: -1574.835
where: short stacking energy: -639.925
Base-Backbone interact. energy: -4.335
local terms energy: -672.816412
where:
bonds (distance) C4'-P energy: -125.364
bonds (distance) P-C4' energy: -117.926
flat angles C4'-P-C4' energy: -140.503
flat angles P-C4'-P energy: -100.027
tors. eta vs tors. theta energy: -188.998
Dist. restrs. and SS energy: 8.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2156.210603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.210603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.983804 (E_RNA)
where:
Base-Base interactions energy: -1542.687
where: short stacking energy: -628.086
Base-Backbone interact. energy: -1.951
local terms energy: -631.345666
where:
bonds (distance) C4'-P energy: -109.064
bonds (distance) P-C4' energy: -104.819
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -80.130
tors. eta vs tors. theta energy: -180.925
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: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2064.744756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.744756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.711499 (E_RNA)
where:
Base-Base interactions energy: -1416.739
where: short stacking energy: -580.430
Base-Backbone interact. energy: -1.866
local terms energy: -657.106826
where:
bonds (distance) C4'-P energy: -124.208
bonds (distance) P-C4' energy: -133.097
flat angles C4'-P-C4' energy: -146.916
flat angles P-C4'-P energy: -82.071
tors. eta vs tors. theta energy: -170.815
Dist. restrs. and SS energy: 10.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1993.093051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.093051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.699063 (E_RNA)
where:
Base-Base interactions energy: -1448.546
where: short stacking energy: -608.682
Base-Backbone interact. energy: 0.491
local terms energy: -564.644288
where:
bonds (distance) C4'-P energy: -102.797
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -125.179
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -156.170
Dist. restrs. and SS energy: 19.606 (S_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: 51
Temperature: 1.350000
Total energy: -1941.040556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.040556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.356642 (E_RNA)
where:
Base-Base interactions energy: -1364.636
where: short stacking energy: -590.693
Base-Backbone interact. energy: -3.447
local terms energy: -593.273121
where:
bonds (distance) C4'-P energy: -112.282
bonds (distance) P-C4' energy: -108.029
flat angles C4'-P-C4' energy: -120.441
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -174.746
Dist. restrs. and SS energy: 20.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2657.517404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.517404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.371100 (E_RNA)
where:
Base-Base interactions energy: -1872.124
where: short stacking energy: -763.010
Base-Backbone interact. energy: -2.474
local terms energy: -786.773737
where:
bonds (distance) C4'-P energy: -140.697
bonds (distance) P-C4' energy: -152.275
flat angles C4'-P-C4' energy: -158.755
flat angles P-C4'-P energy: -107.650
tors. eta vs tors. theta energy: -227.397
Dist. restrs. and SS energy: 3.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2556.066313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.066313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.919219 (E_RNA)
where:
Base-Base interactions energy: -1805.426
where: short stacking energy: -763.361
Base-Backbone interact. energy: -1.242
local terms energy: -763.251064
where:
bonds (distance) C4'-P energy: -131.098
bonds (distance) P-C4' energy: -138.501
flat angles C4'-P-C4' energy: -162.954
flat angles P-C4'-P energy: -105.968
tors. eta vs tors. theta energy: -224.730
Dist. restrs. and SS energy: 13.853 (S_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: 52
Temperature: 1.000000
Total energy: -2547.025778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.025778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.351518 (E_RNA)
where:
Base-Base interactions energy: -1777.362
where: short stacking energy: -750.888
Base-Backbone interact. energy: -1.763
local terms energy: -778.227139
where:
bonds (distance) C4'-P energy: -154.284
bonds (distance) P-C4' energy: -136.025
flat angles C4'-P-C4' energy: -164.394
flat angles P-C4'-P energy: -104.810
tors. eta vs tors. theta energy: -218.714
Dist. restrs. and SS energy: 10.326 (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: 52
Temperature: 1.050000
Total energy: -2444.338492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.338492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.760028 (E_RNA)
where:
Base-Base interactions energy: -1712.123
where: short stacking energy: -709.045
Base-Backbone interact. energy: 1.995
local terms energy: -737.632476
where:
bonds (distance) C4'-P energy: -133.937
bonds (distance) P-C4' energy: -133.212
flat angles C4'-P-C4' energy: -147.618
flat angles P-C4'-P energy: -111.161
tors. eta vs tors. theta energy: -211.705
Dist. restrs. and SS energy: 3.422 (S_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: 52
Temperature: 1.100000
Total energy: -2328.502782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.502782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.266192 (E_RNA)
where:
Base-Base interactions energy: -1621.398
where: short stacking energy: -667.761
Base-Backbone interact. energy: -5.357
local terms energy: -712.511169
where:
bonds (distance) C4'-P energy: -122.624
bonds (distance) P-C4' energy: -150.734
flat angles C4'-P-C4' energy: -137.097
flat angles P-C4'-P energy: -100.006
tors. eta vs tors. theta energy: -202.050
Dist. restrs. and SS energy: 10.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2236.215133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.215133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.652004 (E_RNA)
where:
Base-Base interactions energy: -1557.961
where: short stacking energy: -669.730
Base-Backbone interact. energy: 1.506
local terms energy: -693.196463
where:
bonds (distance) C4'-P energy: -130.136
bonds (distance) P-C4' energy: -133.332
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -89.426
tors. eta vs tors. theta energy: -202.871
Dist. restrs. and SS energy: 13.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2155.186370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.186370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.569231 (E_RNA)
where:
Base-Base interactions energy: -1549.245
where: short stacking energy: -612.713
Base-Backbone interact. energy: -4.630
local terms energy: -616.693715
where:
bonds (distance) C4'-P energy: -106.120
bonds (distance) P-C4' energy: -115.017
flat angles C4'-P-C4' energy: -143.346
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -174.809
Dist. restrs. and SS energy: 15.383 (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: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2116.941527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.941527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.104770 (E_RNA)
where:
Base-Base interactions energy: -1487.987
where: short stacking energy: -605.093
Base-Backbone interact. energy: -2.153
local terms energy: -643.964872
where:
bonds (distance) C4'-P energy: -109.564
bonds (distance) P-C4' energy: -135.871
flat angles C4'-P-C4' energy: -157.054
flat angles P-C4'-P energy: -68.102
tors. eta vs tors. theta energy: -173.375
Dist. restrs. and SS energy: 17.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -2018.478018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.478018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.610829 (E_RNA)
where:
Base-Base interactions energy: -1428.927
where: short stacking energy: -596.303
Base-Backbone interact. energy: -3.098
local terms energy: -603.586335
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -135.508
flat angles C4'-P-C4' energy: -130.400
flat angles P-C4'-P energy: -70.587
tors. eta vs tors. theta energy: -171.364
Dist. restrs. and SS energy: 17.133 (S_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: 52
Temperature: 1.350000
Total energy: -1932.004805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.004805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.722065 (E_RNA)
where:
Base-Base interactions energy: -1387.915
where: short stacking energy: -560.871
Base-Backbone interact. energy: 2.458
local terms energy: -556.265522
where:
bonds (distance) C4'-P energy: -100.169
bonds (distance) P-C4' energy: -109.848
flat angles C4'-P-C4' energy: -128.515
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -156.327
Dist. restrs. and SS energy: 9.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2630.683635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.683635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.822873 (E_RNA)
where:
Base-Base interactions energy: -1845.093
where: short stacking energy: -776.800
Base-Backbone interact. energy: -0.768
local terms energy: -790.961097
where:
bonds (distance) C4'-P energy: -146.863
bonds (distance) P-C4' energy: -138.848
flat angles C4'-P-C4' energy: -168.584
flat angles P-C4'-P energy: -112.790
tors. eta vs tors. theta energy: -223.876
Dist. restrs. and SS energy: 6.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2593.942838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.942838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.103279 (E_RNA)
where:
Base-Base interactions energy: -1806.157
where: short stacking energy: -775.461
Base-Backbone interact. energy: -1.727
local terms energy: -792.219647
where:
bonds (distance) C4'-P energy: -148.344
bonds (distance) P-C4' energy: -139.562
flat angles C4'-P-C4' energy: -155.812
flat angles P-C4'-P energy: -119.684
tors. eta vs tors. theta energy: -228.817
Dist. restrs. and SS energy: 6.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2506.324770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.324770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.688131 (E_RNA)
where:
Base-Base interactions energy: -1754.243
where: short stacking energy: -743.988
Base-Backbone interact. energy: -0.227
local terms energy: -764.217851
where:
bonds (distance) C4'-P energy: -121.708
bonds (distance) P-C4' energy: -134.396
flat angles C4'-P-C4' energy: -171.841
flat angles P-C4'-P energy: -114.008
tors. eta vs tors. theta energy: -222.264
Dist. restrs. and SS energy: 12.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2409.719473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.719473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.099400 (E_RNA)
where:
Base-Base interactions energy: -1686.808
where: short stacking energy: -729.846
Base-Backbone interact. energy: -2.251
local terms energy: -728.040323
where:
bonds (distance) C4'-P energy: -123.684
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -157.443
flat angles P-C4'-P energy: -103.980
tors. eta vs tors. theta energy: -217.437
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: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2352.300356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.300356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.937948 (E_RNA)
where:
Base-Base interactions energy: -1655.141
where: short stacking energy: -683.048
Base-Backbone interact. energy: -1.655
local terms energy: -706.142325
where:
bonds (distance) C4'-P energy: -121.995
bonds (distance) P-C4' energy: -139.885
flat angles C4'-P-C4' energy: -145.155
flat angles P-C4'-P energy: -97.801
tors. eta vs tors. theta energy: -201.307
Dist. restrs. and SS energy: 10.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2242.656825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.656825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.319284 (E_RNA)
where:
Base-Base interactions energy: -1564.671
where: short stacking energy: -626.633
Base-Backbone interact. energy: -2.126
local terms energy: -687.521980
where:
bonds (distance) C4'-P energy: -132.145
bonds (distance) P-C4' energy: -125.955
flat angles C4'-P-C4' energy: -151.799
flat angles P-C4'-P energy: -84.416
tors. eta vs tors. theta energy: -193.208
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2152.155951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.155951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.192652 (E_RNA)
where:
Base-Base interactions energy: -1533.549
where: short stacking energy: -639.976
Base-Backbone interact. energy: -1.838
local terms energy: -628.805470
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -107.143
flat angles C4'-P-C4' energy: -131.131
flat angles P-C4'-P energy: -80.767
tors. eta vs tors. theta energy: -182.751
Dist. restrs. and SS energy: 12.037 (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: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2118.092802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.092802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.170712 (E_RNA)
where:
Base-Base interactions energy: -1483.702
where: short stacking energy: -606.569
Base-Backbone interact. energy: -3.236
local terms energy: -646.233222
where:
bonds (distance) C4'-P energy: -107.172
bonds (distance) P-C4' energy: -127.366
flat angles C4'-P-C4' energy: -149.092
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -175.148
Dist. restrs. and SS energy: 15.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -2039.744198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.744198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.192039 (E_RNA)
where:
Base-Base interactions energy: -1430.630
where: short stacking energy: -599.318
Base-Backbone interact. energy: -0.044
local terms energy: -627.517608
where:
bonds (distance) C4'-P energy: -107.645
bonds (distance) P-C4' energy: -111.241
flat angles C4'-P-C4' energy: -153.422
flat angles P-C4'-P energy: -83.200
tors. eta vs tors. theta energy: -172.011
Dist. restrs. and SS energy: 18.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1938.474436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.474436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.170438 (E_RNA)
where:
Base-Base interactions energy: -1355.227
where: short stacking energy: -551.170
Base-Backbone interact. energy: -0.068
local terms energy: -594.875207
where:
bonds (distance) C4'-P energy: -125.995
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -119.762
flat angles P-C4'-P energy: -85.287
tors. eta vs tors. theta energy: -155.306
Dist. restrs. and SS energy: 11.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2612.091560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.091560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.356292 (E_RNA)
where:
Base-Base interactions energy: -1822.021
where: short stacking energy: -773.137
Base-Backbone interact. energy: -2.380
local terms energy: -797.956084
where:
bonds (distance) C4'-P energy: -146.860
bonds (distance) P-C4' energy: -141.391
flat angles C4'-P-C4' energy: -173.053
flat angles P-C4'-P energy: -108.445
tors. eta vs tors. theta energy: -228.208
Dist. restrs. and SS energy: 10.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2578.492993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.492993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.250202 (E_RNA)
where:
Base-Base interactions energy: -1789.354
where: short stacking energy: -746.529
Base-Backbone interact. energy: -2.557
local terms energy: -795.338766
where:
bonds (distance) C4'-P energy: -147.254
bonds (distance) P-C4' energy: -136.060
flat angles C4'-P-C4' energy: -163.279
flat angles P-C4'-P energy: -113.716
tors. eta vs tors. theta energy: -235.030
Dist. restrs. and SS energy: 8.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2488.946012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.946012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.425704 (E_RNA)
where:
Base-Base interactions energy: -1768.132
where: short stacking energy: -742.369
Base-Backbone interact. energy: 4.066
local terms energy: -736.359219
where:
bonds (distance) C4'-P energy: -134.643
bonds (distance) P-C4' energy: -128.205
flat angles C4'-P-C4' energy: -168.685
flat angles P-C4'-P energy: -94.925
tors. eta vs tors. theta energy: -209.901
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: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2449.095057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.095057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.806788 (E_RNA)
where:
Base-Base interactions energy: -1717.089
where: short stacking energy: -727.640
Base-Backbone interact. energy: -2.165
local terms energy: -739.552861
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -138.801
flat angles C4'-P-C4' energy: -152.355
flat angles P-C4'-P energy: -97.874
tors. eta vs tors. theta energy: -225.179
Dist. restrs. and SS energy: 9.712 (S_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: 54
Temperature: 1.100000
Total energy: -2357.850910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.850910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.682089 (E_RNA)
where:
Base-Base interactions energy: -1674.560
where: short stacking energy: -700.937
Base-Backbone interact. energy: -3.320
local terms energy: -688.802833
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -122.712
flat angles C4'-P-C4' energy: -156.000
flat angles P-C4'-P energy: -99.454
tors. eta vs tors. theta energy: -197.965
Dist. restrs. and SS energy: 8.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2287.742241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.742241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.809526 (E_RNA)
where:
Base-Base interactions energy: -1578.248
where: short stacking energy: -656.416
Base-Backbone interact. energy: 1.431
local terms energy: -725.992565
where:
bonds (distance) C4'-P energy: -141.918
bonds (distance) P-C4' energy: -124.310
flat angles C4'-P-C4' energy: -165.028
flat angles P-C4'-P energy: -107.905
tors. eta vs tors. theta energy: -186.832
Dist. restrs. and SS energy: 15.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2204.824166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.824166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.368633 (E_RNA)
where:
Base-Base interactions energy: -1546.858
where: short stacking energy: -624.862
Base-Backbone interact. energy: -3.477
local terms energy: -665.033777
where:
bonds (distance) C4'-P energy: -114.374
bonds (distance) P-C4' energy: -115.369
flat angles C4'-P-C4' energy: -144.668
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -199.893
Dist. restrs. and SS energy: 10.544 (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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2131.387209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.387209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.867017 (E_RNA)
where:
Base-Base interactions energy: -1501.276
where: short stacking energy: -616.184
Base-Backbone interact. energy: -2.426
local terms energy: -638.164648
where:
bonds (distance) C4'-P energy: -133.989
bonds (distance) P-C4' energy: -98.987
flat angles C4'-P-C4' energy: -145.294
flat angles P-C4'-P energy: -90.488
tors. eta vs tors. theta energy: -169.407
Dist. restrs. and SS energy: 10.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -2004.575000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.575000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.560724 (E_RNA)
where:
Base-Base interactions energy: -1436.873
where: short stacking energy: -590.708
Base-Backbone interact. energy: -0.604
local terms energy: -593.083726
where:
bonds (distance) C4'-P energy: -92.776
bonds (distance) P-C4' energy: -121.661
flat angles C4'-P-C4' energy: -140.777
flat angles P-C4'-P energy: -76.014
tors. eta vs tors. theta energy: -161.856
Dist. restrs. and SS energy: 25.986 (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: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1914.524945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.524945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.321752 (E_RNA)
where:
Base-Base interactions energy: -1349.360
where: short stacking energy: -558.986
Base-Backbone interact. energy: -1.935
local terms energy: -577.026740
where:
bonds (distance) C4'-P energy: -119.543
bonds (distance) P-C4' energy: -85.570
flat angles C4'-P-C4' energy: -140.750
flat angles P-C4'-P energy: -81.850
tors. eta vs tors. theta energy: -149.314
Dist. restrs. and SS energy: 13.797 (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: 55
Temperature: 0.900000
Total energy: -2639.686345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.686345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.871148 (E_RNA)
where:
Base-Base interactions energy: -1832.538
where: short stacking energy: -744.497
Base-Backbone interact. energy: -0.480
local terms energy: -808.853050
where:
bonds (distance) C4'-P energy: -154.675
bonds (distance) P-C4' energy: -144.337
flat angles C4'-P-C4' energy: -162.609
flat angles P-C4'-P energy: -126.777
tors. eta vs tors. theta energy: -220.455
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2570.244532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.244532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.626736 (E_RNA)
where:
Base-Base interactions energy: -1802.739
where: short stacking energy: -737.360
Base-Backbone interact. energy: 0.328
local terms energy: -771.215618
where:
bonds (distance) C4'-P energy: -141.682
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -155.466
flat angles P-C4'-P energy: -116.487
tors. eta vs tors. theta energy: -218.358
Dist. restrs. and SS energy: 3.382 (S_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: 55
Temperature: 1.000000
Total energy: -2502.138108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.138108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.107456 (E_RNA)
where:
Base-Base interactions energy: -1744.983
where: short stacking energy: -716.364
Base-Backbone interact. energy: -3.911
local terms energy: -765.213292
where:
bonds (distance) C4'-P energy: -135.705
bonds (distance) P-C4' energy: -135.878
flat angles C4'-P-C4' energy: -149.834
flat angles P-C4'-P energy: -119.352
tors. eta vs tors. theta energy: -224.444
Dist. restrs. and SS energy: 11.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2419.450339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.450339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.644511 (E_RNA)
where:
Base-Base interactions energy: -1716.968
where: short stacking energy: -729.753
Base-Backbone interact. energy: -1.039
local terms energy: -708.637045
where:
bonds (distance) C4'-P energy: -130.419
bonds (distance) P-C4' energy: -123.087
flat angles C4'-P-C4' energy: -147.390
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -209.017
Dist. restrs. and SS energy: 7.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2332.472002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.472002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.980362 (E_RNA)
where:
Base-Base interactions energy: -1650.000
where: short stacking energy: -688.852
Base-Backbone interact. energy: -3.602
local terms energy: -686.378448
where:
bonds (distance) C4'-P energy: -124.967
bonds (distance) P-C4' energy: -136.176
flat angles C4'-P-C4' energy: -141.868
flat angles P-C4'-P energy: -85.885
tors. eta vs tors. theta energy: -197.483
Dist. restrs. and SS energy: 7.508 (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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2276.855938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.855938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.336948 (E_RNA)
where:
Base-Base interactions energy: -1599.270
where: short stacking energy: -658.308
Base-Backbone interact. energy: -3.311
local terms energy: -684.756391
where:
bonds (distance) C4'-P energy: -117.436
bonds (distance) P-C4' energy: -128.015
flat angles C4'-P-C4' energy: -150.108
flat angles P-C4'-P energy: -96.666
tors. eta vs tors. theta energy: -192.531
Dist. restrs. and SS energy: 10.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2193.268703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.268703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.629251 (E_RNA)
where:
Base-Base interactions energy: -1524.176
where: short stacking energy: -617.254
Base-Backbone interact. energy: -0.656
local terms energy: -676.797533
where:
bonds (distance) C4'-P energy: -119.368
bonds (distance) P-C4' energy: -118.671
flat angles C4'-P-C4' energy: -144.352
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -195.041
Dist. restrs. and SS energy: 8.361 (S_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: 55
Temperature: 1.250000
Total energy: -2063.524167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.524167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.795588 (E_RNA)
where:
Base-Base interactions energy: -1461.531
where: short stacking energy: -594.999
Base-Backbone interact. energy: -1.462
local terms energy: -632.801847
where:
bonds (distance) C4'-P energy: -85.840
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -145.587
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -176.032
Dist. restrs. and SS energy: 32.271 (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: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -2065.780287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.780287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.219880 (E_RNA)
where:
Base-Base interactions energy: -1449.439
where: short stacking energy: -585.675
Base-Backbone interact. energy: -2.435
local terms energy: -632.345501
where:
bonds (distance) C4'-P energy: -112.994
bonds (distance) P-C4' energy: -127.702
flat angles C4'-P-C4' energy: -116.747
flat angles P-C4'-P energy: -89.202
tors. eta vs tors. theta energy: -185.701
Dist. restrs. and SS energy: 18.440 (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: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1962.309945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.309945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.747558 (E_RNA)
where:
Base-Base interactions energy: -1419.376
where: short stacking energy: -590.818
Base-Backbone interact. energy: 1.665
local terms energy: -563.036222
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -113.163
flat angles C4'-P-C4' energy: -115.784
flat angles P-C4'-P energy: -79.769
tors. eta vs tors. theta energy: -161.723
Dist. restrs. and SS energy: 18.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2671.470816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.470816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.620287 (E_RNA)
where:
Base-Base interactions energy: -1866.616
where: short stacking energy: -782.557
Base-Backbone interact. energy: -3.190
local terms energy: -806.814752
where:
bonds (distance) C4'-P energy: -150.965
bonds (distance) P-C4' energy: -150.009
flat angles C4'-P-C4' energy: -160.764
flat angles P-C4'-P energy: -112.618
tors. eta vs tors. theta energy: -232.458
Dist. restrs. and SS energy: 5.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2592.203035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.203035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.691970 (E_RNA)
where:
Base-Base interactions energy: -1820.346
where: short stacking energy: -740.865
Base-Backbone interact. energy: 6.622
local terms energy: -786.967676
where:
bonds (distance) C4'-P energy: -142.981
bonds (distance) P-C4' energy: -143.588
flat angles C4'-P-C4' energy: -162.583
flat angles P-C4'-P energy: -119.260
tors. eta vs tors. theta energy: -218.555
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: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2541.843762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.843762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.317363 (E_RNA)
where:
Base-Base interactions energy: -1769.414
where: short stacking energy: -752.817
Base-Backbone interact. energy: -2.475
local terms energy: -782.428303
where:
bonds (distance) C4'-P energy: -132.900
bonds (distance) P-C4' energy: -144.981
flat angles C4'-P-C4' energy: -169.389
flat angles P-C4'-P energy: -112.728
tors. eta vs tors. theta energy: -222.430
Dist. restrs. and SS energy: 12.474 (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: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2401.607281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.607281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.109772 (E_RNA)
where:
Base-Base interactions energy: -1687.467
where: short stacking energy: -733.575
Base-Backbone interact. energy: -1.300
local terms energy: -719.343262
where:
bonds (distance) C4'-P energy: -129.979
bonds (distance) P-C4' energy: -126.269
flat angles C4'-P-C4' energy: -150.673
flat angles P-C4'-P energy: -100.786
tors. eta vs tors. theta energy: -211.636
Dist. restrs. and SS energy: 6.502 (S_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: 56
Temperature: 1.100000
Total energy: -2349.270882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.270882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.379814 (E_RNA)
where:
Base-Base interactions energy: -1642.828
where: short stacking energy: -711.877
Base-Backbone interact. energy: -3.264
local terms energy: -716.288130
where:
bonds (distance) C4'-P energy: -119.408
bonds (distance) P-C4' energy: -133.089
flat angles C4'-P-C4' energy: -148.474
flat angles P-C4'-P energy: -105.771
tors. eta vs tors. theta energy: -209.546
Dist. restrs. and SS energy: 13.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2265.475693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.475693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.097063 (E_RNA)
where:
Base-Base interactions energy: -1595.179
where: short stacking energy: -685.855
Base-Backbone interact. energy: -4.322
local terms energy: -690.595700
where:
bonds (distance) C4'-P energy: -123.786
bonds (distance) P-C4' energy: -125.016
flat angles C4'-P-C4' energy: -144.547
flat angles P-C4'-P energy: -99.058
tors. eta vs tors. theta energy: -198.189
Dist. restrs. and SS energy: 24.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2182.949714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.949714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.716663 (E_RNA)
where:
Base-Base interactions energy: -1522.221
where: short stacking energy: -652.133
Base-Backbone interact. energy: -1.327
local terms energy: -680.169245
where:
bonds (distance) C4'-P energy: -110.663
bonds (distance) P-C4' energy: -130.748
flat angles C4'-P-C4' energy: -152.302
flat angles P-C4'-P energy: -98.018
tors. eta vs tors. theta energy: -188.437
Dist. restrs. and SS energy: 20.767 (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: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2099.124662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.124662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.021070 (E_RNA)
where:
Base-Base interactions energy: -1483.719
where: short stacking energy: -635.925
Base-Backbone interact. energy: 0.698
local terms energy: -633.999101
where:
bonds (distance) C4'-P energy: -125.906
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -144.539
flat angles P-C4'-P energy: -85.744
tors. eta vs tors. theta energy: -177.200
Dist. restrs. and SS energy: 17.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -2035.311412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.311412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.701503 (E_RNA)
where:
Base-Base interactions energy: -1445.244
where: short stacking energy: -586.907
Base-Backbone interact. energy: 1.410
local terms energy: -606.867935
where:
bonds (distance) C4'-P energy: -122.162
bonds (distance) P-C4' energy: -125.562
flat angles C4'-P-C4' energy: -132.057
flat angles P-C4'-P energy: -68.985
tors. eta vs tors. theta energy: -158.103
Dist. restrs. and SS energy: 15.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1947.687759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.687759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.793137 (E_RNA)
where:
Base-Base interactions energy: -1377.857
where: short stacking energy: -551.045
Base-Backbone interact. energy: -4.700
local terms energy: -577.236347
where:
bonds (distance) C4'-P energy: -103.881
bonds (distance) P-C4' energy: -104.285
flat angles C4'-P-C4' energy: -114.515
flat angles P-C4'-P energy: -88.867
tors. eta vs tors. theta energy: -165.689
Dist. restrs. and SS energy: 12.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2660.977396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.977396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.915318 (E_RNA)
where:
Base-Base interactions energy: -1864.794
where: short stacking energy: -791.035
Base-Backbone interact. energy: -1.796
local terms energy: -801.324963
where:
bonds (distance) C4'-P energy: -154.144
bonds (distance) P-C4' energy: -140.348
flat angles C4'-P-C4' energy: -156.750
flat angles P-C4'-P energy: -119.047
tors. eta vs tors. theta energy: -231.036
Dist. restrs. and SS energy: 6.938 (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: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2594.384970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.384970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.684749 (E_RNA)
where:
Base-Base interactions energy: -1826.024
where: short stacking energy: -764.939
Base-Backbone interact. energy: 2.036
local terms energy: -776.696789
where:
bonds (distance) C4'-P energy: -141.841
bonds (distance) P-C4' energy: -141.543
flat angles C4'-P-C4' energy: -151.849
flat angles P-C4'-P energy: -113.433
tors. eta vs tors. theta energy: -228.032
Dist. restrs. and SS energy: 6.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2492.641804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.641804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.677295 (E_RNA)
where:
Base-Base interactions energy: -1739.691
where: short stacking energy: -721.527
Base-Backbone interact. energy: -2.991
local terms energy: -757.995889
where:
bonds (distance) C4'-P energy: -129.681
bonds (distance) P-C4' energy: -148.949
flat angles C4'-P-C4' energy: -153.453
flat angles P-C4'-P energy: -107.426
tors. eta vs tors. theta energy: -218.487
Dist. restrs. and SS energy: 8.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2413.094874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.094874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.569899 (E_RNA)
where:
Base-Base interactions energy: -1676.903
where: short stacking energy: -706.998
Base-Backbone interact. energy: -5.084
local terms energy: -740.583540
where:
bonds (distance) C4'-P energy: -131.620
bonds (distance) P-C4' energy: -143.322
flat angles C4'-P-C4' energy: -157.929
flat angles P-C4'-P energy: -105.144
tors. eta vs tors. theta energy: -202.568
Dist. restrs. and SS energy: 9.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2372.429265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.429265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.882034 (E_RNA)
where:
Base-Base interactions energy: -1644.337
where: short stacking energy: -702.680
Base-Backbone interact. energy: -2.706
local terms energy: -734.838781
where:
bonds (distance) C4'-P energy: -127.960
bonds (distance) P-C4' energy: -131.094
flat angles C4'-P-C4' energy: -164.634
flat angles P-C4'-P energy: -99.585
tors. eta vs tors. theta energy: -211.565
Dist. restrs. and SS energy: 9.453 (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: 57
Temperature: 1.150000
Total energy: -2293.285573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.285573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.926835 (E_RNA)
where:
Base-Base interactions energy: -1607.766
where: short stacking energy: -666.739
Base-Backbone interact. energy: -2.752
local terms energy: -695.408717
where:
bonds (distance) C4'-P energy: -119.733
bonds (distance) P-C4' energy: -132.156
flat angles C4'-P-C4' energy: -149.458
flat angles P-C4'-P energy: -93.321
tors. eta vs tors. theta energy: -200.739
Dist. restrs. and SS energy: 12.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2180.297774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.297774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.579889 (E_RNA)
where:
Base-Base interactions energy: -1512.911
where: short stacking energy: -644.815
Base-Backbone interact. energy: -1.941
local terms energy: -684.728078
where:
bonds (distance) C4'-P energy: -126.845
bonds (distance) P-C4' energy: -127.273
flat angles C4'-P-C4' energy: -126.912
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -197.824
Dist. restrs. and SS energy: 19.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2078.901749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.901749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.132748 (E_RNA)
where:
Base-Base interactions energy: -1475.731
where: short stacking energy: -599.294
Base-Backbone interact. energy: 0.130
local terms energy: -616.532001
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -124.354
flat angles C4'-P-C4' energy: -130.522
flat angles P-C4'-P energy: -75.021
tors. eta vs tors. theta energy: -160.401
Dist. restrs. and SS energy: 13.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -2091.518392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.518392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.986650 (E_RNA)
where:
Base-Base interactions energy: -1492.847
where: short stacking energy: -616.831
Base-Backbone interact. energy: 8.047
local terms energy: -620.187057
where:
bonds (distance) C4'-P energy: -87.749
bonds (distance) P-C4' energy: -127.565
flat angles C4'-P-C4' energy: -139.018
flat angles P-C4'-P energy: -97.784
tors. eta vs tors. theta energy: -168.071
Dist. restrs. and SS energy: 13.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1912.368872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.368872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.229963 (E_RNA)
where:
Base-Base interactions energy: -1358.200
where: short stacking energy: -542.235
Base-Backbone interact. energy: -1.948
local terms energy: -570.082018
where:
bonds (distance) C4'-P energy: -92.030
bonds (distance) P-C4' energy: -108.005
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -85.943
tors. eta vs tors. theta energy: -162.052
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: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2692.366860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.366860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.213909 (E_RNA)
where:
Base-Base interactions energy: -1886.457
where: short stacking energy: -784.725
Base-Backbone interact. energy: -1.882
local terms energy: -811.875616
where:
bonds (distance) C4'-P energy: -143.134
bonds (distance) P-C4' energy: -144.541
flat angles C4'-P-C4' energy: -162.164
flat angles P-C4'-P energy: -128.632
tors. eta vs tors. theta energy: -233.403
Dist. restrs. and SS energy: 7.847 (S_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: 58
Temperature: 0.950000
Total energy: -2595.754238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.754238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.908546 (E_RNA)
where:
Base-Base interactions energy: -1817.115
where: short stacking energy: -760.783
Base-Backbone interact. energy: -0.989
local terms energy: -782.804666
where:
bonds (distance) C4'-P energy: -135.533
bonds (distance) P-C4' energy: -156.492
flat angles C4'-P-C4' energy: -167.924
flat angles P-C4'-P energy: -102.268
tors. eta vs tors. theta energy: -220.587
Dist. restrs. and SS energy: 5.154 (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: 58
Temperature: 1.000000
Total energy: -2488.128323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.128323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.760182 (E_RNA)
where:
Base-Base interactions energy: -1731.090
where: short stacking energy: -722.221
Base-Backbone interact. energy: -3.625
local terms energy: -766.045622
where:
bonds (distance) C4'-P energy: -132.128
bonds (distance) P-C4' energy: -137.193
flat angles C4'-P-C4' energy: -167.498
flat angles P-C4'-P energy: -112.218
tors. eta vs tors. theta energy: -217.008
Dist. restrs. and SS energy: 12.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2480.347831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.347831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.122143 (E_RNA)
where:
Base-Base interactions energy: -1727.404
where: short stacking energy: -742.357
Base-Backbone interact. energy: -4.258
local terms energy: -755.459671
where:
bonds (distance) C4'-P energy: -137.806
bonds (distance) P-C4' energy: -134.410
flat angles C4'-P-C4' energy: -148.045
flat angles P-C4'-P energy: -110.927
tors. eta vs tors. theta energy: -224.272
Dist. restrs. and SS energy: 6.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2338.289313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.289313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.482736 (E_RNA)
where:
Base-Base interactions energy: -1648.675
where: short stacking energy: -692.721
Base-Backbone interact. energy: -1.211
local terms energy: -707.596685
where:
bonds (distance) C4'-P energy: -132.172
bonds (distance) P-C4' energy: -108.130
flat angles C4'-P-C4' energy: -151.006
flat angles P-C4'-P energy: -109.094
tors. eta vs tors. theta energy: -207.194
Dist. restrs. and SS energy: 19.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2295.560358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.560358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.849833 (E_RNA)
where:
Base-Base interactions energy: -1591.314
where: short stacking energy: -688.104
Base-Backbone interact. energy: -1.474
local terms energy: -711.062287
where:
bonds (distance) C4'-P energy: -125.662
bonds (distance) P-C4' energy: -126.268
flat angles C4'-P-C4' energy: -152.712
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -214.122
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2180.966072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.966072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.984345 (E_RNA)
where:
Base-Base interactions energy: -1506.579
where: short stacking energy: -635.946
Base-Backbone interact. energy: 2.266
local terms energy: -692.671549
where:
bonds (distance) C4'-P energy: -112.634
bonds (distance) P-C4' energy: -145.423
flat angles C4'-P-C4' energy: -148.591
flat angles P-C4'-P energy: -95.528
tors. eta vs tors. theta energy: -190.495
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: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2060.954655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.954655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.863654 (E_RNA)
where:
Base-Base interactions energy: -1456.379
where: short stacking energy: -605.395
Base-Backbone interact. energy: -3.513
local terms energy: -612.972180
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -144.596
flat angles P-C4'-P energy: -81.396
tors. eta vs tors. theta energy: -169.511
Dist. restrs. and SS energy: 11.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -2020.774845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.774845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.279955 (E_RNA)
where:
Base-Base interactions energy: -1405.440
where: short stacking energy: -591.987
Base-Backbone interact. energy: -1.542
local terms energy: -628.298304
where:
bonds (distance) C4'-P energy: -114.124
bonds (distance) P-C4' energy: -117.980
flat angles C4'-P-C4' energy: -144.498
flat angles P-C4'-P energy: -84.234
tors. eta vs tors. theta energy: -167.461
Dist. restrs. and SS energy: 14.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1896.964996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.964996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.496249 (E_RNA)
where:
Base-Base interactions energy: -1351.390
where: short stacking energy: -518.770
Base-Backbone interact. energy: -2.036
local terms energy: -564.070225
where:
bonds (distance) C4'-P energy: -106.341
bonds (distance) P-C4' energy: -115.893
flat angles C4'-P-C4' energy: -120.300
flat angles P-C4'-P energy: -82.477
tors. eta vs tors. theta energy: -139.059
Dist. restrs. and SS energy: 20.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2697.876481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.876481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.452600 (E_RNA)
where:
Base-Base interactions energy: -1907.987
where: short stacking energy: -771.517
Base-Backbone interact. energy: -4.854
local terms energy: -788.611493
where:
bonds (distance) C4'-P energy: -131.930
bonds (distance) P-C4' energy: -140.346
flat angles C4'-P-C4' energy: -168.239
flat angles P-C4'-P energy: -122.331
tors. eta vs tors. theta energy: -225.766
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: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2576.978535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.978535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.652397 (E_RNA)
where:
Base-Base interactions energy: -1806.868
where: short stacking energy: -743.726
Base-Backbone interact. energy: -3.415
local terms energy: -773.369662
where:
bonds (distance) C4'-P energy: -140.888
bonds (distance) P-C4' energy: -138.583
flat angles C4'-P-C4' energy: -168.981
flat angles P-C4'-P energy: -115.090
tors. eta vs tors. theta energy: -209.827
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: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2527.029455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.029455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.486750 (E_RNA)
where:
Base-Base interactions energy: -1773.412
where: short stacking energy: -757.660
Base-Backbone interact. energy: -3.455
local terms energy: -758.620426
where:
bonds (distance) C4'-P energy: -133.873
bonds (distance) P-C4' energy: -137.693
flat angles C4'-P-C4' energy: -162.580
flat angles P-C4'-P energy: -101.448
tors. eta vs tors. theta energy: -223.027
Dist. restrs. and SS energy: 8.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2465.706840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.706840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.134440 (E_RNA)
where:
Base-Base interactions energy: -1745.646
where: short stacking energy: -747.427
Base-Backbone interact. energy: -0.398
local terms energy: -725.090437
where:
bonds (distance) C4'-P energy: -137.931
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -149.455
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -220.024
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: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2303.515187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.515187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.434588 (E_RNA)
where:
Base-Base interactions energy: -1602.744
where: short stacking energy: -672.543
Base-Backbone interact. energy: -5.723
local terms energy: -705.966976
where:
bonds (distance) C4'-P energy: -116.929
bonds (distance) P-C4' energy: -133.246
flat angles C4'-P-C4' energy: -143.501
flat angles P-C4'-P energy: -113.180
tors. eta vs tors. theta energy: -199.110
Dist. restrs. and SS energy: 10.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2268.018429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.018429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.440306 (E_RNA)
where:
Base-Base interactions energy: -1578.280
where: short stacking energy: -651.251
Base-Backbone interact. energy: 4.276
local terms energy: -705.436604
where:
bonds (distance) C4'-P energy: -126.087
bonds (distance) P-C4' energy: -143.432
flat angles C4'-P-C4' energy: -143.291
flat angles P-C4'-P energy: -92.215
tors. eta vs tors. theta energy: -200.412
Dist. restrs. and SS energy: 11.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2181.201913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.201913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.820504 (E_RNA)
where:
Base-Base interactions energy: -1542.693
where: short stacking energy: -667.365
Base-Backbone interact. energy: 3.013
local terms energy: -663.141439
where:
bonds (distance) C4'-P energy: -112.952
bonds (distance) P-C4' energy: -120.358
flat angles C4'-P-C4' energy: -151.913
flat angles P-C4'-P energy: -85.731
tors. eta vs tors. theta energy: -192.187
Dist. restrs. and SS energy: 21.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2063.597732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.597732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.105170 (E_RNA)
where:
Base-Base interactions energy: -1449.098
where: short stacking energy: -607.819
Base-Backbone interact. energy: -3.580
local terms energy: -629.426910
where:
bonds (distance) C4'-P energy: -109.124
bonds (distance) P-C4' energy: -119.601
flat angles C4'-P-C4' energy: -133.242
flat angles P-C4'-P energy: -94.249
tors. eta vs tors. theta energy: -173.211
Dist. restrs. and SS energy: 18.507 (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: 59
Temperature: 1.300000
Total energy: -1967.926224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.926224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.659059 (E_RNA)
where:
Base-Base interactions energy: -1370.669
where: short stacking energy: -562.118
Base-Backbone interact. energy: -1.906
local terms energy: -613.083362
where:
bonds (distance) C4'-P energy: -118.740
bonds (distance) P-C4' energy: -114.365
flat angles C4'-P-C4' energy: -135.398
flat angles P-C4'-P energy: -89.870
tors. eta vs tors. theta energy: -154.710
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: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1905.057732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.057732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.827548 (E_RNA)
where:
Base-Base interactions energy: -1377.389
where: short stacking energy: -553.119
Base-Backbone interact. energy: 3.296
local terms energy: -553.734888
where:
bonds (distance) C4'-P energy: -93.099
bonds (distance) P-C4' energy: -126.849
flat angles C4'-P-C4' energy: -108.865
flat angles P-C4'-P energy: -76.936
tors. eta vs tors. theta energy: -147.986
Dist. restrs. and SS energy: 22.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2659.961885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.961885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.508095 (E_RNA)
where:
Base-Base interactions energy: -1850.010
where: short stacking energy: -794.627
Base-Backbone interact. energy: -2.102
local terms energy: -814.396372
where:
bonds (distance) C4'-P energy: -121.549
bonds (distance) P-C4' energy: -146.864
flat angles C4'-P-C4' energy: -172.231
flat angles P-C4'-P energy: -131.164
tors. eta vs tors. theta energy: -242.588
Dist. restrs. and SS energy: 6.546 (S_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: 60
Temperature: 0.950000
Total energy: -2585.333681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.333681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.334277 (E_RNA)
where:
Base-Base interactions energy: -1815.953
where: short stacking energy: -763.046
Base-Backbone interact. energy: -2.857
local terms energy: -772.524563
where:
bonds (distance) C4'-P energy: -126.864
bonds (distance) P-C4' energy: -147.185
flat angles C4'-P-C4' energy: -158.763
flat angles P-C4'-P energy: -112.844
tors. eta vs tors. theta energy: -226.868
Dist. restrs. and SS energy: 6.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2488.794644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.794644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.658967 (E_RNA)
where:
Base-Base interactions energy: -1736.176
where: short stacking energy: -746.602
Base-Backbone interact. energy: -3.080
local terms energy: -757.403553
where:
bonds (distance) C4'-P energy: -135.372
bonds (distance) P-C4' energy: -141.969
flat angles C4'-P-C4' energy: -152.516
flat angles P-C4'-P energy: -108.005
tors. eta vs tors. theta energy: -219.541
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: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2442.551550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.551550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.813207 (E_RNA)
where:
Base-Base interactions energy: -1698.519
where: short stacking energy: -726.471
Base-Backbone interact. energy: -2.710
local terms energy: -748.583619
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -112.993
flat angles C4'-P-C4' energy: -155.797
flat angles P-C4'-P energy: -120.273
tors. eta vs tors. theta energy: -218.273
Dist. restrs. and SS energy: 7.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2320.308056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.308056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.390277 (E_RNA)
where:
Base-Base interactions energy: -1634.687
where: short stacking energy: -694.721
Base-Backbone interact. energy: 1.622
local terms energy: -706.324954
where:
bonds (distance) C4'-P energy: -137.833
bonds (distance) P-C4' energy: -138.781
flat angles C4'-P-C4' energy: -144.428
flat angles P-C4'-P energy: -86.096
tors. eta vs tors. theta energy: -199.187
Dist. restrs. and SS energy: 19.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2268.309070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.309070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.307864 (E_RNA)
where:
Base-Base interactions energy: -1608.267
where: short stacking energy: -677.465
Base-Backbone interact. energy: -2.314
local terms energy: -675.726537
where:
bonds (distance) C4'-P energy: -116.384
bonds (distance) P-C4' energy: -109.691
flat angles C4'-P-C4' energy: -152.347
flat angles P-C4'-P energy: -98.745
tors. eta vs tors. theta energy: -198.560
Dist. restrs. and SS energy: 17.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2161.728296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.728296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.124726 (E_RNA)
where:
Base-Base interactions energy: -1533.403
where: short stacking energy: -645.560
Base-Backbone interact. energy: -2.502
local terms energy: -641.219940
where:
bonds (distance) C4'-P energy: -110.785
bonds (distance) P-C4' energy: -110.192
flat angles C4'-P-C4' energy: -145.776
flat angles P-C4'-P energy: -89.450
tors. eta vs tors. theta energy: -185.017
Dist. restrs. and SS energy: 15.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2094.009901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.009901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.622266 (E_RNA)
where:
Base-Base interactions energy: -1481.650
where: short stacking energy: -618.544
Base-Backbone interact. energy: -2.677
local terms energy: -626.295686
where:
bonds (distance) C4'-P energy: -114.491
bonds (distance) P-C4' energy: -120.902
flat angles C4'-P-C4' energy: -140.445
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -171.121
Dist. restrs. and SS energy: 16.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1997.605064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.605064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.510705 (E_RNA)
where:
Base-Base interactions energy: -1400.326
where: short stacking energy: -598.532
Base-Backbone interact. energy: 1.099
local terms energy: -613.283501
where:
bonds (distance) C4'-P energy: -120.208
bonds (distance) P-C4' energy: -108.039
flat angles C4'-P-C4' energy: -127.796
flat angles P-C4'-P energy: -77.067
tors. eta vs tors. theta energy: -180.173
Dist. restrs. and SS energy: 14.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1870.069358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.069358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.762520 (E_RNA)
where:
Base-Base interactions energy: -1326.911
where: short stacking energy: -522.315
Base-Backbone interact. energy: -1.516
local terms energy: -562.335417
where:
bonds (distance) C4'-P energy: -125.857
bonds (distance) P-C4' energy: -102.413
flat angles C4'-P-C4' energy: -133.075
flat angles P-C4'-P energy: -61.286
tors. eta vs tors. theta energy: -139.704
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: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2666.535027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.535027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.519527 (E_RNA)
where:
Base-Base interactions energy: -1842.255
where: short stacking energy: -782.883
Base-Backbone interact. energy: -4.476
local terms energy: -825.788736
where:
bonds (distance) C4'-P energy: -145.137
bonds (distance) P-C4' energy: -155.961
flat angles C4'-P-C4' energy: -163.760
flat angles P-C4'-P energy: -124.876
tors. eta vs tors. theta energy: -236.055
Dist. restrs. and SS energy: 5.984 (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: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2603.982518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.982518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.722248 (E_RNA)
where:
Base-Base interactions energy: -1820.006
where: short stacking energy: -756.752
Base-Backbone interact. energy: -1.926
local terms energy: -787.790395
where:
bonds (distance) C4'-P energy: -142.334
bonds (distance) P-C4' energy: -142.751
flat angles C4'-P-C4' energy: -172.843
flat angles P-C4'-P energy: -103.722
tors. eta vs tors. theta energy: -226.142
Dist. restrs. and SS energy: 5.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2471.478517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.478517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.829255 (E_RNA)
where:
Base-Base interactions energy: -1732.362
where: short stacking energy: -718.305
Base-Backbone interact. energy: -3.131
local terms energy: -745.336864
where:
bonds (distance) C4'-P energy: -144.756
bonds (distance) P-C4' energy: -141.049
flat angles C4'-P-C4' energy: -143.603
flat angles P-C4'-P energy: -99.718
tors. eta vs tors. theta energy: -216.211
Dist. restrs. and SS energy: 9.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2470.343114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.343114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.583470 (E_RNA)
where:
Base-Base interactions energy: -1745.387
where: short stacking energy: -728.120
Base-Backbone interact. energy: -0.789
local terms energy: -732.407343
where:
bonds (distance) C4'-P energy: -127.554
bonds (distance) P-C4' energy: -129.877
flat angles C4'-P-C4' energy: -146.084
flat angles P-C4'-P energy: -108.587
tors. eta vs tors. theta energy: -220.306
Dist. restrs. and SS energy: 8.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2308.535666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.535666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.020534 (E_RNA)
where:
Base-Base interactions energy: -1607.193
where: short stacking energy: -669.564
Base-Backbone interact. energy: -4.527
local terms energy: -711.299982
where:
bonds (distance) C4'-P energy: -135.780
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -149.701
flat angles P-C4'-P energy: -95.128
tors. eta vs tors. theta energy: -199.851
Dist. restrs. and SS energy: 14.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2167.480476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.480476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.890694 (E_RNA)
where:
Base-Base interactions energy: -1552.581
where: short stacking energy: -630.916
Base-Backbone interact. energy: -2.248
local terms energy: -630.062013
where:
bonds (distance) C4'-P energy: -121.690
bonds (distance) P-C4' energy: -113.430
flat angles C4'-P-C4' energy: -126.415
flat angles P-C4'-P energy: -88.518
tors. eta vs tors. theta energy: -180.010
Dist. restrs. and SS energy: 17.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2164.723438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.723438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.982743 (E_RNA)
where:
Base-Base interactions energy: -1507.571
where: short stacking energy: -626.403
Base-Backbone interact. energy: 0.001
local terms energy: -671.412356
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -114.522
flat angles C4'-P-C4' energy: -146.132
flat angles P-C4'-P energy: -99.586
tors. eta vs tors. theta energy: -188.086
Dist. restrs. and SS energy: 14.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2095.191206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.191206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.949002 (E_RNA)
where:
Base-Base interactions energy: -1479.013
where: short stacking energy: -600.802
Base-Backbone interact. energy: -0.079
local terms energy: -641.856715
where:
bonds (distance) C4'-P energy: -129.286
bonds (distance) P-C4' energy: -126.580
flat angles C4'-P-C4' energy: -127.489
flat angles P-C4'-P energy: -80.902
tors. eta vs tors. theta energy: -177.599
Dist. restrs. and SS energy: 25.758 (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: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -2012.464644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.464644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.289644 (E_RNA)
where:
Base-Base interactions energy: -1388.131
where: short stacking energy: -590.085
Base-Backbone interact. energy: 1.034
local terms energy: -646.192155
where:
bonds (distance) C4'-P energy: -129.338
bonds (distance) P-C4' energy: -108.551
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -99.263
tors. eta vs tors. theta energy: -158.695
Dist. restrs. and SS energy: 20.825 (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: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1871.353113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.353113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.015988 (E_RNA)
where:
Base-Base interactions energy: -1296.160
where: short stacking energy: -526.588
Base-Backbone interact. energy: -2.109
local terms energy: -595.747193
where:
bonds (distance) C4'-P energy: -122.209
bonds (distance) P-C4' energy: -123.888
flat angles C4'-P-C4' energy: -132.220
flat angles P-C4'-P energy: -64.567
tors. eta vs tors. theta energy: -152.864
Dist. restrs. and SS energy: 22.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2649.327116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.327116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.793217 (E_RNA)
where:
Base-Base interactions energy: -1857.709
where: short stacking energy: -783.556
Base-Backbone interact. energy: -3.518
local terms energy: -794.566313
where:
bonds (distance) C4'-P energy: -138.334
bonds (distance) P-C4' energy: -155.373
flat angles C4'-P-C4' energy: -155.106
flat angles P-C4'-P energy: -116.346
tors. eta vs tors. theta energy: -229.407
Dist. restrs. and SS energy: 6.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2595.340104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.340104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.749989 (E_RNA)
where:
Base-Base interactions energy: -1832.183
where: short stacking energy: -794.429
Base-Backbone interact. energy: -0.453
local terms energy: -770.114425
where:
bonds (distance) C4'-P energy: -130.291
bonds (distance) P-C4' energy: -144.427
flat angles C4'-P-C4' energy: -164.665
flat angles P-C4'-P energy: -102.206
tors. eta vs tors. theta energy: -228.526
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2475.652659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.652659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.727523 (E_RNA)
where:
Base-Base interactions energy: -1733.833
where: short stacking energy: -736.588
Base-Backbone interact. energy: -3.243
local terms energy: -749.651543
where:
bonds (distance) C4'-P energy: -139.556
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -162.594
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -214.585
Dist. restrs. and SS energy: 11.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2440.046942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.046942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.778516 (E_RNA)
where:
Base-Base interactions energy: -1735.792
where: short stacking energy: -716.508
Base-Backbone interact. energy: -0.460
local terms energy: -712.526674
where:
bonds (distance) C4'-P energy: -131.492
bonds (distance) P-C4' energy: -128.813
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -96.854
tors. eta vs tors. theta energy: -204.186
Dist. restrs. and SS energy: 8.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2333.295840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.295840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.680886 (E_RNA)
where:
Base-Base interactions energy: -1648.209
where: short stacking energy: -692.433
Base-Backbone interact. energy: -5.483
local terms energy: -692.988654
where:
bonds (distance) C4'-P energy: -126.754
bonds (distance) P-C4' energy: -122.939
flat angles C4'-P-C4' energy: -149.428
flat angles P-C4'-P energy: -90.362
tors. eta vs tors. theta energy: -203.506
Dist. restrs. and SS energy: 13.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2214.812259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.812259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.094735 (E_RNA)
where:
Base-Base interactions energy: -1547.516
where: short stacking energy: -656.288
Base-Backbone interact. energy: -3.422
local terms energy: -684.157291
where:
bonds (distance) C4'-P energy: -118.613
bonds (distance) P-C4' energy: -125.876
flat angles C4'-P-C4' energy: -157.424
flat angles P-C4'-P energy: -102.446
tors. eta vs tors. theta energy: -179.798
Dist. restrs. and SS energy: 20.282 (S_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: 62
Temperature: 1.200000
Total energy: -2178.633959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.633959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.520714 (E_RNA)
where:
Base-Base interactions energy: -1552.282
where: short stacking energy: -649.116
Base-Backbone interact. energy: -1.441
local terms energy: -640.797154
where:
bonds (distance) C4'-P energy: -110.085
bonds (distance) P-C4' energy: -124.774
flat angles C4'-P-C4' energy: -139.305
flat angles P-C4'-P energy: -83.987
tors. eta vs tors. theta energy: -182.646
Dist. restrs. and SS energy: 15.887 (S_DIST_RNA)
chem. 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: -2116.742786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.742786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.290450 (E_RNA)
where:
Base-Base interactions energy: -1487.453
where: short stacking energy: -638.020
Base-Backbone interact. energy: -2.260
local terms energy: -641.576972
where:
bonds (distance) C4'-P energy: -116.347
bonds (distance) P-C4' energy: -125.708
flat angles C4'-P-C4' energy: -137.898
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -167.910
Dist. restrs. and SS energy: 14.548 (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: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1982.123239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.123239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.480582 (E_RNA)
where:
Base-Base interactions energy: -1392.668
where: short stacking energy: -600.445
Base-Backbone interact. energy: -1.883
local terms energy: -612.929342
where:
bonds (distance) C4'-P energy: -120.668
bonds (distance) P-C4' energy: -103.851
flat angles C4'-P-C4' energy: -134.231
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -157.310
Dist. restrs. and SS energy: 25.357 (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: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1819.011152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.011152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.350476 (E_RNA)
where:
Base-Base interactions energy: -1288.920
where: short stacking energy: -520.392
Base-Backbone interact. energy: -4.170
local terms energy: -546.260138
where:
bonds (distance) C4'-P energy: -99.154
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -126.907
flat angles P-C4'-P energy: -71.652
tors. eta vs tors. theta energy: -144.785
Dist. restrs. and SS energy: 20.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2683.900682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.900682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.299273 (E_RNA)
where:
Base-Base interactions energy: -1880.498
where: short stacking energy: -776.136
Base-Backbone interact. energy: -2.679
local terms energy: -811.122409
where:
bonds (distance) C4'-P energy: -139.546
bonds (distance) P-C4' energy: -153.123
flat angles C4'-P-C4' energy: -159.941
flat angles P-C4'-P energy: -126.530
tors. eta vs tors. theta energy: -231.983
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: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2625.084691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.084691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.463979 (E_RNA)
where:
Base-Base interactions energy: -1817.981
where: short stacking energy: -783.876
Base-Backbone interact. energy: -6.632
local terms energy: -806.851090
where:
bonds (distance) C4'-P energy: -152.401
bonds (distance) P-C4' energy: -140.129
flat angles C4'-P-C4' energy: -164.588
flat angles P-C4'-P energy: -110.976
tors. eta vs tors. theta energy: -238.757
Dist. restrs. and SS energy: 6.379 (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: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2500.051542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.051542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.665297 (E_RNA)
where:
Base-Base interactions energy: -1762.347
where: short stacking energy: -732.976
Base-Backbone interact. energy: -2.015
local terms energy: -748.303379
where:
bonds (distance) C4'-P energy: -126.026
bonds (distance) P-C4' energy: -131.056
flat angles C4'-P-C4' energy: -169.694
flat angles P-C4'-P energy: -109.321
tors. eta vs tors. theta energy: -212.206
Dist. restrs. and SS energy: 12.614 (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: 63
Temperature: 1.050000
Total energy: -2428.219389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.219389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.792953 (E_RNA)
where:
Base-Base interactions energy: -1696.482
where: short stacking energy: -704.514
Base-Backbone interact. energy: -3.348
local terms energy: -734.963058
where:
bonds (distance) C4'-P energy: -135.219
bonds (distance) P-C4' energy: -117.922
flat angles C4'-P-C4' energy: -152.238
flat angles P-C4'-P energy: -101.728
tors. eta vs tors. theta energy: -227.857
Dist. restrs. and SS energy: 6.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2315.483043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.483043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.251734 (E_RNA)
where:
Base-Base interactions energy: -1613.487
where: short stacking energy: -675.707
Base-Backbone interact. energy: -4.080
local terms energy: -715.685048
where:
bonds (distance) C4'-P energy: -129.434
bonds (distance) P-C4' energy: -145.038
flat angles C4'-P-C4' energy: -163.271
flat angles P-C4'-P energy: -86.483
tors. eta vs tors. theta energy: -191.460
Dist. restrs. and SS energy: 17.769 (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: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2225.507608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.507608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.887554 (E_RNA)
where:
Base-Base interactions energy: -1558.495
where: short stacking energy: -642.679
Base-Backbone interact. energy: 1.872
local terms energy: -686.264876
where:
bonds (distance) C4'-P energy: -134.280
bonds (distance) P-C4' energy: -140.397
flat angles C4'-P-C4' energy: -147.847
flat angles P-C4'-P energy: -89.849
tors. eta vs tors. theta energy: -173.892
Dist. restrs. and SS energy: 17.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2173.147076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.147076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.322188 (E_RNA)
where:
Base-Base interactions energy: -1525.322
where: short stacking energy: -628.856
Base-Backbone interact. energy: 1.258
local terms energy: -664.258108
where:
bonds (distance) C4'-P energy: -114.158
bonds (distance) P-C4' energy: -134.128
flat angles C4'-P-C4' energy: -159.474
flat angles P-C4'-P energy: -81.423
tors. eta vs tors. theta energy: -175.075
Dist. restrs. and SS energy: 15.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2086.036660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.036660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.964806 (E_RNA)
where:
Base-Base interactions energy: -1484.225
where: short stacking energy: -598.243
Base-Backbone interact. energy: 0.037
local terms energy: -616.777506
where:
bonds (distance) C4'-P energy: -118.680
bonds (distance) P-C4' energy: -114.709
flat angles C4'-P-C4' energy: -132.627
flat angles P-C4'-P energy: -82.377
tors. eta vs tors. theta energy: -168.384
Dist. restrs. and SS energy: 14.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1956.348242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.348242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.867572 (E_RNA)
where:
Base-Base interactions energy: -1365.585
where: short stacking energy: -565.544
Base-Backbone interact. energy: -3.066
local terms energy: -608.216824
where:
bonds (distance) C4'-P energy: -107.252
bonds (distance) P-C4' energy: -123.240
flat angles C4'-P-C4' energy: -132.872
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -151.190
Dist. restrs. and SS energy: 20.519 (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: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1802.228019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.228019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.235800 (E_RNA)
where:
Base-Base interactions energy: -1295.873
where: short stacking energy: -544.088
Base-Backbone interact. energy: 1.648
local terms energy: -547.010500
where:
bonds (distance) C4'-P energy: -110.960
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -110.625
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -151.109
Dist. restrs. and SS energy: 39.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2672.180746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.180746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.534044 (E_RNA)
where:
Base-Base interactions energy: -1861.488
where: short stacking energy: -788.930
Base-Backbone interact. energy: -3.136
local terms energy: -814.910411
where:
bonds (distance) C4'-P energy: -152.794
bonds (distance) P-C4' energy: -146.098
flat angles C4'-P-C4' energy: -167.193
flat angles P-C4'-P energy: -111.431
tors. eta vs tors. theta energy: -237.395
Dist. restrs. and SS energy: 7.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2613.272024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.272024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.550061 (E_RNA)
where:
Base-Base interactions energy: -1844.839
where: short stacking energy: -780.786
Base-Backbone interact. energy: -1.283
local terms energy: -775.427662
where:
bonds (distance) C4'-P energy: -143.651
bonds (distance) P-C4' energy: -143.222
flat angles C4'-P-C4' energy: -154.229
flat angles P-C4'-P energy: -106.358
tors. eta vs tors. theta energy: -227.967
Dist. restrs. and SS energy: 8.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2484.164346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.164346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.840833 (E_RNA)
where:
Base-Base interactions energy: -1765.231
where: short stacking energy: -728.792
Base-Backbone interact. energy: -3.649
local terms energy: -726.961425
where:
bonds (distance) C4'-P energy: -131.429
bonds (distance) P-C4' energy: -130.041
flat angles C4'-P-C4' energy: -162.916
flat angles P-C4'-P energy: -103.512
tors. eta vs tors. theta energy: -199.064
Dist. restrs. and SS energy: 11.676 (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: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2482.146292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.146292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.082491 (E_RNA)
where:
Base-Base interactions energy: -1736.959
where: short stacking energy: -733.790
Base-Backbone interact. energy: 3.402
local terms energy: -753.524818
where:
bonds (distance) C4'-P energy: -129.210
bonds (distance) P-C4' energy: -147.027
flat angles C4'-P-C4' energy: -152.879
flat angles P-C4'-P energy: -100.445
tors. eta vs tors. theta energy: -223.964
Dist. restrs. and SS energy: 4.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2348.313854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.313854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.906963 (E_RNA)
where:
Base-Base interactions energy: -1639.439
where: short stacking energy: -706.572
Base-Backbone interact. energy: -2.732
local terms energy: -721.736721
where:
bonds (distance) C4'-P energy: -141.776
bonds (distance) P-C4' energy: -123.074
flat angles C4'-P-C4' energy: -154.066
flat angles P-C4'-P energy: -94.945
tors. eta vs tors. theta energy: -207.876
Dist. restrs. and SS energy: 15.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2230.391748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.391748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.471921 (E_RNA)
where:
Base-Base interactions energy: -1580.987
where: short stacking energy: -667.081
Base-Backbone interact. energy: -3.434
local terms energy: -665.050213
where:
bonds (distance) C4'-P energy: -122.127
bonds (distance) P-C4' energy: -110.638
flat angles C4'-P-C4' energy: -155.616
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -186.757
Dist. restrs. and SS energy: 19.080 (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: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2138.144663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.144663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.618912 (E_RNA)
where:
Base-Base interactions energy: -1538.777
where: short stacking energy: -639.359
Base-Backbone interact. energy: -1.578
local terms energy: -609.263958
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -101.222
flat angles C4'-P-C4' energy: -141.099
flat angles P-C4'-P energy: -85.489
tors. eta vs tors. theta energy: -172.193
Dist. restrs. and SS energy: 11.474 (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: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2107.903156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.903156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.559313 (E_RNA)
where:
Base-Base interactions energy: -1485.097
where: short stacking energy: -621.637
Base-Backbone interact. energy: -1.169
local terms energy: -639.292941
where:
bonds (distance) C4'-P energy: -115.670
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -140.875
flat angles P-C4'-P energy: -98.505
tors. eta vs tors. theta energy: -171.938
Dist. restrs. and SS energy: 17.656 (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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -2017.716119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.716119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.554821 (E_RNA)
where:
Base-Base interactions energy: -1435.272
where: short stacking energy: -579.022
Base-Backbone interact. energy: -2.668
local terms energy: -595.614540
where:
bonds (distance) C4'-P energy: -101.476
bonds (distance) P-C4' energy: -106.004
flat angles C4'-P-C4' energy: -148.583
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -171.918
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1884.552764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.552764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.749663 (E_RNA)
where:
Base-Base interactions energy: -1356.772
where: short stacking energy: -573.122
Base-Backbone interact. energy: -0.463
local terms energy: -560.514604
where:
bonds (distance) C4'-P energy: -104.480
bonds (distance) P-C4' energy: -122.378
flat angles C4'-P-C4' energy: -114.112
flat angles P-C4'-P energy: -70.620
tors. eta vs tors. theta energy: -148.924
Dist. restrs. and SS energy: 33.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2658.788482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.788482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.660411 (E_RNA)
where:
Base-Base interactions energy: -1868.374
where: short stacking energy: -771.049
Base-Backbone interact. energy: -1.395
local terms energy: -793.891974
where:
bonds (distance) C4'-P energy: -152.645
bonds (distance) P-C4' energy: -133.664
flat angles C4'-P-C4' energy: -178.989
flat angles P-C4'-P energy: -96.594
tors. eta vs tors. theta energy: -232.001
Dist. restrs. and SS energy: 4.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2647.471948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.471948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.746249 (E_RNA)
where:
Base-Base interactions energy: -1853.754
where: short stacking energy: -779.298
Base-Backbone interact. energy: -1.201
local terms energy: -798.791354
where:
bonds (distance) C4'-P energy: -139.487
bonds (distance) P-C4' energy: -148.885
flat angles C4'-P-C4' energy: -160.919
flat angles P-C4'-P energy: -119.119
tors. eta vs tors. theta energy: -230.383
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: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2483.704135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.704135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.259806 (E_RNA)
where:
Base-Base interactions energy: -1744.394
where: short stacking energy: -729.806
Base-Backbone interact. energy: -3.051
local terms energy: -745.814435
where:
bonds (distance) C4'-P energy: -132.206
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -164.853
flat angles P-C4'-P energy: -104.504
tors. eta vs tors. theta energy: -206.375
Dist. restrs. and SS energy: 9.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2451.053004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.053004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.534963 (E_RNA)
where:
Base-Base interactions energy: -1696.164
where: short stacking energy: -722.060
Base-Backbone interact. energy: -1.283
local terms energy: -759.088299
where:
bonds (distance) C4'-P energy: -132.896
bonds (distance) P-C4' energy: -147.368
flat angles C4'-P-C4' energy: -153.908
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -222.824
Dist. restrs. and SS energy: 5.482 (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: 65
Temperature: 1.100000
Total energy: -2348.691642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.691642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.657356 (E_RNA)
where:
Base-Base interactions energy: -1641.625
where: short stacking energy: -672.174
Base-Backbone interact. energy: -3.634
local terms energy: -722.397926
where:
bonds (distance) C4'-P energy: -135.542
bonds (distance) P-C4' energy: -130.014
flat angles C4'-P-C4' energy: -147.862
flat angles P-C4'-P energy: -97.788
tors. eta vs tors. theta energy: -211.192
Dist. restrs. and SS energy: 18.966 (S_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: 65
Temperature: 1.150000
Total energy: -2242.820420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.820420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.594907 (E_RNA)
where:
Base-Base interactions energy: -1603.600
where: short stacking energy: -685.564
Base-Backbone interact. energy: -2.772
local terms energy: -647.222848
where:
bonds (distance) C4'-P energy: -107.586
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -150.828
flat angles P-C4'-P energy: -89.001
tors. eta vs tors. theta energy: -189.735
Dist. restrs. and SS energy: 10.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2148.497689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.497689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.044168 (E_RNA)
where:
Base-Base interactions energy: -1527.184
where: short stacking energy: -638.581
Base-Backbone interact. energy: -0.819
local terms energy: -639.040928
where:
bonds (distance) C4'-P energy: -107.116
bonds (distance) P-C4' energy: -128.969
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -76.616
tors. eta vs tors. theta energy: -190.145
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: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2149.180965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.180965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.996042 (E_RNA)
where:
Base-Base interactions energy: -1532.609
where: short stacking energy: -624.723
Base-Backbone interact. energy: 2.413
local terms energy: -631.800266
where:
bonds (distance) C4'-P energy: -98.506
bonds (distance) P-C4' energy: -131.505
flat angles C4'-P-C4' energy: -149.307
flat angles P-C4'-P energy: -80.898
tors. eta vs tors. theta energy: -171.585
Dist. restrs. and SS energy: 12.815 (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: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1975.090629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.090629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.976066 (E_RNA)
where:
Base-Base interactions energy: -1357.516
where: short stacking energy: -597.282
Base-Backbone interact. energy: 0.285
local terms energy: -637.744839
where:
bonds (distance) C4'-P energy: -111.767
bonds (distance) P-C4' energy: -128.227
flat angles C4'-P-C4' energy: -135.619
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -172.864
Dist. restrs. and SS energy: 19.885 (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: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1820.500228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.500228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.090973 (E_RNA)
where:
Base-Base interactions energy: -1306.876
where: short stacking energy: -548.345
Base-Backbone interact. energy: 4.863
local terms energy: -540.078327
where:
bonds (distance) C4'-P energy: -90.251
bonds (distance) P-C4' energy: -124.398
flat angles C4'-P-C4' energy: -115.076
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -139.790
Dist. restrs. and SS energy: 21.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2680.349980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.349980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.063439 (E_RNA)
where:
Base-Base interactions energy: -1880.443
where: short stacking energy: -784.951
Base-Backbone interact. energy: -2.976
local terms energy: -802.644526
where:
bonds (distance) C4'-P energy: -143.291
bonds (distance) P-C4' energy: -155.597
flat angles C4'-P-C4' energy: -167.390
flat angles P-C4'-P energy: -108.670
tors. eta vs tors. theta energy: -227.696
Dist. restrs. and SS energy: 5.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2593.908166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.908166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.117776 (E_RNA)
where:
Base-Base interactions energy: -1823.639
where: short stacking energy: -764.268
Base-Backbone interact. energy: -0.389
local terms energy: -776.089613
where:
bonds (distance) C4'-P energy: -144.525
bonds (distance) P-C4' energy: -146.640
flat angles C4'-P-C4' energy: -144.752
flat angles P-C4'-P energy: -110.407
tors. eta vs tors. theta energy: -229.766
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: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2487.815374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.815374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.928486 (E_RNA)
where:
Base-Base interactions energy: -1741.438
where: short stacking energy: -728.727
Base-Backbone interact. energy: -1.898
local terms energy: -750.592737
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -143.829
flat angles C4'-P-C4' energy: -156.127
flat angles P-C4'-P energy: -93.242
tors. eta vs tors. theta energy: -220.287
Dist. restrs. and SS energy: 6.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2472.902221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.902221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.503704 (E_RNA)
where:
Base-Base interactions energy: -1708.470
where: short stacking energy: -738.806
Base-Backbone interact. energy: -1.823
local terms energy: -772.211348
where:
bonds (distance) C4'-P energy: -133.942
bonds (distance) P-C4' energy: -152.408
flat angles C4'-P-C4' energy: -155.360
flat angles P-C4'-P energy: -95.645
tors. eta vs tors. theta energy: -234.857
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: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2316.896601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.896601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.444894 (E_RNA)
where:
Base-Base interactions energy: -1584.326
where: short stacking energy: -655.414
Base-Backbone interact. energy: -0.465
local terms energy: -747.653582
where:
bonds (distance) C4'-P energy: -139.069
bonds (distance) P-C4' energy: -143.110
flat angles C4'-P-C4' energy: -160.296
flat angles P-C4'-P energy: -99.063
tors. eta vs tors. theta energy: -206.115
Dist. restrs. and SS energy: 15.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2276.339388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.339388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.100722 (E_RNA)
where:
Base-Base interactions energy: -1591.012
where: short stacking energy: -648.553
Base-Backbone interact. energy: 1.457
local terms energy: -694.545223
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -140.079
flat angles C4'-P-C4' energy: -147.313
flat angles P-C4'-P energy: -105.293
tors. eta vs tors. theta energy: -190.744
Dist. restrs. and SS energy: 7.761 (S_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: 66
Temperature: 1.200000
Total energy: -2229.006166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.006166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.672353 (E_RNA)
where:
Base-Base interactions energy: -1592.168
where: short stacking energy: -665.000
Base-Backbone interact. energy: -3.915
local terms energy: -640.589442
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -120.869
flat angles C4'-P-C4' energy: -148.750
flat angles P-C4'-P energy: -96.006
tors. eta vs tors. theta energy: -175.070
Dist. restrs. and SS energy: 7.666 (S_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: -2141.746003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.746003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.817824 (E_RNA)
where:
Base-Base interactions energy: -1504.433
where: short stacking energy: -604.973
Base-Backbone interact. energy: -1.452
local terms energy: -656.933195
where:
bonds (distance) C4'-P energy: -137.356
bonds (distance) P-C4' energy: -122.218
flat angles C4'-P-C4' energy: -139.365
flat angles P-C4'-P energy: -81.896
tors. eta vs tors. theta energy: -176.098
Dist. restrs. and SS energy: 21.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -2030.304827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.175875 (E_RNA)
where:
Base-Base interactions energy: -1436.314
where: short stacking energy: -591.894
Base-Backbone interact. energy: -3.099
local terms energy: -610.761919
where:
bonds (distance) C4'-P energy: -124.973
bonds (distance) P-C4' energy: -130.007
flat angles C4'-P-C4' energy: -126.626
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -155.574
Dist. restrs. and SS energy: 19.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1820.291315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.291315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.252711 (E_RNA)
where:
Base-Base interactions energy: -1309.452
where: short stacking energy: -538.691
Base-Backbone interact. energy: -2.151
local terms energy: -535.649726
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -90.650
flat angles C4'-P-C4' energy: -119.048
flat angles P-C4'-P energy: -73.812
tors. eta vs tors. theta energy: -133.479
Dist. restrs. and SS energy: 26.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2664.408969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.408969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.772557 (E_RNA)
where:
Base-Base interactions energy: -1862.620
where: short stacking energy: -789.296
Base-Backbone interact. energy: -1.285
local terms energy: -803.867987
where:
bonds (distance) C4'-P energy: -135.163
bonds (distance) P-C4' energy: -152.148
flat angles C4'-P-C4' energy: -175.585
flat angles P-C4'-P energy: -109.333
tors. eta vs tors. theta energy: -231.639
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2596.661280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.661280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.112190 (E_RNA)
where:
Base-Base interactions energy: -1810.697
where: short stacking energy: -767.438
Base-Backbone interact. energy: -2.880
local terms energy: -790.535249
where:
bonds (distance) C4'-P energy: -133.610
bonds (distance) P-C4' energy: -151.975
flat angles C4'-P-C4' energy: -169.766
flat angles P-C4'-P energy: -116.894
tors. eta vs tors. theta energy: -218.291
Dist. restrs. and SS energy: 7.451 (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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2491.557863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.557863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.508546 (E_RNA)
where:
Base-Base interactions energy: -1738.646
where: short stacking energy: -735.417
Base-Backbone interact. energy: -0.691
local terms energy: -759.171739
where:
bonds (distance) C4'-P energy: -136.915
bonds (distance) P-C4' energy: -148.805
flat angles C4'-P-C4' energy: -156.166
flat angles P-C4'-P energy: -99.893
tors. eta vs tors. theta energy: -217.393
Dist. restrs. and SS energy: 6.951 (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: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2483.121810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.121810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.982689 (E_RNA)
where:
Base-Base interactions energy: -1754.940
where: short stacking energy: -751.842
Base-Backbone interact. energy: 0.232
local terms energy: -741.274449
where:
bonds (distance) C4'-P energy: -138.343
bonds (distance) P-C4' energy: -139.670
flat angles C4'-P-C4' energy: -152.806
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -219.392
Dist. restrs. and SS energy: 12.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2319.080278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.080278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.440130 (E_RNA)
where:
Base-Base interactions energy: -1625.525
where: short stacking energy: -721.363
Base-Backbone interact. energy: 1.759
local terms energy: -717.674759
where:
bonds (distance) C4'-P energy: -135.259
bonds (distance) P-C4' energy: -125.248
flat angles C4'-P-C4' energy: -159.941
flat angles P-C4'-P energy: -89.944
tors. eta vs tors. theta energy: -207.283
Dist. restrs. and SS energy: 22.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2250.816312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.816312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.137802 (E_RNA)
where:
Base-Base interactions energy: -1544.924
where: short stacking energy: -639.486
Base-Backbone interact. energy: -1.017
local terms energy: -714.196409
where:
bonds (distance) C4'-P energy: -129.178
bonds (distance) P-C4' energy: -143.470
flat angles C4'-P-C4' energy: -159.841
flat angles P-C4'-P energy: -100.108
tors. eta vs tors. theta energy: -181.598
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: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2199.969939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.969939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.229325 (E_RNA)
where:
Base-Base interactions energy: -1571.053
where: short stacking energy: -651.828
Base-Backbone interact. energy: 1.639
local terms energy: -639.815589
where:
bonds (distance) C4'-P energy: -106.522
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -183.707
Dist. restrs. and SS energy: 9.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2104.204325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.204325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.597235 (E_RNA)
where:
Base-Base interactions energy: -1473.800
where: short stacking energy: -606.616
Base-Backbone interact. energy: -2.062
local terms energy: -644.735786
where:
bonds (distance) C4'-P energy: -110.489
bonds (distance) P-C4' energy: -111.548
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -105.676
tors. eta vs tors. theta energy: -178.772
Dist. restrs. and SS energy: 16.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -2016.833880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.833880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.906628 (E_RNA)
where:
Base-Base interactions energy: -1371.691
where: short stacking energy: -588.191
Base-Backbone interact. energy: -2.938
local terms energy: -659.276829
where:
bonds (distance) C4'-P energy: -140.723
bonds (distance) P-C4' energy: -127.276
flat angles C4'-P-C4' energy: -133.118
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -177.944
Dist. restrs. and SS energy: 17.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1856.932768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.932768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.233267 (E_RNA)
where:
Base-Base interactions energy: -1329.378
where: short stacking energy: -539.812
Base-Backbone interact. energy: -2.310
local terms energy: -553.544540
where:
bonds (distance) C4'-P energy: -126.710
bonds (distance) P-C4' energy: -108.309
flat angles C4'-P-C4' energy: -110.181
flat angles P-C4'-P energy: -62.335
tors. eta vs tors. theta energy: -146.009
Dist. restrs. and SS energy: 28.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2657.517212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.517212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.383859 (E_RNA)
where:
Base-Base interactions energy: -1852.931
where: short stacking energy: -786.464
Base-Backbone interact. energy: -4.178
local terms energy: -806.274086
where:
bonds (distance) C4'-P energy: -155.419
bonds (distance) P-C4' energy: -135.204
flat angles C4'-P-C4' energy: -175.317
flat angles P-C4'-P energy: -117.549
tors. eta vs tors. theta energy: -222.785
Dist. restrs. and SS energy: 5.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2588.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.778614 (E_RNA)
where:
Base-Base interactions energy: -1800.334
where: short stacking energy: -761.618
Base-Backbone interact. energy: -3.216
local terms energy: -789.228361
where:
bonds (distance) C4'-P energy: -147.904
bonds (distance) P-C4' energy: -134.754
flat angles C4'-P-C4' energy: -176.010
flat angles P-C4'-P energy: -107.183
tors. eta vs tors. theta energy: -223.377
Dist. restrs. and SS energy: 4.074 (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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2508.992683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.992683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.556829 (E_RNA)
where:
Base-Base interactions energy: -1780.407
where: short stacking energy: -737.555
Base-Backbone interact. energy: -1.526
local terms energy: -738.623908
where:
bonds (distance) C4'-P energy: -116.619
bonds (distance) P-C4' energy: -140.712
flat angles C4'-P-C4' energy: -164.048
flat angles P-C4'-P energy: -101.013
tors. eta vs tors. theta energy: -216.232
Dist. restrs. and SS energy: 11.564 (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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2448.708538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.708538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.781177 (E_RNA)
where:
Base-Base interactions energy: -1738.533
where: short stacking energy: -722.508
Base-Backbone interact. energy: -0.541
local terms energy: -718.706980
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -132.011
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -93.179
tors. eta vs tors. theta energy: -210.242
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2300.339355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.339355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.219812 (E_RNA)
where:
Base-Base interactions energy: -1622.007
where: short stacking energy: -665.488
Base-Backbone interact. energy: -1.029
local terms energy: -693.183478
where:
bonds (distance) C4'-P energy: -122.608
bonds (distance) P-C4' energy: -136.525
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -99.161
tors. eta vs tors. theta energy: -179.895
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: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2291.845690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.845690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.514116 (E_RNA)
where:
Base-Base interactions energy: -1593.652
where: short stacking energy: -678.990
Base-Backbone interact. energy: -3.800
local terms energy: -708.062795
where:
bonds (distance) C4'-P energy: -132.886
bonds (distance) P-C4' energy: -122.841
flat angles C4'-P-C4' energy: -162.709
flat angles P-C4'-P energy: -96.234
tors. eta vs tors. theta energy: -193.393
Dist. restrs. and SS energy: 13.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2205.213953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.213953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.623159 (E_RNA)
where:
Base-Base interactions energy: -1554.454
where: short stacking energy: -643.504
Base-Backbone interact. energy: 3.500
local terms energy: -662.669806
where:
bonds (distance) C4'-P energy: -136.229
bonds (distance) P-C4' energy: -119.787
flat angles C4'-P-C4' energy: -134.861
flat angles P-C4'-P energy: -87.769
tors. eta vs tors. theta energy: -184.025
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: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2150.278833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.278833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.742007 (E_RNA)
where:
Base-Base interactions energy: -1523.128
where: short stacking energy: -637.676
Base-Backbone interact. energy: 2.925
local terms energy: -649.539255
where:
bonds (distance) C4'-P energy: -130.672
bonds (distance) P-C4' energy: -105.062
flat angles C4'-P-C4' energy: -146.078
flat angles P-C4'-P energy: -82.216
tors. eta vs tors. theta energy: -185.512
Dist. restrs. and SS energy: 19.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -2041.411976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.411976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.154727 (E_RNA)
where:
Base-Base interactions energy: -1436.269
where: short stacking energy: -573.557
Base-Backbone interact. energy: -1.640
local terms energy: -628.245584
where:
bonds (distance) C4'-P energy: -103.074
bonds (distance) P-C4' energy: -137.608
flat angles C4'-P-C4' energy: -140.892
flat angles P-C4'-P energy: -71.819
tors. eta vs tors. theta energy: -174.852
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: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1821.885835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.885835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.126022 (E_RNA)
where:
Base-Base interactions energy: -1299.223
where: short stacking energy: -539.278
Base-Backbone interact. energy: 1.515
local terms energy: -556.417628
where:
bonds (distance) C4'-P energy: -115.784
bonds (distance) P-C4' energy: -129.436
flat angles C4'-P-C4' energy: -113.645
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -146.524
Dist. restrs. and SS energy: 32.240 (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: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2658.541675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.541675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.121805 (E_RNA)
where:
Base-Base interactions energy: -1839.326
where: short stacking energy: -769.906
Base-Backbone interact. energy: -0.655
local terms energy: -825.140405
where:
bonds (distance) C4'-P energy: -148.063
bonds (distance) P-C4' energy: -157.345
flat angles C4'-P-C4' energy: -165.497
flat angles P-C4'-P energy: -130.425
tors. eta vs tors. theta energy: -223.811
Dist. restrs. and SS energy: 6.580 (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: 69
Temperature: 0.950000
Total energy: -2593.163688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.163688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.810470 (E_RNA)
where:
Base-Base interactions energy: -1818.605
where: short stacking energy: -772.007
Base-Backbone interact. energy: -0.158
local terms energy: -780.047280
where:
bonds (distance) C4'-P energy: -132.054
bonds (distance) P-C4' energy: -137.132
flat angles C4'-P-C4' energy: -159.784
flat angles P-C4'-P energy: -116.253
tors. eta vs tors. theta energy: -234.824
Dist. restrs. and SS energy: 5.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2492.418507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.418507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.875816 (E_RNA)
where:
Base-Base interactions energy: -1752.492
where: short stacking energy: -722.649
Base-Backbone interact. energy: -3.072
local terms energy: -748.311855
where:
bonds (distance) C4'-P energy: -136.437
bonds (distance) P-C4' energy: -138.960
flat angles C4'-P-C4' energy: -152.577
flat angles P-C4'-P energy: -115.962
tors. eta vs tors. theta energy: -204.375
Dist. restrs. and SS energy: 11.457 (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: 69
Temperature: 1.050000
Total energy: -2461.722677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.722677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.942903 (E_RNA)
where:
Base-Base interactions energy: -1733.898
where: short stacking energy: -726.533
Base-Backbone interact. energy: -0.580
local terms energy: -736.464581
where:
bonds (distance) C4'-P energy: -124.107
bonds (distance) P-C4' energy: -147.709
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -102.433
tors. eta vs tors. theta energy: -208.158
Dist. restrs. and SS energy: 9.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2316.974358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.974358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.712470 (E_RNA)
where:
Base-Base interactions energy: -1653.509
where: short stacking energy: -719.885
Base-Backbone interact. energy: -2.024
local terms energy: -680.178935
where:
bonds (distance) C4'-P energy: -113.026
bonds (distance) P-C4' energy: -113.876
flat angles C4'-P-C4' energy: -154.788
flat angles P-C4'-P energy: -100.259
tors. eta vs tors. theta energy: -198.231
Dist. restrs. and SS energy: 18.738 (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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2292.905935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.905935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.886324 (E_RNA)
where:
Base-Base interactions energy: -1625.371
where: short stacking energy: -684.795
Base-Backbone interact. energy: -3.966
local terms energy: -680.549813
where:
bonds (distance) C4'-P energy: -110.042
bonds (distance) P-C4' energy: -128.187
flat angles C4'-P-C4' energy: -137.082
flat angles P-C4'-P energy: -105.086
tors. eta vs tors. theta energy: -200.154
Dist. restrs. and SS energy: 16.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2175.222304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.222304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.529199 (E_RNA)
where:
Base-Base interactions energy: -1496.236
where: short stacking energy: -651.377
Base-Backbone interact. energy: 0.576
local terms energy: -693.869268
where:
bonds (distance) C4'-P energy: -132.675
bonds (distance) P-C4' energy: -131.931
flat angles C4'-P-C4' energy: -147.196
flat angles P-C4'-P energy: -83.123
tors. eta vs tors. theta energy: -198.945
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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2151.571677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.571677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.914270 (E_RNA)
where:
Base-Base interactions energy: -1527.999
where: short stacking energy: -635.631
Base-Backbone interact. energy: -1.992
local terms energy: -635.923783
where:
bonds (distance) C4'-P energy: -105.333
bonds (distance) P-C4' energy: -115.194
flat angles C4'-P-C4' energy: -143.072
flat angles P-C4'-P energy: -98.556
tors. eta vs tors. theta energy: -173.770
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: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -2039.150042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.150042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.505410 (E_RNA)
where:
Base-Base interactions energy: -1440.754
where: short stacking energy: -610.596
Base-Backbone interact. energy: 2.949
local terms energy: -622.700638
where:
bonds (distance) C4'-P energy: -113.128
bonds (distance) P-C4' energy: -114.065
flat angles C4'-P-C4' energy: -143.516
flat angles P-C4'-P energy: -92.324
tors. eta vs tors. theta energy: -159.668
Dist. restrs. and SS energy: 21.355 (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: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1855.014537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.014537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.282088 (E_RNA)
where:
Base-Base interactions energy: -1314.303
where: short stacking energy: -538.843
Base-Backbone interact. energy: 2.593
local terms energy: -569.572216
where:
bonds (distance) C4'-P energy: -85.570
bonds (distance) P-C4' energy: -122.163
flat angles C4'-P-C4' energy: -132.876
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -142.000
Dist. restrs. and SS energy: 26.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2676.985570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.985570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.364597 (E_RNA)
where:
Base-Base interactions energy: -1900.952
where: short stacking energy: -805.114
Base-Backbone interact. energy: -0.170
local terms energy: -781.243043
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -164.376
flat angles P-C4'-P energy: -124.673
tors. eta vs tors. theta energy: -228.473
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: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2612.411591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.411591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.561442 (E_RNA)
where:
Base-Base interactions energy: -1814.275
where: short stacking energy: -780.011
Base-Backbone interact. energy: -3.390
local terms energy: -801.896546
where:
bonds (distance) C4'-P energy: -140.606
bonds (distance) P-C4' energy: -154.842
flat angles C4'-P-C4' energy: -161.102
flat angles P-C4'-P energy: -121.641
tors. eta vs tors. theta energy: -223.706
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: 70
Temperature: 1.000000
Total energy: -2513.093388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.093388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.653850 (E_RNA)
where:
Base-Base interactions energy: -1749.849
where: short stacking energy: -712.828
Base-Backbone interact. energy: -0.162
local terms energy: -768.642853
where:
bonds (distance) C4'-P energy: -139.301
bonds (distance) P-C4' energy: -146.742
flat angles C4'-P-C4' energy: -163.439
flat angles P-C4'-P energy: -91.330
tors. eta vs tors. theta energy: -227.830
Dist. restrs. and SS energy: 5.560 (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: 70
Temperature: 1.050000
Total energy: -2445.391483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.391483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.605573 (E_RNA)
where:
Base-Base interactions energy: -1715.532
where: short stacking energy: -722.183
Base-Backbone interact. energy: -3.087
local terms energy: -738.986676
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -127.716
flat angles C4'-P-C4' energy: -153.513
flat angles P-C4'-P energy: -103.494
tors. eta vs tors. theta energy: -219.621
Dist. restrs. and SS energy: 12.214 (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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2331.062880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.062880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.859854 (E_RNA)
where:
Base-Base interactions energy: -1645.197
where: short stacking energy: -677.012
Base-Backbone interact. energy: -2.603
local terms energy: -694.060007
where:
bonds (distance) C4'-P energy: -124.639
bonds (distance) P-C4' energy: -131.824
flat angles C4'-P-C4' energy: -156.066
flat angles P-C4'-P energy: -89.354
tors. eta vs tors. theta energy: -192.177
Dist. restrs. and SS energy: 10.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2266.834927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.834927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.664436 (E_RNA)
where:
Base-Base interactions energy: -1588.626
where: short stacking energy: -653.266
Base-Backbone interact. energy: -1.028
local terms energy: -693.010035
where:
bonds (distance) C4'-P energy: -127.270
bonds (distance) P-C4' energy: -113.057
flat angles C4'-P-C4' energy: -152.985
flat angles P-C4'-P energy: -109.157
tors. eta vs tors. theta energy: -190.540
Dist. restrs. and SS energy: 15.830 (S_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: 70
Temperature: 1.200000
Total energy: -2158.075208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.075208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.571969 (E_RNA)
where:
Base-Base interactions energy: -1526.306
where: short stacking energy: -646.510
Base-Backbone interact. energy: 2.399
local terms energy: -646.664675
where:
bonds (distance) C4'-P energy: -122.957
bonds (distance) P-C4' energy: -120.902
flat angles C4'-P-C4' energy: -142.888
flat angles P-C4'-P energy: -85.819
tors. eta vs tors. theta energy: -174.098
Dist. restrs. and SS energy: 12.497 (S_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: 70
Temperature: 1.250000
Total energy: -2155.714448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.714448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.139022 (E_RNA)
where:
Base-Base interactions energy: -1531.669
where: short stacking energy: -618.510
Base-Backbone interact. energy: -3.827
local terms energy: -632.642736
where:
bonds (distance) C4'-P energy: -118.223
bonds (distance) P-C4' energy: -117.616
flat angles C4'-P-C4' energy: -151.776
flat angles P-C4'-P energy: -68.105
tors. eta vs tors. theta energy: -176.922
Dist. restrs. and SS energy: 12.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1961.329736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.329736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.751647 (E_RNA)
where:
Base-Base interactions energy: -1385.130
where: short stacking energy: -556.875
Base-Backbone interact. energy: 1.148
local terms energy: -594.769339
where:
bonds (distance) C4'-P energy: -108.504
bonds (distance) P-C4' energy: -115.336
flat angles C4'-P-C4' energy: -141.673
flat angles P-C4'-P energy: -66.185
tors. eta vs tors. theta energy: -163.072
Dist. restrs. and SS energy: 17.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1970.414019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.414019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.341368 (E_RNA)
where:
Base-Base interactions energy: -1404.192
where: short stacking energy: -571.655
Base-Backbone interact. energy: -1.391
local terms energy: -581.759031
where:
bonds (distance) C4'-P energy: -103.768
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -132.279
flat angles P-C4'-P energy: -85.872
tors. eta vs tors. theta energy: -155.296
Dist. restrs. and SS energy: 16.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2675.236399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.236399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.107321 (E_RNA)
where:
Base-Base interactions energy: -1860.808
where: short stacking energy: -779.949
Base-Backbone interact. energy: -1.327
local terms energy: -821.972287
where:
bonds (distance) C4'-P energy: -146.864
bonds (distance) P-C4' energy: -147.649
flat angles C4'-P-C4' energy: -175.816
flat angles P-C4'-P energy: -114.489
tors. eta vs tors. theta energy: -237.154
Dist. restrs. and SS energy: 8.871 (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: 71
Temperature: 0.950000
Total energy: -2614.798747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.798747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.427071 (E_RNA)
where:
Base-Base interactions energy: -1847.539
where: short stacking energy: -783.536
Base-Backbone interact. energy: -2.512
local terms energy: -771.376084
where:
bonds (distance) C4'-P energy: -122.606
bonds (distance) P-C4' energy: -149.603
flat angles C4'-P-C4' energy: -168.296
flat angles P-C4'-P energy: -105.385
tors. eta vs tors. theta energy: -225.486
Dist. restrs. and SS energy: 6.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2569.901162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.901162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.994461 (E_RNA)
where:
Base-Base interactions energy: -1808.136
where: short stacking energy: -744.450
Base-Backbone interact. energy: -5.059
local terms energy: -763.799301
where:
bonds (distance) C4'-P energy: -135.775
bonds (distance) P-C4' energy: -139.033
flat angles C4'-P-C4' energy: -151.542
flat angles P-C4'-P energy: -110.350
tors. eta vs tors. theta energy: -227.098
Dist. restrs. and SS energy: 7.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2409.530026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.530026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.631801 (E_RNA)
where:
Base-Base interactions energy: -1682.881
where: short stacking energy: -713.892
Base-Backbone interact. energy: 1.347
local terms energy: -735.098286
where:
bonds (distance) C4'-P energy: -129.015
bonds (distance) P-C4' energy: -134.657
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -116.037
tors. eta vs tors. theta energy: -212.905
Dist. restrs. and SS energy: 7.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2351.455808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.455808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.369788 (E_RNA)
where:
Base-Base interactions energy: -1640.606
where: short stacking energy: -701.787
Base-Backbone interact. energy: -1.359
local terms energy: -720.405549
where:
bonds (distance) C4'-P energy: -135.530
bonds (distance) P-C4' energy: -127.466
flat angles C4'-P-C4' energy: -148.831
flat angles P-C4'-P energy: -105.584
tors. eta vs tors. theta energy: -202.995
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: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2248.239066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.239066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.090364 (E_RNA)
where:
Base-Base interactions energy: -1581.777
where: short stacking energy: -637.488
Base-Backbone interact. energy: -1.778
local terms energy: -675.535413
where:
bonds (distance) C4'-P energy: -128.592
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -136.823
flat angles P-C4'-P energy: -99.107
tors. eta vs tors. theta energy: -197.542
Dist. restrs. and SS energy: 10.851 (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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2204.587336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.587336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.300740 (E_RNA)
where:
Base-Base interactions energy: -1555.689
where: short stacking energy: -664.596
Base-Backbone interact. energy: 3.820
local terms energy: -666.431708
where:
bonds (distance) C4'-P energy: -112.533
bonds (distance) P-C4' energy: -125.974
flat angles C4'-P-C4' energy: -135.868
flat angles P-C4'-P energy: -92.871
tors. eta vs tors. theta energy: -199.186
Dist. restrs. and SS energy: 13.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2182.178027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.178027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.415938 (E_RNA)
where:
Base-Base interactions energy: -1525.748
where: short stacking energy: -607.966
Base-Backbone interact. energy: -0.269
local terms energy: -668.399407
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -134.810
flat angles C4'-P-C4' energy: -157.372
flat angles P-C4'-P energy: -65.075
tors. eta vs tors. theta energy: -196.472
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: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1948.523553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.523553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.533961 (E_RNA)
where:
Base-Base interactions energy: -1354.979
where: short stacking energy: -540.860
Base-Backbone interact. energy: 1.088
local terms energy: -611.642908
where:
bonds (distance) C4'-P energy: -120.245
bonds (distance) P-C4' energy: -122.349
flat angles C4'-P-C4' energy: -125.906
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -163.577
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: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1901.828550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.828550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.849098 (E_RNA)
where:
Base-Base interactions energy: -1320.876
where: short stacking energy: -568.832
Base-Backbone interact. energy: -1.685
local terms energy: -600.288070
where:
bonds (distance) C4'-P energy: -117.341
bonds (distance) P-C4' energy: -109.328
flat angles C4'-P-C4' energy: -129.482
flat angles P-C4'-P energy: -88.514
tors. eta vs tors. theta energy: -155.623
Dist. restrs. and SS energy: 21.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2710.590877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.590877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.346790 (E_RNA)
where:
Base-Base interactions energy: -1904.164
where: short stacking energy: -797.962
Base-Backbone interact. energy: -4.413
local terms energy: -807.770076
where:
bonds (distance) C4'-P energy: -145.399
bonds (distance) P-C4' energy: -146.345
flat angles C4'-P-C4' energy: -163.554
flat angles P-C4'-P energy: -124.876
tors. eta vs tors. theta energy: -227.595
Dist. restrs. and SS energy: 5.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2620.321901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.321901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.074836 (E_RNA)
where:
Base-Base interactions energy: -1834.862
where: short stacking energy: -777.032
Base-Backbone interact. energy: -4.661
local terms energy: -787.552052
where:
bonds (distance) C4'-P energy: -140.339
bonds (distance) P-C4' energy: -150.551
flat angles C4'-P-C4' energy: -153.911
flat angles P-C4'-P energy: -107.577
tors. eta vs tors. theta energy: -235.174
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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2571.110239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.110239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.594525 (E_RNA)
where:
Base-Base interactions energy: -1819.711
where: short stacking energy: -746.950
Base-Backbone interact. energy: -1.890
local terms energy: -753.993429
where:
bonds (distance) C4'-P energy: -134.778
bonds (distance) P-C4' energy: -132.688
flat angles C4'-P-C4' energy: -159.062
flat angles P-C4'-P energy: -99.438
tors. eta vs tors. theta energy: -228.027
Dist. restrs. and SS energy: 4.484 (S_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: -2412.935570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.935570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.848272 (E_RNA)
where:
Base-Base interactions energy: -1730.539
where: short stacking energy: -727.370
Base-Backbone interact. energy: -2.626
local terms energy: -687.683506
where:
bonds (distance) C4'-P energy: -122.604
bonds (distance) P-C4' energy: -118.659
flat angles C4'-P-C4' energy: -151.852
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -205.103
Dist. restrs. and SS energy: 7.913 (S_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: 72
Temperature: 1.100000
Total energy: -2404.173243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.173243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.098228 (E_RNA)
where:
Base-Base interactions energy: -1644.585
where: short stacking energy: -703.181
Base-Backbone interact. energy: -1.642
local terms energy: -766.871580
where:
bonds (distance) C4'-P energy: -138.454
bonds (distance) P-C4' energy: -150.790
flat angles C4'-P-C4' energy: -160.887
flat angles P-C4'-P energy: -107.768
tors. eta vs tors. theta energy: -208.973
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: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2242.893733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.893733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.842119 (E_RNA)
where:
Base-Base interactions energy: -1554.409
where: short stacking energy: -633.352
Base-Backbone interact. energy: -2.346
local terms energy: -692.087159
where:
bonds (distance) C4'-P energy: -127.791
bonds (distance) P-C4' energy: -134.846
flat angles C4'-P-C4' energy: -151.256
flat angles P-C4'-P energy: -109.494
tors. eta vs tors. theta energy: -168.700
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2193.376689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.376689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.529505 (E_RNA)
where:
Base-Base interactions energy: -1516.894
where: short stacking energy: -626.224
Base-Backbone interact. energy: -1.738
local terms energy: -687.898331
where:
bonds (distance) C4'-P energy: -120.661
bonds (distance) P-C4' energy: -147.129
flat angles C4'-P-C4' energy: -144.293
flat angles P-C4'-P energy: -85.487
tors. eta vs tors. theta energy: -190.329
Dist. restrs. and SS energy: 13.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2149.196926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.196926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.569993 (E_RNA)
where:
Base-Base interactions energy: -1508.772
where: short stacking energy: -619.883
Base-Backbone interact. energy: -1.599
local terms energy: -655.199168
where:
bonds (distance) C4'-P energy: -121.212
bonds (distance) P-C4' energy: -119.261
flat angles C4'-P-C4' energy: -131.005
flat angles P-C4'-P energy: -95.322
tors. eta vs tors. theta energy: -188.399
Dist. restrs. and SS energy: 16.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1971.079478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.079478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.849319 (E_RNA)
where:
Base-Base interactions energy: -1398.000
where: short stacking energy: -564.178
Base-Backbone interact. energy: -4.002
local terms energy: -582.847806
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -124.140
flat angles C4'-P-C4' energy: -120.976
flat angles P-C4'-P energy: -73.488
tors. eta vs tors. theta energy: -149.394
Dist. restrs. and SS energy: 13.770 (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: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1934.139189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.139189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.081074 (E_RNA)
where:
Base-Base interactions energy: -1376.469
where: short stacking energy: -553.506
Base-Backbone interact. energy: -1.267
local terms energy: -581.345162
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -92.374
flat angles C4'-P-C4' energy: -132.711
flat angles P-C4'-P energy: -79.812
tors. eta vs tors. theta energy: -165.647
Dist. restrs. and SS energy: 24.942 (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: 73
Temperature: 0.900000
Total energy: -2715.010622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.010622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.592251 (E_RNA)
where:
Base-Base interactions energy: -1896.432
where: short stacking energy: -790.161
Base-Backbone interact. energy: -4.276
local terms energy: -821.884551
where:
bonds (distance) C4'-P energy: -150.561
bonds (distance) P-C4' energy: -151.064
flat angles C4'-P-C4' energy: -169.351
flat angles P-C4'-P energy: -118.093
tors. eta vs tors. theta energy: -232.816
Dist. restrs. and SS energy: 7.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2636.960275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.960275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.272167 (E_RNA)
where:
Base-Base interactions energy: -1855.856
where: short stacking energy: -784.535
Base-Backbone interact. energy: -3.668
local terms energy: -783.747736
where:
bonds (distance) C4'-P energy: -143.108
bonds (distance) P-C4' energy: -133.657
flat angles C4'-P-C4' energy: -163.967
flat angles P-C4'-P energy: -108.911
tors. eta vs tors. theta energy: -234.106
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: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2568.056225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.056225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.746384 (E_RNA)
where:
Base-Base interactions energy: -1796.612
where: short stacking energy: -773.341
Base-Backbone interact. energy: 0.423
local terms energy: -777.556594
where:
bonds (distance) C4'-P energy: -146.436
bonds (distance) P-C4' energy: -141.762
flat angles C4'-P-C4' energy: -157.387
flat angles P-C4'-P energy: -104.954
tors. eta vs tors. theta energy: -227.017
Dist. restrs. and SS energy: 5.690 (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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2414.462062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.462062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.436638 (E_RNA)
where:
Base-Base interactions energy: -1670.706
where: short stacking energy: -708.097
Base-Backbone interact. energy: -3.600
local terms energy: -749.131173
where:
bonds (distance) C4'-P energy: -137.371
bonds (distance) P-C4' energy: -142.561
flat angles C4'-P-C4' energy: -148.595
flat angles P-C4'-P energy: -101.072
tors. eta vs tors. theta energy: -219.532
Dist. restrs. and SS energy: 8.975 (S_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: 73
Temperature: 1.100000
Total energy: -2427.818803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.818803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.422101 (E_RNA)
where:
Base-Base interactions energy: -1705.979
where: short stacking energy: -723.855
Base-Backbone interact. energy: -1.213
local terms energy: -732.230360
where:
bonds (distance) C4'-P energy: -140.595
bonds (distance) P-C4' energy: -120.861
flat angles C4'-P-C4' energy: -156.517
flat angles P-C4'-P energy: -95.217
tors. eta vs tors. theta energy: -219.041
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: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2301.445113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.445113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.246998 (E_RNA)
where:
Base-Base interactions energy: -1633.477
where: short stacking energy: -680.606
Base-Backbone interact. energy: -5.235
local terms energy: -673.535810
where:
bonds (distance) C4'-P energy: -135.056
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -145.322
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -186.646
Dist. restrs. and SS energy: 10.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2156.072144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.072144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.548668 (E_RNA)
where:
Base-Base interactions energy: -1525.387
where: short stacking energy: -624.995
Base-Backbone interact. energy: -1.079
local terms energy: -646.082946
where:
bonds (distance) C4'-P energy: -120.626
bonds (distance) P-C4' energy: -129.456
flat angles C4'-P-C4' energy: -146.395
flat angles P-C4'-P energy: -80.228
tors. eta vs tors. theta energy: -169.378
Dist. restrs. and SS energy: 16.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2181.871718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.871718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.839327 (E_RNA)
where:
Base-Base interactions energy: -1534.279
where: short stacking energy: -657.432
Base-Backbone interact. energy: 4.191
local terms energy: -669.751388
where:
bonds (distance) C4'-P energy: -115.510
bonds (distance) P-C4' energy: -120.284
flat angles C4'-P-C4' energy: -144.421
flat angles P-C4'-P energy: -84.159
tors. eta vs tors. theta energy: -205.377
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: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1993.588196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.588196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.683775 (E_RNA)
where:
Base-Base interactions energy: -1379.385
where: short stacking energy: -562.161
Base-Backbone interact. energy: -3.293
local terms energy: -630.005096
where:
bonds (distance) C4'-P energy: -122.052
bonds (distance) P-C4' energy: -122.393
flat angles C4'-P-C4' energy: -142.985
flat angles P-C4'-P energy: -80.257
tors. eta vs tors. theta energy: -162.318
Dist. restrs. and SS energy: 19.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1932.800884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.800884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.846217 (E_RNA)
where:
Base-Base interactions energy: -1406.485
where: short stacking energy: -565.072
Base-Backbone interact. energy: -0.753
local terms energy: -541.608688
where:
bonds (distance) C4'-P energy: -72.645
bonds (distance) P-C4' energy: -107.329
flat angles C4'-P-C4' energy: -109.160
flat angles P-C4'-P energy: -80.477
tors. eta vs tors. theta energy: -171.997
Dist. restrs. and SS energy: 16.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2696.506347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.506347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.304394 (E_RNA)
where:
Base-Base interactions energy: -1869.954
where: short stacking energy: -801.886
Base-Backbone interact. energy: -3.170
local terms energy: -830.180853
where:
bonds (distance) C4'-P energy: -148.920
bonds (distance) P-C4' energy: -154.826
flat angles C4'-P-C4' energy: -171.341
flat angles P-C4'-P energy: -117.837
tors. eta vs tors. theta energy: -237.257
Dist. restrs. and SS energy: 6.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2571.940812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.940812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.064756 (E_RNA)
where:
Base-Base interactions energy: -1794.181
where: short stacking energy: -734.457
Base-Backbone interact. energy: -0.546
local terms energy: -786.338607
where:
bonds (distance) C4'-P energy: -138.342
bonds (distance) P-C4' energy: -142.511
flat angles C4'-P-C4' energy: -180.072
flat angles P-C4'-P energy: -109.177
tors. eta vs tors. theta energy: -216.237
Dist. restrs. and SS energy: 9.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2586.060213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.060213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.688917 (E_RNA)
where:
Base-Base interactions energy: -1821.549
where: short stacking energy: -777.576
Base-Backbone interact. energy: -1.472
local terms energy: -770.668054
where:
bonds (distance) C4'-P energy: -128.036
bonds (distance) P-C4' energy: -144.485
flat angles C4'-P-C4' energy: -170.099
flat angles P-C4'-P energy: -101.618
tors. eta vs tors. theta energy: -226.430
Dist. restrs. and SS energy: 7.629 (S_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: -2400.918190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.918190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.003750 (E_RNA)
where:
Base-Base interactions energy: -1695.384
where: short stacking energy: -687.242
Base-Backbone interact. energy: -1.117
local terms energy: -715.503427
where:
bonds (distance) C4'-P energy: -119.194
bonds (distance) P-C4' energy: -145.870
flat angles C4'-P-C4' energy: -151.132
flat angles P-C4'-P energy: -107.270
tors. eta vs tors. theta energy: -192.036
Dist. restrs. and SS energy: 11.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2409.931182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.931182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.693730 (E_RNA)
where:
Base-Base interactions energy: -1710.966
where: short stacking energy: -732.751
Base-Backbone interact. energy: 1.165
local terms energy: -707.892039
where:
bonds (distance) C4'-P energy: -111.528
bonds (distance) P-C4' energy: -125.068
flat angles C4'-P-C4' energy: -162.347
flat angles P-C4'-P energy: -94.833
tors. eta vs tors. theta energy: -214.116
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: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2299.817303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.817303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.461491 (E_RNA)
where:
Base-Base interactions energy: -1617.090
where: short stacking energy: -669.795
Base-Backbone interact. energy: -1.725
local terms energy: -691.645987
where:
bonds (distance) C4'-P energy: -117.419
bonds (distance) P-C4' energy: -130.902
flat angles C4'-P-C4' energy: -159.254
flat angles P-C4'-P energy: -91.236
tors. eta vs tors. theta energy: -192.835
Dist. restrs. and SS energy: 10.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2146.640173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.640173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.949818 (E_RNA)
where:
Base-Base interactions energy: -1498.030
where: short stacking energy: -643.018
Base-Backbone interact. energy: -0.796
local terms energy: -665.123932
where:
bonds (distance) C4'-P energy: -132.689
bonds (distance) P-C4' energy: -123.423
flat angles C4'-P-C4' energy: -145.513
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -176.941
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: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2161.901755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.901755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.886603 (E_RNA)
where:
Base-Base interactions energy: -1520.590
where: short stacking energy: -630.551
Base-Backbone interact. energy: 1.129
local terms energy: -664.425792
where:
bonds (distance) C4'-P energy: -131.517
bonds (distance) P-C4' energy: -131.717
flat angles C4'-P-C4' energy: -138.972
flat angles P-C4'-P energy: -84.832
tors. eta vs tors. theta energy: -177.388
Dist. restrs. and SS energy: 21.985 (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: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -2027.080263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.080263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.608726 (E_RNA)
where:
Base-Base interactions energy: -1424.566
where: short stacking energy: -591.375
Base-Backbone interact. energy: -0.524
local terms energy: -618.519389
where:
bonds (distance) C4'-P energy: -105.423
bonds (distance) P-C4' energy: -103.586
flat angles C4'-P-C4' energy: -144.256
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -183.586
Dist. restrs. and SS energy: 16.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1854.499287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.499287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.301751 (E_RNA)
where:
Base-Base interactions energy: -1349.015
where: short stacking energy: -567.639
Base-Backbone interact. energy: 0.864
local terms energy: -534.150923
where:
bonds (distance) C4'-P energy: -94.135
bonds (distance) P-C4' energy: -108.861
flat angles C4'-P-C4' energy: -126.046
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -140.064
Dist. restrs. and SS energy: 27.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2711.676269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.676269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.678113 (E_RNA)
where:
Base-Base interactions energy: -1932.045
where: short stacking energy: -787.334
Base-Backbone interact. energy: -2.194
local terms energy: -781.439068
where:
bonds (distance) C4'-P energy: -126.180
bonds (distance) P-C4' energy: -139.431
flat angles C4'-P-C4' energy: -170.851
flat angles P-C4'-P energy: -105.313
tors. eta vs tors. theta energy: -239.665
Dist. restrs. and SS energy: 4.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2611.385353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.385353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.195570 (E_RNA)
where:
Base-Base interactions energy: -1821.296
where: short stacking energy: -773.330
Base-Backbone interact. energy: -3.634
local terms energy: -792.265628
where:
bonds (distance) C4'-P energy: -140.179
bonds (distance) P-C4' energy: -146.941
flat angles C4'-P-C4' energy: -168.971
flat angles P-C4'-P energy: -103.912
tors. eta vs tors. theta energy: -232.263
Dist. restrs. and SS energy: 5.810 (S_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: 75
Temperature: 1.000000
Total energy: -2565.797598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.797598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.332045 (E_RNA)
where:
Base-Base interactions energy: -1814.397
where: short stacking energy: -753.324
Base-Backbone interact. energy: -1.356
local terms energy: -754.578976
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -149.929
flat angles C4'-P-C4' energy: -162.267
flat angles P-C4'-P energy: -103.420
tors. eta vs tors. theta energy: -220.325
Dist. restrs. and SS energy: 4.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2459.427695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.427695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.583398 (E_RNA)
where:
Base-Base interactions energy: -1726.686
where: short stacking energy: -741.293
Base-Backbone interact. energy: -1.832
local terms energy: -738.066155
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -130.794
flat angles C4'-P-C4' energy: -154.592
flat angles P-C4'-P energy: -103.995
tors. eta vs tors. theta energy: -221.413
Dist. restrs. and SS energy: 7.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2430.400055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.400055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.083114 (E_RNA)
where:
Base-Base interactions energy: -1699.493
where: short stacking energy: -700.515
Base-Backbone interact. energy: -3.310
local terms energy: -738.280456
where:
bonds (distance) C4'-P energy: -134.024
bonds (distance) P-C4' energy: -134.542
flat angles C4'-P-C4' energy: -169.400
flat angles P-C4'-P energy: -100.789
tors. eta vs tors. theta energy: -199.525
Dist. restrs. and SS energy: 10.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2273.206242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.206242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.558054 (E_RNA)
where:
Base-Base interactions energy: -1613.180
where: short stacking energy: -678.436
Base-Backbone interact. energy: -0.373
local terms energy: -668.005453
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -119.874
flat angles C4'-P-C4' energy: -135.192
flat angles P-C4'-P energy: -98.088
tors. eta vs tors. theta energy: -203.062
Dist. restrs. and SS energy: 8.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2132.296951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.296951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.128932 (E_RNA)
where:
Base-Base interactions energy: -1533.769
where: short stacking energy: -649.314
Base-Backbone interact. energy: -1.544
local terms energy: -614.815565
where:
bonds (distance) C4'-P energy: -108.856
bonds (distance) P-C4' energy: -103.380
flat angles C4'-P-C4' energy: -140.379
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -178.863
Dist. restrs. and SS energy: 17.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2095.143287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.143287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.148588 (E_RNA)
where:
Base-Base interactions energy: -1481.844
where: short stacking energy: -639.897
Base-Backbone interact. energy: -3.395
local terms energy: -624.909889
where:
bonds (distance) C4'-P energy: -120.755
bonds (distance) P-C4' energy: -116.593
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -64.149
tors. eta vs tors. theta energy: -182.629
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: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1975.645109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.399345 (E_RNA)
where:
Base-Base interactions energy: -1387.807
where: short stacking energy: -586.334
Base-Backbone interact. energy: 0.629
local terms energy: -609.221341
where:
bonds (distance) C4'-P energy: -126.001
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -132.913
flat angles P-C4'-P energy: -74.691
tors. eta vs tors. theta energy: -163.057
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: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1848.308968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.308968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.017209 (E_RNA)
where:
Base-Base interactions energy: -1284.377
where: short stacking energy: -548.716
Base-Backbone interact. energy: -3.257
local terms energy: -582.382740
where:
bonds (distance) C4'-P energy: -96.106
bonds (distance) P-C4' energy: -122.499
flat angles C4'-P-C4' energy: -123.239
flat angles P-C4'-P energy: -79.081
tors. eta vs tors. theta energy: -161.458
Dist. restrs. and SS energy: 21.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2689.731528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.731528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.857266 (E_RNA)
where:
Base-Base interactions energy: -1889.282
where: short stacking energy: -782.888
Base-Backbone interact. energy: -1.761
local terms energy: -805.813723
where:
bonds (distance) C4'-P energy: -144.714
bonds (distance) P-C4' energy: -151.035
flat angles C4'-P-C4' energy: -170.343
flat angles P-C4'-P energy: -111.738
tors. eta vs tors. theta energy: -227.984
Dist. restrs. and SS energy: 7.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2610.654203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.654203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.233472 (E_RNA)
where:
Base-Base interactions energy: -1833.306
where: short stacking energy: -772.332
Base-Backbone interact. energy: -2.089
local terms energy: -778.838699
where:
bonds (distance) C4'-P energy: -147.860
bonds (distance) P-C4' energy: -128.232
flat angles C4'-P-C4' energy: -165.054
flat angles P-C4'-P energy: -105.583
tors. eta vs tors. theta energy: -232.109
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: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2581.868220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.868220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.897619 (E_RNA)
where:
Base-Base interactions energy: -1807.621
where: short stacking energy: -767.486
Base-Backbone interact. energy: -1.661
local terms energy: -781.615610
where:
bonds (distance) C4'-P energy: -140.253
bonds (distance) P-C4' energy: -137.215
flat angles C4'-P-C4' energy: -160.089
flat angles P-C4'-P energy: -118.543
tors. eta vs tors. theta energy: -225.515
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: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2454.546904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.546904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.401384 (E_RNA)
where:
Base-Base interactions energy: -1724.274
where: short stacking energy: -718.294
Base-Backbone interact. energy: -0.456
local terms energy: -735.671677
where:
bonds (distance) C4'-P energy: -115.754
bonds (distance) P-C4' energy: -126.259
flat angles C4'-P-C4' energy: -167.245
flat angles P-C4'-P energy: -116.482
tors. eta vs tors. theta energy: -209.931
Dist. restrs. and SS energy: 5.854 (S_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: 76
Temperature: 1.100000
Total energy: -2312.209662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.209662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.708372 (E_RNA)
where:
Base-Base interactions energy: -1624.923
where: short stacking energy: -691.033
Base-Backbone interact. energy: -2.114
local terms energy: -696.671694
where:
bonds (distance) C4'-P energy: -115.961
bonds (distance) P-C4' energy: -132.769
flat angles C4'-P-C4' energy: -146.912
flat angles P-C4'-P energy: -102.385
tors. eta vs tors. theta energy: -198.645
Dist. restrs. and SS energy: 11.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2284.992694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.992694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.684589 (E_RNA)
where:
Base-Base interactions energy: -1587.037
where: short stacking energy: -663.604
Base-Backbone interact. energy: -2.375
local terms energy: -706.273230
where:
bonds (distance) C4'-P energy: -141.729
bonds (distance) P-C4' energy: -124.910
flat angles C4'-P-C4' energy: -143.474
flat angles P-C4'-P energy: -93.088
tors. eta vs tors. theta energy: -203.072
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: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2226.043451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.043451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.481636 (E_RNA)
where:
Base-Base interactions energy: -1551.464
where: short stacking energy: -649.694
Base-Backbone interact. energy: -3.332
local terms energy: -686.685140
where:
bonds (distance) C4'-P energy: -132.084
bonds (distance) P-C4' energy: -122.756
flat angles C4'-P-C4' energy: -148.181
flat angles P-C4'-P energy: -82.839
tors. eta vs tors. theta energy: -200.825
Dist. restrs. and SS energy: 15.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2096.589691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.589691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.731603 (E_RNA)
where:
Base-Base interactions energy: -1509.610
where: short stacking energy: -648.295
Base-Backbone interact. energy: -3.408
local terms energy: -603.714264
where:
bonds (distance) C4'-P energy: -99.122
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -140.246
flat angles P-C4'-P energy: -69.925
tors. eta vs tors. theta energy: -182.956
Dist. restrs. and SS energy: 20.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1930.981194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.981194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.401025 (E_RNA)
where:
Base-Base interactions energy: -1358.263
where: short stacking energy: -543.796
Base-Backbone interact. energy: 0.149
local terms energy: -604.287776
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -128.427
flat angles C4'-P-C4' energy: -139.461
flat angles P-C4'-P energy: -78.297
tors. eta vs tors. theta energy: -152.719
Dist. restrs. and SS energy: 31.420 (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: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1933.802891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.802891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.071849 (E_RNA)
where:
Base-Base interactions energy: -1371.167
where: short stacking energy: -565.379
Base-Backbone interact. energy: -0.524
local terms energy: -594.380835
where:
bonds (distance) C4'-P energy: -117.906
bonds (distance) P-C4' energy: -109.279
flat angles C4'-P-C4' energy: -136.692
flat angles P-C4'-P energy: -72.483
tors. eta vs tors. theta energy: -158.021
Dist. restrs. and SS energy: 32.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2694.906211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.906211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.598385 (E_RNA)
where:
Base-Base interactions energy: -1889.671
where: short stacking energy: -808.076
Base-Backbone interact. energy: -3.174
local terms energy: -809.753088
where:
bonds (distance) C4'-P energy: -134.128
bonds (distance) P-C4' energy: -142.329
flat angles C4'-P-C4' energy: -175.547
flat angles P-C4'-P energy: -124.576
tors. eta vs tors. theta energy: -233.174
Dist. restrs. and SS energy: 7.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2620.256415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.256415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.942681 (E_RNA)
where:
Base-Base interactions energy: -1817.436
where: short stacking energy: -798.099
Base-Backbone interact. energy: -3.435
local terms energy: -807.071713
where:
bonds (distance) C4'-P energy: -149.423
bonds (distance) P-C4' energy: -153.887
flat angles C4'-P-C4' energy: -153.029
flat angles P-C4'-P energy: -115.375
tors. eta vs tors. theta energy: -235.357
Dist. restrs. and SS energy: 7.686 (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: 77
Temperature: 1.000000
Total energy: -2533.586773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.586773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.658469 (E_RNA)
where:
Base-Base interactions energy: -1766.472
where: short stacking energy: -719.828
Base-Backbone interact. energy: -2.526
local terms energy: -769.660299
where:
bonds (distance) C4'-P energy: -139.930
bonds (distance) P-C4' energy: -143.339
flat angles C4'-P-C4' energy: -158.258
flat angles P-C4'-P energy: -107.075
tors. eta vs tors. theta energy: -221.059
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2482.999825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.999825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.525663 (E_RNA)
where:
Base-Base interactions energy: -1724.850
where: short stacking energy: -744.368
Base-Backbone interact. energy: -2.070
local terms energy: -765.606288
where:
bonds (distance) C4'-P energy: -138.528
bonds (distance) P-C4' energy: -140.631
flat angles C4'-P-C4' energy: -163.529
flat angles P-C4'-P energy: -98.771
tors. eta vs tors. theta energy: -224.148
Dist. restrs. and SS energy: 9.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2343.325654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.325654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.172411 (E_RNA)
where:
Base-Base interactions energy: -1633.192
where: short stacking energy: -680.114
Base-Backbone interact. energy: -2.176
local terms energy: -716.804727
where:
bonds (distance) C4'-P energy: -136.792
bonds (distance) P-C4' energy: -133.217
flat angles C4'-P-C4' energy: -159.397
flat angles P-C4'-P energy: -91.647
tors. eta vs tors. theta energy: -195.751
Dist. restrs. and SS energy: 8.847 (S_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: 77
Temperature: 1.150000
Total energy: -2351.986087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.986087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.216198 (E_RNA)
where:
Base-Base interactions energy: -1656.597
where: short stacking energy: -705.350
Base-Backbone interact. energy: -4.831
local terms energy: -696.788131
where:
bonds (distance) C4'-P energy: -110.546
bonds (distance) P-C4' energy: -120.677
flat angles C4'-P-C4' energy: -149.173
flat angles P-C4'-P energy: -105.821
tors. eta vs tors. theta energy: -210.571
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: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2269.459857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.459857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.917887 (E_RNA)
where:
Base-Base interactions energy: -1573.272
where: short stacking energy: -651.900
Base-Backbone interact. energy: -3.611
local terms energy: -707.035507
where:
bonds (distance) C4'-P energy: -131.207
bonds (distance) P-C4' energy: -128.113
flat angles C4'-P-C4' energy: -158.465
flat angles P-C4'-P energy: -98.963
tors. eta vs tors. theta energy: -190.287
Dist. restrs. and SS energy: 14.458 (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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2115.683768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.683768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.878981 (E_RNA)
where:
Base-Base interactions energy: -1484.622
where: short stacking energy: -631.627
Base-Backbone interact. energy: -2.002
local terms energy: -645.255013
where:
bonds (distance) C4'-P energy: -114.682
bonds (distance) P-C4' energy: -135.410
flat angles C4'-P-C4' energy: -140.842
flat angles P-C4'-P energy: -67.808
tors. eta vs tors. theta energy: -186.514
Dist. restrs. and SS energy: 16.195 (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: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1933.107111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.107111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.548965 (E_RNA)
where:
Base-Base interactions energy: -1354.353
where: short stacking energy: -538.821
Base-Backbone interact. energy: -2.467
local terms energy: -607.729384
where:
bonds (distance) C4'-P energy: -121.169
bonds (distance) P-C4' energy: -110.776
flat angles C4'-P-C4' energy: -142.932
flat angles P-C4'-P energy: -71.564
tors. eta vs tors. theta energy: -161.288
Dist. restrs. and SS energy: 31.442 (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: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1981.748987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.748987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.488016 (E_RNA)
where:
Base-Base interactions energy: -1406.642
where: short stacking energy: -572.271
Base-Backbone interact. energy: -2.076
local terms energy: -593.770505
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -128.397
flat angles P-C4'-P energy: -70.154
tors. eta vs tors. theta energy: -158.591
Dist. restrs. and SS energy: 20.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2704.751044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.751044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.634270 (E_RNA)
where:
Base-Base interactions energy: -1910.019
where: short stacking energy: -776.112
Base-Backbone interact. energy: -1.830
local terms energy: -800.784593
where:
bonds (distance) C4'-P energy: -140.168
bonds (distance) P-C4' energy: -153.002
flat angles C4'-P-C4' energy: -162.276
flat angles P-C4'-P energy: -112.208
tors. eta vs tors. theta energy: -233.131
Dist. restrs. and SS energy: 7.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2628.394629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.394629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.306934 (E_RNA)
where:
Base-Base interactions energy: -1863.220
where: short stacking energy: -806.814
Base-Backbone interact. energy: -2.366
local terms energy: -774.720634
where:
bonds (distance) C4'-P energy: -127.954
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -163.528
flat angles P-C4'-P energy: -103.344
tors. eta vs tors. theta energy: -233.115
Dist. restrs. and SS energy: 11.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2522.164700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.164700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.190334 (E_RNA)
where:
Base-Base interactions energy: -1751.941
where: short stacking energy: -727.326
Base-Backbone interact. energy: -2.272
local terms energy: -774.977525
where:
bonds (distance) C4'-P energy: -146.659
bonds (distance) P-C4' energy: -145.060
flat angles C4'-P-C4' energy: -159.966
flat angles P-C4'-P energy: -100.244
tors. eta vs tors. theta energy: -223.049
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2491.783113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.783113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.870449 (E_RNA)
where:
Base-Base interactions energy: -1734.843
where: short stacking energy: -718.377
Base-Backbone interact. energy: 2.238
local terms energy: -765.266238
where:
bonds (distance) C4'-P energy: -131.983
bonds (distance) P-C4' energy: -145.846
flat angles C4'-P-C4' energy: -158.136
flat angles P-C4'-P energy: -111.321
tors. eta vs tors. theta energy: -217.980
Dist. restrs. and SS energy: 6.087 (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: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2358.686485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.686485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.693461 (E_RNA)
where:
Base-Base interactions energy: -1654.382
where: short stacking energy: -710.900
Base-Backbone interact. energy: 1.024
local terms energy: -711.335368
where:
bonds (distance) C4'-P energy: -128.090
bonds (distance) P-C4' energy: -124.723
flat angles C4'-P-C4' energy: -148.860
flat angles P-C4'-P energy: -94.016
tors. eta vs tors. theta energy: -215.646
Dist. restrs. and SS energy: 6.007 (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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2292.452203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.452203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.683638 (E_RNA)
where:
Base-Base interactions energy: -1622.102
where: short stacking energy: -684.667
Base-Backbone interact. energy: -4.707
local terms energy: -680.874492
where:
bonds (distance) C4'-P energy: -127.651
bonds (distance) P-C4' energy: -123.051
flat angles C4'-P-C4' energy: -137.606
flat angles P-C4'-P energy: -105.122
tors. eta vs tors. theta energy: -187.444
Dist. restrs. and SS energy: 15.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2192.500948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.500948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.455048 (E_RNA)
where:
Base-Base interactions energy: -1540.386
where: short stacking energy: -634.827
Base-Backbone interact. energy: 4.677
local terms energy: -672.745782
where:
bonds (distance) C4'-P energy: -119.181
bonds (distance) P-C4' energy: -119.545
flat angles C4'-P-C4' energy: -151.961
flat angles P-C4'-P energy: -103.586
tors. eta vs tors. theta energy: -178.473
Dist. restrs. and SS energy: 15.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2175.187861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.187861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.188148 (E_RNA)
where:
Base-Base interactions energy: -1510.783
where: short stacking energy: -648.545
Base-Backbone interact. energy: -3.046
local terms energy: -673.359604
where:
bonds (distance) C4'-P energy: -109.337
bonds (distance) P-C4' energy: -136.057
flat angles C4'-P-C4' energy: -145.164
flat angles P-C4'-P energy: -82.553
tors. eta vs tors. theta energy: -200.248
Dist. restrs. and SS energy: 12.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -2060.173163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.173163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.248747 (E_RNA)
where:
Base-Base interactions energy: -1449.622
where: short stacking energy: -604.935
Base-Backbone interact. energy: 0.379
local terms energy: -630.005183
where:
bonds (distance) C4'-P energy: -100.664
bonds (distance) P-C4' energy: -116.899
flat angles C4'-P-C4' energy: -137.965
flat angles P-C4'-P energy: -98.626
tors. eta vs tors. theta energy: -175.851
Dist. restrs. and SS energy: 19.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1833.936878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.936878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.805548 (E_RNA)
where:
Base-Base interactions energy: -1285.220
where: short stacking energy: -548.773
Base-Backbone interact. energy: -0.312
local terms energy: -577.273070
where:
bonds (distance) C4'-P energy: -112.550
bonds (distance) P-C4' energy: -128.521
flat angles C4'-P-C4' energy: -127.377
flat angles P-C4'-P energy: -64.263
tors. eta vs tors. theta energy: -144.562
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: 79
Temperature: 0.900000
Total energy: -2726.923288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.923288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.023464 (E_RNA)
where:
Base-Base interactions energy: -1910.892
where: short stacking energy: -798.274
Base-Backbone interact. energy: 0.098
local terms energy: -820.229015
where:
bonds (distance) C4'-P energy: -156.461
bonds (distance) P-C4' energy: -145.361
flat angles C4'-P-C4' energy: -172.818
flat angles P-C4'-P energy: -114.212
tors. eta vs tors. theta energy: -231.378
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: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2625.128852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.128852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.106137 (E_RNA)
where:
Base-Base interactions energy: -1838.029
where: short stacking energy: -781.419
Base-Backbone interact. energy: -1.932
local terms energy: -794.144337
where:
bonds (distance) C4'-P energy: -132.358
bonds (distance) P-C4' energy: -141.126
flat angles C4'-P-C4' energy: -161.155
flat angles P-C4'-P energy: -118.966
tors. eta vs tors. theta energy: -240.540
Dist. restrs. and SS energy: 8.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2533.491744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.491744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.561717 (E_RNA)
where:
Base-Base interactions energy: -1754.911
where: short stacking energy: -727.804
Base-Backbone interact. energy: -3.655
local terms energy: -783.996173
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -141.033
flat angles C4'-P-C4' energy: -165.958
flat angles P-C4'-P energy: -117.648
tors. eta vs tors. theta energy: -215.563
Dist. restrs. and SS energy: 9.070 (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: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2502.566235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.566235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.795788 (E_RNA)
where:
Base-Base interactions energy: -1746.045
where: short stacking energy: -733.286
Base-Backbone interact. energy: -1.201
local terms energy: -760.549470
where:
bonds (distance) C4'-P energy: -133.729
bonds (distance) P-C4' energy: -139.546
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -117.666
tors. eta vs tors. theta energy: -217.663
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2379.570548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.570548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.214371 (E_RNA)
where:
Base-Base interactions energy: -1671.739
where: short stacking energy: -727.614
Base-Backbone interact. energy: -2.914
local terms energy: -710.561537
where:
bonds (distance) C4'-P energy: -111.928
bonds (distance) P-C4' energy: -128.136
flat angles C4'-P-C4' energy: -148.519
flat angles P-C4'-P energy: -101.669
tors. eta vs tors. theta energy: -220.309
Dist. restrs. and SS energy: 5.644 (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: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2240.907589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.907589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.025786 (E_RNA)
where:
Base-Base interactions energy: -1602.557
where: short stacking energy: -671.436
Base-Backbone interact. energy: 0.440
local terms energy: -655.908302
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -113.954
flat angles C4'-P-C4' energy: -141.242
flat angles P-C4'-P energy: -113.494
tors. eta vs tors. theta energy: -186.371
Dist. restrs. and SS energy: 17.118 (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: 79
Temperature: 1.200000
Total energy: -2174.702943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.702943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.652423 (E_RNA)
where:
Base-Base interactions energy: -1510.265
where: short stacking energy: -628.994
Base-Backbone interact. energy: -2.629
local terms energy: -681.758107
where:
bonds (distance) C4'-P energy: -129.938
bonds (distance) P-C4' energy: -133.768
flat angles C4'-P-C4' energy: -143.543
flat angles P-C4'-P energy: -82.964
tors. eta vs tors. theta energy: -191.545
Dist. restrs. and SS energy: 19.949 (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: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2191.893100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.893100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.337804 (E_RNA)
where:
Base-Base interactions energy: -1561.063
where: short stacking energy: -641.853
Base-Backbone interact. energy: -2.230
local terms energy: -641.044205
where:
bonds (distance) C4'-P energy: -114.748
bonds (distance) P-C4' energy: -94.408
flat angles C4'-P-C4' energy: -152.466
flat angles P-C4'-P energy: -97.879
tors. eta vs tors. theta energy: -181.543
Dist. restrs. and SS energy: 12.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -2100.699858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.390572 (E_RNA)
where:
Base-Base interactions energy: -1467.094
where: short stacking energy: -622.811
Base-Backbone interact. energy: -1.653
local terms energy: -646.644388
where:
bonds (distance) C4'-P energy: -121.724
bonds (distance) P-C4' energy: -111.118
flat angles C4'-P-C4' energy: -142.122
flat angles P-C4'-P energy: -81.676
tors. eta vs tors. theta energy: -190.004
Dist. restrs. and SS energy: 14.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1884.626150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.626150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.643586 (E_RNA)
where:
Base-Base interactions energy: -1345.786
where: short stacking energy: -574.184
Base-Backbone interact. energy: 3.513
local terms energy: -565.369767
where:
bonds (distance) C4'-P energy: -99.712
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -129.028
flat angles P-C4'-P energy: -73.148
tors. eta vs tors. theta energy: -164.952
Dist. restrs. and SS energy: 23.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2697.992346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.992346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.122469 (E_RNA)
where:
Base-Base interactions energy: -1883.371
where: short stacking energy: -787.194
Base-Backbone interact. energy: -4.249
local terms energy: -816.502878
where:
bonds (distance) C4'-P energy: -139.286
bonds (distance) P-C4' energy: -143.124
flat angles C4'-P-C4' energy: -176.980
flat angles P-C4'-P energy: -118.104
tors. eta vs tors. theta energy: -239.009
Dist. restrs. and SS energy: 6.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2623.954638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.954638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.533280 (E_RNA)
where:
Base-Base interactions energy: -1851.717
where: short stacking energy: -795.788
Base-Backbone interact. energy: -4.763
local terms energy: -774.052457
where:
bonds (distance) C4'-P energy: -141.810
bonds (distance) P-C4' energy: -135.346
flat angles C4'-P-C4' energy: -159.757
flat angles P-C4'-P energy: -108.310
tors. eta vs tors. theta energy: -228.830
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: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2577.799174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.799174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.381423 (E_RNA)
where:
Base-Base interactions energy: -1796.658
where: short stacking energy: -768.159
Base-Backbone interact. energy: -0.960
local terms energy: -784.762924
where:
bonds (distance) C4'-P energy: -128.482
bonds (distance) P-C4' energy: -137.714
flat angles C4'-P-C4' energy: -168.410
flat angles P-C4'-P energy: -119.934
tors. eta vs tors. theta energy: -230.223
Dist. restrs. and SS energy: 4.582 (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: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2471.033323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.033323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.087880 (E_RNA)
where:
Base-Base interactions energy: -1731.353
where: short stacking energy: -738.371
Base-Backbone interact. energy: -4.374
local terms energy: -742.360719
where:
bonds (distance) C4'-P energy: -117.422
bonds (distance) P-C4' energy: -133.048
flat angles C4'-P-C4' energy: -158.251
flat angles P-C4'-P energy: -118.972
tors. eta vs tors. theta energy: -214.668
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: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2401.018520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.018520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.828731 (E_RNA)
where:
Base-Base interactions energy: -1671.951
where: short stacking energy: -723.982
Base-Backbone interact. energy: -1.907
local terms energy: -731.970745
where:
bonds (distance) C4'-P energy: -122.296
bonds (distance) P-C4' energy: -125.784
flat angles C4'-P-C4' energy: -157.140
flat angles P-C4'-P energy: -107.918
tors. eta vs tors. theta energy: -218.834
Dist. restrs. and SS energy: 4.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2259.671325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.671325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.574756 (E_RNA)
where:
Base-Base interactions energy: -1605.562
where: short stacking energy: -666.583
Base-Backbone interact. energy: -0.286
local terms energy: -675.726322
where:
bonds (distance) C4'-P energy: -120.893
bonds (distance) P-C4' energy: -131.945
flat angles C4'-P-C4' energy: -153.966
flat angles P-C4'-P energy: -91.565
tors. eta vs tors. theta energy: -177.357
Dist. restrs. and SS energy: 21.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2213.496322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.496322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.249762 (E_RNA)
where:
Base-Base interactions energy: -1587.952
where: short stacking energy: -649.590
Base-Backbone interact. energy: 4.961
local terms energy: -653.258783
where:
bonds (distance) C4'-P energy: -113.116
bonds (distance) P-C4' energy: -127.360
flat angles C4'-P-C4' energy: -133.983
flat angles P-C4'-P energy: -95.221
tors. eta vs tors. theta energy: -183.579
Dist. restrs. and SS energy: 22.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2160.373248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.373248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.896185 (E_RNA)
where:
Base-Base interactions energy: -1516.469
where: short stacking energy: -643.490
Base-Backbone interact. energy: -0.591
local terms energy: -656.836073
where:
bonds (distance) C4'-P energy: -103.916
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -141.256
flat angles P-C4'-P energy: -99.200
tors. eta vs tors. theta energy: -193.632
Dist. restrs. and SS energy: 13.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -2063.993345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.993345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.413454 (E_RNA)
where:
Base-Base interactions energy: -1452.814
where: short stacking energy: -587.738
Base-Backbone interact. energy: 1.192
local terms energy: -628.791007
where:
bonds (distance) C4'-P energy: -117.787
bonds (distance) P-C4' energy: -104.997
flat angles C4'-P-C4' energy: -151.799
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -174.011
Dist. restrs. and SS energy: 16.420 (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: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1917.654320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.654320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.841324 (E_RNA)
where:
Base-Base interactions energy: -1347.476
where: short stacking energy: -576.971
Base-Backbone interact. energy: -2.444
local terms energy: -590.921781
where:
bonds (distance) C4'-P energy: -97.993
bonds (distance) P-C4' energy: -107.953
flat angles C4'-P-C4' energy: -141.873
flat angles P-C4'-P energy: -75.219
tors. eta vs tors. theta energy: -167.883
Dist. restrs. and SS energy: 23.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2694.123299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.123299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.611049 (E_RNA)
where:
Base-Base interactions energy: -1895.538
where: short stacking energy: -795.933
Base-Backbone interact. energy: -0.916
local terms energy: -802.157359
where:
bonds (distance) C4'-P energy: -144.183
bonds (distance) P-C4' energy: -141.810
flat angles C4'-P-C4' energy: -167.210
flat angles P-C4'-P energy: -115.567
tors. eta vs tors. theta energy: -233.388
Dist. restrs. and SS energy: 4.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2610.937798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.937798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.836306 (E_RNA)
where:
Base-Base interactions energy: -1811.041
where: short stacking energy: -792.507
Base-Backbone interact. energy: -2.191
local terms energy: -804.604651
where:
bonds (distance) C4'-P energy: -150.706
bonds (distance) P-C4' energy: -148.358
flat angles C4'-P-C4' energy: -158.484
flat angles P-C4'-P energy: -116.139
tors. eta vs tors. theta energy: -230.917
Dist. restrs. and SS energy: 6.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2545.755187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.755187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.534426 (E_RNA)
where:
Base-Base interactions energy: -1784.357
where: short stacking energy: -757.983
Base-Backbone interact. energy: -4.531
local terms energy: -765.646020
where:
bonds (distance) C4'-P energy: -136.306
bonds (distance) P-C4' energy: -132.203
flat angles C4'-P-C4' energy: -149.839
flat angles P-C4'-P energy: -118.431
tors. eta vs tors. theta energy: -228.867
Dist. restrs. and SS energy: 8.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2472.485919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.485919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.530633 (E_RNA)
where:
Base-Base interactions energy: -1732.538
where: short stacking energy: -725.042
Base-Backbone interact. energy: -3.331
local terms energy: -742.661192
where:
bonds (distance) C4'-P energy: -125.917
bonds (distance) P-C4' energy: -141.453
flat angles C4'-P-C4' energy: -163.198
flat angles P-C4'-P energy: -98.516
tors. eta vs tors. theta energy: -213.577
Dist. restrs. and SS energy: 6.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2386.380181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.380181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.470005 (E_RNA)
where:
Base-Base interactions energy: -1662.383
where: short stacking energy: -729.621
Base-Backbone interact. energy: -0.125
local terms energy: -735.961731
where:
bonds (distance) C4'-P energy: -122.438
bonds (distance) P-C4' energy: -142.383
flat angles C4'-P-C4' energy: -140.426
flat angles P-C4'-P energy: -111.492
tors. eta vs tors. theta energy: -219.222
Dist. restrs. and SS energy: 12.090 (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: 81
Temperature: 1.150000
Total energy: -2256.456951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.456951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.476001 (E_RNA)
where:
Base-Base interactions energy: -1607.634
where: short stacking energy: -642.957
Base-Backbone interact. energy: -5.155
local terms energy: -658.687001
where:
bonds (distance) C4'-P energy: -123.719
bonds (distance) P-C4' energy: -132.619
flat angles C4'-P-C4' energy: -130.496
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -180.117
Dist. restrs. and SS energy: 15.019 (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: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2224.219057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.219057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.913063 (E_RNA)
where:
Base-Base interactions energy: -1573.314
where: short stacking energy: -667.139
Base-Backbone interact. energy: 1.824
local terms energy: -666.422669
where:
bonds (distance) C4'-P energy: -119.149
bonds (distance) P-C4' energy: -117.796
flat angles C4'-P-C4' energy: -145.188
flat angles P-C4'-P energy: -93.769
tors. eta vs tors. theta energy: -190.519
Dist. restrs. and SS energy: 13.694 (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: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2157.101559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.101559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.135028 (E_RNA)
where:
Base-Base interactions energy: -1535.255
where: short stacking energy: -655.437
Base-Backbone interact. energy: -2.658
local terms energy: -630.221253
where:
bonds (distance) C4'-P energy: -109.311
bonds (distance) P-C4' energy: -129.719
flat angles C4'-P-C4' energy: -146.057
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -184.169
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -2117.284069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.284069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.888891 (E_RNA)
where:
Base-Base interactions energy: -1488.142
where: short stacking energy: -611.919
Base-Backbone interact. energy: -2.775
local terms energy: -648.972685
where:
bonds (distance) C4'-P energy: -122.566
bonds (distance) P-C4' energy: -119.777
flat angles C4'-P-C4' energy: -145.906
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -186.279
Dist. restrs. and SS energy: 22.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1931.068878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.068878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.898008 (E_RNA)
where:
Base-Base interactions energy: -1412.404
where: short stacking energy: -587.566
Base-Backbone interact. energy: -0.569
local terms energy: -542.924717
where:
bonds (distance) C4'-P energy: -100.398
bonds (distance) P-C4' energy: -98.564
flat angles C4'-P-C4' energy: -118.804
flat angles P-C4'-P energy: -67.459
tors. eta vs tors. theta energy: -157.701
Dist. restrs. and SS energy: 24.829 (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: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2724.344149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.344149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.899058 (E_RNA)
where:
Base-Base interactions energy: -1923.014
where: short stacking energy: -817.696
Base-Backbone interact. energy: -1.688
local terms energy: -805.196287
where:
bonds (distance) C4'-P energy: -137.515
bonds (distance) P-C4' energy: -145.907
flat angles C4'-P-C4' energy: -171.109
flat angles P-C4'-P energy: -111.600
tors. eta vs tors. theta energy: -239.067
Dist. restrs. and SS energy: 5.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2640.930025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.930025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.038473 (E_RNA)
where:
Base-Base interactions energy: -1842.092
where: short stacking energy: -814.694
Base-Backbone interact. energy: -0.527
local terms energy: -807.419109
where:
bonds (distance) C4'-P energy: -145.120
bonds (distance) P-C4' energy: -146.523
flat angles C4'-P-C4' energy: -163.471
flat angles P-C4'-P energy: -114.509
tors. eta vs tors. theta energy: -237.795
Dist. restrs. and SS energy: 9.108 (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: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2552.990131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.990131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.846640 (E_RNA)
where:
Base-Base interactions energy: -1786.439
where: short stacking energy: -732.421
Base-Backbone interact. energy: -0.328
local terms energy: -771.079414
where:
bonds (distance) C4'-P energy: -120.953
bonds (distance) P-C4' energy: -143.578
flat angles C4'-P-C4' energy: -149.393
flat angles P-C4'-P energy: -126.844
tors. eta vs tors. theta energy: -230.312
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2465.969654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.969654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.926441 (E_RNA)
where:
Base-Base interactions energy: -1728.026
where: short stacking energy: -724.676
Base-Backbone interact. energy: -2.648
local terms energy: -742.252171
where:
bonds (distance) C4'-P energy: -130.771
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -169.278
flat angles P-C4'-P energy: -102.909
tors. eta vs tors. theta energy: -217.596
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2425.047676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.047676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.230644 (E_RNA)
where:
Base-Base interactions energy: -1692.237
where: short stacking energy: -732.710
Base-Backbone interact. energy: -2.816
local terms energy: -736.178077
where:
bonds (distance) C4'-P energy: -120.706
bonds (distance) P-C4' energy: -125.668
flat angles C4'-P-C4' energy: -150.636
flat angles P-C4'-P energy: -117.099
tors. eta vs tors. theta energy: -222.068
Dist. restrs. and SS energy: 6.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2234.308213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.308213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.194351 (E_RNA)
where:
Base-Base interactions energy: -1596.689
where: short stacking energy: -667.138
Base-Backbone interact. energy: 6.071
local terms energy: -661.576077
where:
bonds (distance) C4'-P energy: -134.253
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -141.902
flat angles P-C4'-P energy: -91.712
tors. eta vs tors. theta energy: -177.222
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: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2177.913406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.913406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.584514 (E_RNA)
where:
Base-Base interactions energy: -1527.058
where: short stacking energy: -652.051
Base-Backbone interact. energy: -0.788
local terms energy: -666.738629
where:
bonds (distance) C4'-P energy: -114.701
bonds (distance) P-C4' energy: -124.363
flat angles C4'-P-C4' energy: -148.655
flat angles P-C4'-P energy: -84.904
tors. eta vs tors. theta energy: -194.115
Dist. restrs. and SS energy: 16.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2123.934624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.934624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.699371 (E_RNA)
where:
Base-Base interactions energy: -1517.555
where: short stacking energy: -659.139
Base-Backbone interact. energy: 0.150
local terms energy: -621.294351
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -123.224
flat angles P-C4'-P energy: -71.680
tors. eta vs tors. theta energy: -201.411
Dist. restrs. and SS energy: 14.765 (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: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -2046.212209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.212209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.382148 (E_RNA)
where:
Base-Base interactions energy: -1477.876
where: short stacking energy: -624.010
Base-Backbone interact. energy: 1.253
local terms energy: -588.759389
where:
bonds (distance) C4'-P energy: -95.341
bonds (distance) P-C4' energy: -124.833
flat angles C4'-P-C4' energy: -125.957
flat angles P-C4'-P energy: -65.954
tors. eta vs tors. theta energy: -176.674
Dist. restrs. and SS energy: 19.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1875.488491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.488491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.334392 (E_RNA)
where:
Base-Base interactions energy: -1341.737
where: short stacking energy: -548.476
Base-Backbone interact. energy: -1.667
local terms energy: -552.929813
where:
bonds (distance) C4'-P energy: -113.917
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -116.559
flat angles P-C4'-P energy: -75.634
tors. eta vs tors. theta energy: -156.183
Dist. restrs. and SS energy: 20.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2734.159104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.159104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.560602 (E_RNA)
where:
Base-Base interactions energy: -1916.723
where: short stacking energy: -818.397
Base-Backbone interact. energy: -3.157
local terms energy: -819.680763
where:
bonds (distance) C4'-P energy: -152.984
bonds (distance) P-C4' energy: -150.047
flat angles C4'-P-C4' energy: -171.334
flat angles P-C4'-P energy: -107.025
tors. eta vs tors. theta energy: -238.291
Dist. restrs. and SS energy: 5.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2621.130288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.130288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.840639 (E_RNA)
where:
Base-Base interactions energy: -1851.143
where: short stacking energy: -818.461
Base-Backbone interact. energy: -3.811
local terms energy: -773.887367
where:
bonds (distance) C4'-P energy: -128.129
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -167.959
flat angles P-C4'-P energy: -109.205
tors. eta vs tors. theta energy: -237.374
Dist. restrs. and SS energy: 7.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2562.058418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.058418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.259033 (E_RNA)
where:
Base-Base interactions energy: -1792.092
where: short stacking energy: -733.056
Base-Backbone interact. energy: -2.391
local terms energy: -777.776074
where:
bonds (distance) C4'-P energy: -130.907
bonds (distance) P-C4' energy: -139.964
flat angles C4'-P-C4' energy: -165.756
flat angles P-C4'-P energy: -114.371
tors. eta vs tors. theta energy: -226.779
Dist. restrs. and SS energy: 10.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2462.054973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.054973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.079862 (E_RNA)
where:
Base-Base interactions energy: -1733.269
where: short stacking energy: -717.354
Base-Backbone interact. energy: -1.656
local terms energy: -734.154838
where:
bonds (distance) C4'-P energy: -132.008
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -158.236
flat angles P-C4'-P energy: -96.356
tors. eta vs tors. theta energy: -213.080
Dist. restrs. and SS energy: 7.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2383.947998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.947998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.169382 (E_RNA)
where:
Base-Base interactions energy: -1657.921
where: short stacking energy: -692.080
Base-Backbone interact. energy: -1.822
local terms energy: -731.426509
where:
bonds (distance) C4'-P energy: -135.271
bonds (distance) P-C4' energy: -135.028
flat angles C4'-P-C4' energy: -153.676
flat angles P-C4'-P energy: -96.399
tors. eta vs tors. theta energy: -211.052
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: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2274.705171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.705171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.105261 (E_RNA)
where:
Base-Base interactions energy: -1612.995
where: short stacking energy: -691.307
Base-Backbone interact. energy: -2.131
local terms energy: -684.978874
where:
bonds (distance) C4'-P energy: -120.475
bonds (distance) P-C4' energy: -116.870
flat angles C4'-P-C4' energy: -162.187
flat angles P-C4'-P energy: -90.384
tors. eta vs tors. theta energy: -195.063
Dist. restrs. and SS energy: 25.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2179.581008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.581008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.547894 (E_RNA)
where:
Base-Base interactions energy: -1536.550
where: short stacking energy: -646.400
Base-Backbone interact. energy: -0.126
local terms energy: -660.871975
where:
bonds (distance) C4'-P energy: -126.965
bonds (distance) P-C4' energy: -113.816
flat angles C4'-P-C4' energy: -153.388
flat angles P-C4'-P energy: -87.600
tors. eta vs tors. theta energy: -179.103
Dist. restrs. and SS energy: 17.967 (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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2108.710473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.710473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.610293 (E_RNA)
where:
Base-Base interactions energy: -1476.183
where: short stacking energy: -612.881
Base-Backbone interact. energy: 3.766
local terms energy: -655.192680
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -125.248
flat angles C4'-P-C4' energy: -140.152
flat angles P-C4'-P energy: -96.844
tors. eta vs tors. theta energy: -179.652
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: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -2066.879636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.879636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.552271 (E_RNA)
where:
Base-Base interactions energy: -1495.423
where: short stacking energy: -620.949
Base-Backbone interact. energy: 1.109
local terms energy: -589.237983
where:
bonds (distance) C4'-P energy: -88.422
bonds (distance) P-C4' energy: -113.448
flat angles C4'-P-C4' energy: -131.431
flat angles P-C4'-P energy: -93.731
tors. eta vs tors. theta energy: -162.206
Dist. restrs. and SS energy: 16.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1879.962923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.962923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.121242 (E_RNA)
where:
Base-Base interactions energy: -1311.698
where: short stacking energy: -549.654
Base-Backbone interact. energy: -0.860
local terms energy: -588.563479
where:
bonds (distance) C4'-P energy: -110.391
bonds (distance) P-C4' energy: -115.541
flat angles C4'-P-C4' energy: -113.311
flat angles P-C4'-P energy: -85.559
tors. eta vs tors. theta energy: -163.762
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: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2698.352660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.352660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.282354 (E_RNA)
where:
Base-Base interactions energy: -1875.184
where: short stacking energy: -793.337
Base-Backbone interact. energy: 0.207
local terms energy: -828.306005
where:
bonds (distance) C4'-P energy: -155.670
bonds (distance) P-C4' energy: -139.138
flat angles C4'-P-C4' energy: -182.872
flat angles P-C4'-P energy: -120.382
tors. eta vs tors. theta energy: -230.244
Dist. restrs. and SS energy: 4.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2626.513861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.513861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.690905 (E_RNA)
where:
Base-Base interactions energy: -1849.734
where: short stacking energy: -776.469
Base-Backbone interact. energy: -0.680
local terms energy: -779.277613
where:
bonds (distance) C4'-P energy: -131.306
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -168.311
flat angles P-C4'-P energy: -109.162
tors. eta vs tors. theta energy: -232.143
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2567.718569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.718569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.612593 (E_RNA)
where:
Base-Base interactions energy: -1811.554
where: short stacking energy: -751.996
Base-Backbone interact. energy: -3.209
local terms energy: -758.849308
where:
bonds (distance) C4'-P energy: -146.758
bonds (distance) P-C4' energy: -127.330
flat angles C4'-P-C4' energy: -155.037
flat angles P-C4'-P energy: -105.641
tors. eta vs tors. theta energy: -224.084
Dist. restrs. and SS energy: 5.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2482.985478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.985478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.479282 (E_RNA)
where:
Base-Base interactions energy: -1761.404
where: short stacking energy: -743.209
Base-Backbone interact. energy: -3.222
local terms energy: -729.853531
where:
bonds (distance) C4'-P energy: -126.368
bonds (distance) P-C4' energy: -122.312
flat angles C4'-P-C4' energy: -162.935
flat angles P-C4'-P energy: -99.142
tors. eta vs tors. theta energy: -219.096
Dist. restrs. and SS energy: 11.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2403.593267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.593267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.740951 (E_RNA)
where:
Base-Base interactions energy: -1680.071
where: short stacking energy: -710.277
Base-Backbone interact. energy: -3.133
local terms energy: -730.537273
where:
bonds (distance) C4'-P energy: -136.985
bonds (distance) P-C4' energy: -126.502
flat angles C4'-P-C4' energy: -158.894
flat angles P-C4'-P energy: -87.797
tors. eta vs tors. theta energy: -220.359
Dist. restrs. and SS energy: 10.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2268.763694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.763694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.185837 (E_RNA)
where:
Base-Base interactions energy: -1580.512
where: short stacking energy: -673.851
Base-Backbone interact. energy: -5.403
local terms energy: -695.271485
where:
bonds (distance) C4'-P energy: -119.834
bonds (distance) P-C4' energy: -135.460
flat angles C4'-P-C4' energy: -148.982
flat angles P-C4'-P energy: -92.675
tors. eta vs tors. theta energy: -198.319
Dist. restrs. and SS energy: 12.422 (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: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2187.798067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.798067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.757493 (E_RNA)
where:
Base-Base interactions energy: -1555.835
where: short stacking energy: -641.485
Base-Backbone interact. energy: -4.921
local terms energy: -645.001336
where:
bonds (distance) C4'-P energy: -121.300
bonds (distance) P-C4' energy: -107.613
flat angles C4'-P-C4' energy: -144.299
flat angles P-C4'-P energy: -84.171
tors. eta vs tors. theta energy: -187.619
Dist. restrs. and SS energy: 17.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2125.004130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.004130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.399989 (E_RNA)
where:
Base-Base interactions energy: -1481.608
where: short stacking energy: -613.240
Base-Backbone interact. energy: -0.726
local terms energy: -659.066076
where:
bonds (distance) C4'-P energy: -133.927
bonds (distance) P-C4' energy: -128.697
flat angles C4'-P-C4' energy: -150.057
flat angles P-C4'-P energy: -72.198
tors. eta vs tors. theta energy: -174.187
Dist. restrs. and SS energy: 16.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -2032.516699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.516699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.560925 (E_RNA)
where:
Base-Base interactions energy: -1449.262
where: short stacking energy: -610.538
Base-Backbone interact. energy: 0.859
local terms energy: -600.157352
where:
bonds (distance) C4'-P energy: -119.040
bonds (distance) P-C4' energy: -112.228
flat angles C4'-P-C4' energy: -118.867
flat angles P-C4'-P energy: -71.065
tors. eta vs tors. theta energy: -178.957
Dist. restrs. and SS energy: 16.044 (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: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1919.516912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.516912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.726501 (E_RNA)
where:
Base-Base interactions energy: -1342.903
where: short stacking energy: -545.647
Base-Backbone interact. energy: -3.369
local terms energy: -588.454206
where:
bonds (distance) C4'-P energy: -118.423
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -120.725
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -143.400
Dist. restrs. and SS energy: 15.210 (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: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2693.072318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.072318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.579309 (E_RNA)
where:
Base-Base interactions energy: -1878.284
where: short stacking energy: -795.029
Base-Backbone interact. energy: -1.259
local terms energy: -818.036997
where:
bonds (distance) C4'-P energy: -145.743
bonds (distance) P-C4' energy: -138.657
flat angles C4'-P-C4' energy: -173.194
flat angles P-C4'-P energy: -120.620
tors. eta vs tors. theta energy: -239.824
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2664.503766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.503766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.440967 (E_RNA)
where:
Base-Base interactions energy: -1877.750
where: short stacking energy: -778.035
Base-Backbone interact. energy: -1.218
local terms energy: -791.473057
where:
bonds (distance) C4'-P energy: -144.095
bonds (distance) P-C4' energy: -134.752
flat angles C4'-P-C4' energy: -160.422
flat angles P-C4'-P energy: -109.774
tors. eta vs tors. theta energy: -242.429
Dist. restrs. and SS energy: 5.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2552.858852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.858852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.961492 (E_RNA)
where:
Base-Base interactions energy: -1776.524
where: short stacking energy: -744.246
Base-Backbone interact. energy: -4.286
local terms energy: -779.151112
where:
bonds (distance) C4'-P energy: -142.813
bonds (distance) P-C4' energy: -147.468
flat angles C4'-P-C4' energy: -161.384
flat angles P-C4'-P energy: -110.884
tors. eta vs tors. theta energy: -216.603
Dist. restrs. and SS energy: 7.103 (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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2492.465897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.465897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.769387 (E_RNA)
where:
Base-Base interactions energy: -1725.668
where: short stacking energy: -714.862
Base-Backbone interact. energy: -4.110
local terms energy: -770.991161
where:
bonds (distance) C4'-P energy: -148.288
bonds (distance) P-C4' energy: -148.385
flat angles C4'-P-C4' energy: -164.300
flat angles P-C4'-P energy: -94.440
tors. eta vs tors. theta energy: -215.579
Dist. restrs. and SS energy: 8.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2442.876630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.876630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.562514 (E_RNA)
where:
Base-Base interactions energy: -1718.458
where: short stacking energy: -724.728
Base-Backbone interact. energy: -2.003
local terms energy: -730.102215
where:
bonds (distance) C4'-P energy: -132.231
bonds (distance) P-C4' energy: -134.932
flat angles C4'-P-C4' energy: -150.980
flat angles P-C4'-P energy: -98.546
tors. eta vs tors. theta energy: -213.414
Dist. restrs. and SS energy: 7.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2278.905509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.905509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.110058 (E_RNA)
where:
Base-Base interactions energy: -1587.447
where: short stacking energy: -678.632
Base-Backbone interact. energy: -0.309
local terms energy: -706.354059
where:
bonds (distance) C4'-P energy: -126.103
bonds (distance) P-C4' energy: -130.712
flat angles C4'-P-C4' energy: -154.714
flat angles P-C4'-P energy: -91.887
tors. eta vs tors. theta energy: -202.938
Dist. restrs. and SS energy: 15.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2187.130661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.130661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.936108 (E_RNA)
where:
Base-Base interactions energy: -1560.861
where: short stacking energy: -650.687
Base-Backbone interact. energy: -0.690
local terms energy: -637.384907
where:
bonds (distance) C4'-P energy: -111.370
bonds (distance) P-C4' energy: -117.884
flat angles C4'-P-C4' energy: -129.536
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -190.680
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2073.904316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.904316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.820359 (E_RNA)
where:
Base-Base interactions energy: -1486.417
where: short stacking energy: -603.492
Base-Backbone interact. energy: 4.187
local terms energy: -608.590716
where:
bonds (distance) C4'-P energy: -110.825
bonds (distance) P-C4' energy: -121.520
flat angles C4'-P-C4' energy: -127.599
flat angles P-C4'-P energy: -82.287
tors. eta vs tors. theta energy: -166.360
Dist. restrs. and SS energy: 16.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -2066.100459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.100459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.306937 (E_RNA)
where:
Base-Base interactions energy: -1478.684
where: short stacking energy: -604.746
Base-Backbone interact. energy: -2.193
local terms energy: -604.430381
where:
bonds (distance) C4'-P energy: -119.008
bonds (distance) P-C4' energy: -111.954
flat angles C4'-P-C4' energy: -112.696
flat angles P-C4'-P energy: -86.643
tors. eta vs tors. theta energy: -174.129
Dist. restrs. and SS energy: 19.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1890.408693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.408693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.860539 (E_RNA)
where:
Base-Base interactions energy: -1347.160
where: short stacking energy: -561.076
Base-Backbone interact. energy: -3.051
local terms energy: -564.649901
where:
bonds (distance) C4'-P energy: -119.211
bonds (distance) P-C4' energy: -119.313
flat angles C4'-P-C4' energy: -107.565
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: -145.041
Dist. restrs. and SS energy: 24.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2704.787022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.787022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.408730 (E_RNA)
where:
Base-Base interactions energy: -1883.270
where: short stacking energy: -806.785
Base-Backbone interact. energy: -0.109
local terms energy: -826.029671
where:
bonds (distance) C4'-P energy: -151.734
bonds (distance) P-C4' energy: -149.338
flat angles C4'-P-C4' energy: -172.518
flat angles P-C4'-P energy: -113.692
tors. eta vs tors. theta energy: -238.749
Dist. restrs. and SS energy: 4.622 (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: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2672.991166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.991166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.026193 (E_RNA)
where:
Base-Base interactions energy: -1857.683
where: short stacking energy: -815.824
Base-Backbone interact. energy: -2.563
local terms energy: -817.780215
where:
bonds (distance) C4'-P energy: -141.211
bonds (distance) P-C4' energy: -140.927
flat angles C4'-P-C4' energy: -178.641
flat angles P-C4'-P energy: -111.812
tors. eta vs tors. theta energy: -245.189
Dist. restrs. and SS energy: 5.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2555.055265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.055265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.341266 (E_RNA)
where:
Base-Base interactions energy: -1804.069
where: short stacking energy: -764.529
Base-Backbone interact. energy: -2.241
local terms energy: -756.031126
where:
bonds (distance) C4'-P energy: -147.625
bonds (distance) P-C4' energy: -126.350
flat angles C4'-P-C4' energy: -152.710
flat angles P-C4'-P energy: -103.681
tors. eta vs tors. theta energy: -225.665
Dist. restrs. and SS energy: 7.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2468.455777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.455777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.286940 (E_RNA)
where:
Base-Base interactions energy: -1740.376
where: short stacking energy: -721.040
Base-Backbone interact. energy: 0.394
local terms energy: -734.305146
where:
bonds (distance) C4'-P energy: -119.781
bonds (distance) P-C4' energy: -150.887
flat angles C4'-P-C4' energy: -150.943
flat angles P-C4'-P energy: -108.667
tors. eta vs tors. theta energy: -204.027
Dist. restrs. and SS energy: 5.831 (S_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: 86
Temperature: 1.100000
Total energy: -2395.600057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.600057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.363423 (E_RNA)
where:
Base-Base interactions energy: -1687.710
where: short stacking energy: -691.295
Base-Backbone interact. energy: -0.751
local terms energy: -718.902575
where:
bonds (distance) C4'-P energy: -133.981
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -149.054
flat angles P-C4'-P energy: -103.760
tors. eta vs tors. theta energy: -210.261
Dist. restrs. and SS energy: 11.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2253.502854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.502854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.914870 (E_RNA)
where:
Base-Base interactions energy: -1584.615
where: short stacking energy: -674.432
Base-Backbone interact. energy: -2.273
local terms energy: -683.026385
where:
bonds (distance) C4'-P energy: -132.162
bonds (distance) P-C4' energy: -120.591
flat angles C4'-P-C4' energy: -154.038
flat angles P-C4'-P energy: -86.916
tors. eta vs tors. theta energy: -189.320
Dist. restrs. and SS energy: 16.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2159.459417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.459417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.858547 (E_RNA)
where:
Base-Base interactions energy: -1505.142
where: short stacking energy: -647.021
Base-Backbone interact. energy: -0.823
local terms energy: -669.893119
where:
bonds (distance) C4'-P energy: -121.534
bonds (distance) P-C4' energy: -130.151
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -95.012
tors. eta vs tors. theta energy: -181.202
Dist. restrs. and SS energy: 16.399 (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: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2078.433286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.433286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.652189 (E_RNA)
where:
Base-Base interactions energy: -1458.229
where: short stacking energy: -600.540
Base-Backbone interact. energy: -2.457
local terms energy: -636.965446
where:
bonds (distance) C4'-P energy: -127.214
bonds (distance) P-C4' energy: -114.569
flat angles C4'-P-C4' energy: -140.603
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -177.605
Dist. restrs. and SS energy: 19.219 (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: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -2075.095172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.095172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.214574 (E_RNA)
where:
Base-Base interactions energy: -1439.861
where: short stacking energy: -596.927
Base-Backbone interact. energy: 2.273
local terms energy: -658.626192
where:
bonds (distance) C4'-P energy: -113.664
bonds (distance) P-C4' energy: -129.460
flat angles C4'-P-C4' energy: -137.372
flat angles P-C4'-P energy: -97.695
tors. eta vs tors. theta energy: -180.436
Dist. restrs. and SS energy: 21.119 (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: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1895.189454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.189454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.640162 (E_RNA)
where:
Base-Base interactions energy: -1329.770
where: short stacking energy: -564.938
Base-Backbone interact. energy: 2.038
local terms energy: -589.907737
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -121.894
flat angles C4'-P-C4' energy: -114.152
flat angles P-C4'-P energy: -92.610
tors. eta vs tors. theta energy: -139.631
Dist. restrs. and SS energy: 22.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2701.033602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.033602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.141113 (E_RNA)
where:
Base-Base interactions energy: -1897.354
where: short stacking energy: -812.833
Base-Backbone interact. energy: -1.421
local terms energy: -808.365831
where:
bonds (distance) C4'-P energy: -129.593
bonds (distance) P-C4' energy: -144.001
flat angles C4'-P-C4' energy: -175.432
flat angles P-C4'-P energy: -121.640
tors. eta vs tors. theta energy: -237.700
Dist. restrs. and SS energy: 6.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2637.542055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.542055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.365244 (E_RNA)
where:
Base-Base interactions energy: -1866.201
where: short stacking energy: -794.664
Base-Backbone interact. energy: -2.408
local terms energy: -773.756282
where:
bonds (distance) C4'-P energy: -129.319
bonds (distance) P-C4' energy: -144.793
flat angles C4'-P-C4' energy: -160.065
flat angles P-C4'-P energy: -107.073
tors. eta vs tors. theta energy: -232.506
Dist. restrs. and SS energy: 4.823 (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: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2569.003909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.003909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.099072 (E_RNA)
where:
Base-Base interactions energy: -1797.983
where: short stacking energy: -768.573
Base-Backbone interact. energy: -3.462
local terms energy: -775.653169
where:
bonds (distance) C4'-P energy: -132.599
bonds (distance) P-C4' energy: -136.859
flat angles C4'-P-C4' energy: -168.246
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -230.282
Dist. restrs. and SS energy: 8.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2462.910323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.910323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.245649 (E_RNA)
where:
Base-Base interactions energy: -1724.283
where: short stacking energy: -725.561
Base-Backbone interact. energy: -3.246
local terms energy: -742.716154
where:
bonds (distance) C4'-P energy: -139.013
bonds (distance) P-C4' energy: -132.548
flat angles C4'-P-C4' energy: -156.111
flat angles P-C4'-P energy: -103.715
tors. eta vs tors. theta energy: -211.328
Dist. restrs. and SS energy: 7.335 (S_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: 87
Temperature: 1.100000
Total energy: -2420.515706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.515706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.160171 (E_RNA)
where:
Base-Base interactions energy: -1693.329
where: short stacking energy: -727.931
Base-Backbone interact. energy: -1.989
local terms energy: -732.841564
where:
bonds (distance) C4'-P energy: -121.460
bonds (distance) P-C4' energy: -138.955
flat angles C4'-P-C4' energy: -159.612
flat angles P-C4'-P energy: -88.728
tors. eta vs tors. theta energy: -224.087
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: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2260.170033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.170033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.360400 (E_RNA)
where:
Base-Base interactions energy: -1609.403
where: short stacking energy: -685.956
Base-Backbone interact. energy: -2.475
local terms energy: -658.482112
where:
bonds (distance) C4'-P energy: -123.758
bonds (distance) P-C4' energy: -118.100
flat angles C4'-P-C4' energy: -140.990
flat angles P-C4'-P energy: -77.622
tors. eta vs tors. theta energy: -198.011
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: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2208.641675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.641675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.336146 (E_RNA)
where:
Base-Base interactions energy: -1542.752
where: short stacking energy: -666.142
Base-Backbone interact. energy: -3.621
local terms energy: -676.962544
where:
bonds (distance) C4'-P energy: -120.477
bonds (distance) P-C4' energy: -119.513
flat angles C4'-P-C4' energy: -144.622
flat angles P-C4'-P energy: -93.800
tors. eta vs tors. theta energy: -198.552
Dist. restrs. and SS energy: 14.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2100.501764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.501764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.649420 (E_RNA)
where:
Base-Base interactions energy: -1496.054
where: short stacking energy: -605.803
Base-Backbone interact. energy: -0.619
local terms energy: -622.976757
where:
bonds (distance) C4'-P energy: -115.779
bonds (distance) P-C4' energy: -106.430
flat angles C4'-P-C4' energy: -146.924
flat angles P-C4'-P energy: -80.112
tors. eta vs tors. theta energy: -173.733
Dist. restrs. and SS energy: 19.148 (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: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1976.687347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.687347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.725440 (E_RNA)
where:
Base-Base interactions energy: -1399.254
where: short stacking energy: -557.987
Base-Backbone interact. energy: -3.277
local terms energy: -595.195174
where:
bonds (distance) C4'-P energy: -121.761
bonds (distance) P-C4' energy: -121.246
flat angles C4'-P-C4' energy: -121.904
flat angles P-C4'-P energy: -86.734
tors. eta vs tors. theta energy: -143.550
Dist. restrs. and SS energy: 21.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1853.230641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.230641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.682955 (E_RNA)
where:
Base-Base interactions energy: -1324.402
where: short stacking energy: -533.630
Base-Backbone interact. energy: -0.085
local terms energy: -553.195797
where:
bonds (distance) C4'-P energy: -107.914
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -111.631
flat angles P-C4'-P energy: -72.317
tors. eta vs tors. theta energy: -143.552
Dist. restrs. and SS energy: 24.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2708.441453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.441453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.153422 (E_RNA)
where:
Base-Base interactions energy: -1905.248
where: short stacking energy: -794.257
Base-Backbone interact. energy: -1.280
local terms energy: -806.625972
where:
bonds (distance) C4'-P energy: -130.640
bonds (distance) P-C4' energy: -143.927
flat angles C4'-P-C4' energy: -171.230
flat angles P-C4'-P energy: -123.323
tors. eta vs tors. theta energy: -237.506
Dist. restrs. and SS energy: 4.712 (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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2618.406525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.406525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.651358 (E_RNA)
where:
Base-Base interactions energy: -1812.043
where: short stacking energy: -791.353
Base-Backbone interact. energy: -1.808
local terms energy: -809.800454
where:
bonds (distance) C4'-P energy: -133.292
bonds (distance) P-C4' energy: -134.691
flat angles C4'-P-C4' energy: -173.456
flat angles P-C4'-P energy: -123.242
tors. eta vs tors. theta energy: -245.120
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2590.298875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.382492 (E_RNA)
where:
Base-Base interactions energy: -1819.916
where: short stacking energy: -795.993
Base-Backbone interact. energy: -1.570
local terms energy: -775.897158
where:
bonds (distance) C4'-P energy: -135.577
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -152.371
flat angles P-C4'-P energy: -103.611
tors. eta vs tors. theta energy: -234.110
Dist. restrs. and SS energy: 7.084 (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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2459.948019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.948019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.791810 (E_RNA)
where:
Base-Base interactions energy: -1738.878
where: short stacking energy: -725.231
Base-Backbone interact. energy: -0.954
local terms energy: -726.959417
where:
bonds (distance) C4'-P energy: -125.145
bonds (distance) P-C4' energy: -129.467
flat angles C4'-P-C4' energy: -157.782
flat angles P-C4'-P energy: -97.506
tors. eta vs tors. theta energy: -217.059
Dist. restrs. and SS energy: 6.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2406.031318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.031318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.467462 (E_RNA)
where:
Base-Base interactions energy: -1707.954
where: short stacking energy: -723.115
Base-Backbone interact. energy: -1.784
local terms energy: -703.729777
where:
bonds (distance) C4'-P energy: -128.339
bonds (distance) P-C4' energy: -131.477
flat angles C4'-P-C4' energy: -136.598
flat angles P-C4'-P energy: -100.941
tors. eta vs tors. theta energy: -206.374
Dist. restrs. and SS energy: 7.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2260.595750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.595750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.806926 (E_RNA)
where:
Base-Base interactions energy: -1597.833
where: short stacking energy: -652.976
Base-Backbone interact. energy: -1.492
local terms energy: -676.482598
where:
bonds (distance) C4'-P energy: -130.415
bonds (distance) P-C4' energy: -126.966
flat angles C4'-P-C4' energy: -147.300
flat angles P-C4'-P energy: -81.450
tors. eta vs tors. theta energy: -190.351
Dist. restrs. and SS energy: 15.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2191.331688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.331688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.147407 (E_RNA)
where:
Base-Base interactions energy: -1570.072
where: short stacking energy: -662.802
Base-Backbone interact. energy: 2.681
local terms energy: -637.756359
where:
bonds (distance) C4'-P energy: -113.134
bonds (distance) P-C4' energy: -107.373
flat angles C4'-P-C4' energy: -146.357
flat angles P-C4'-P energy: -82.105
tors. eta vs tors. theta energy: -188.788
Dist. restrs. and SS energy: 13.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2096.697280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.054517 (E_RNA)
where:
Base-Base interactions energy: -1503.668
where: short stacking energy: -605.080
Base-Backbone interact. energy: -1.862
local terms energy: -607.524753
where:
bonds (distance) C4'-P energy: -102.832
bonds (distance) P-C4' energy: -132.290
flat angles C4'-P-C4' energy: -122.423
flat angles P-C4'-P energy: -90.247
tors. eta vs tors. theta energy: -159.733
Dist. restrs. and SS energy: 16.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -2003.657678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.657678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.962283 (E_RNA)
where:
Base-Base interactions energy: -1413.779
where: short stacking energy: -581.368
Base-Backbone interact. energy: -0.689
local terms energy: -600.494814
where:
bonds (distance) C4'-P energy: -112.979
bonds (distance) P-C4' energy: -101.224
flat angles C4'-P-C4' energy: -125.160
flat angles P-C4'-P energy: -89.182
tors. eta vs tors. theta energy: -171.951
Dist. restrs. and SS energy: 11.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1883.484521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.484521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.200272 (E_RNA)
where:
Base-Base interactions energy: -1317.238
where: short stacking energy: -532.967
Base-Backbone interact. energy: 1.200
local terms energy: -585.162373
where:
bonds (distance) C4'-P energy: -114.085
bonds (distance) P-C4' energy: -107.826
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -145.637
Dist. restrs. and SS energy: 17.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2674.726867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.726867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.289402 (E_RNA)
where:
Base-Base interactions energy: -1887.350
where: short stacking energy: -773.726
Base-Backbone interact. energy: -0.444
local terms energy: -791.495322
where:
bonds (distance) C4'-P energy: -145.105
bonds (distance) P-C4' energy: -145.038
flat angles C4'-P-C4' energy: -160.894
flat angles P-C4'-P energy: -122.596
tors. eta vs tors. theta energy: -217.862
Dist. restrs. and SS energy: 4.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2602.675935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.675935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.077614 (E_RNA)
where:
Base-Base interactions energy: -1797.765
where: short stacking energy: -775.728
Base-Backbone interact. energy: -4.146
local terms energy: -806.167238
where:
bonds (distance) C4'-P energy: -138.026
bonds (distance) P-C4' energy: -142.627
flat angles C4'-P-C4' energy: -176.579
flat angles P-C4'-P energy: -112.739
tors. eta vs tors. theta energy: -236.197
Dist. restrs. and SS energy: 5.402 (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: 89
Temperature: 1.000000
Total energy: -2642.751099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.751099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.872969 (E_RNA)
where:
Base-Base interactions energy: -1839.322
where: short stacking energy: -774.979
Base-Backbone interact. energy: -1.203
local terms energy: -810.348055
where:
bonds (distance) C4'-P energy: -145.118
bonds (distance) P-C4' energy: -147.135
flat angles C4'-P-C4' energy: -170.259
flat angles P-C4'-P energy: -118.681
tors. eta vs tors. theta energy: -229.156
Dist. restrs. and SS energy: 8.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2453.711566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.711566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.239593 (E_RNA)
where:
Base-Base interactions energy: -1718.750
where: short stacking energy: -706.906
Base-Backbone interact. energy: -1.119
local terms energy: -740.370289
where:
bonds (distance) C4'-P energy: -125.241
bonds (distance) P-C4' energy: -149.866
flat angles C4'-P-C4' energy: -153.824
flat angles P-C4'-P energy: -105.116
tors. eta vs tors. theta energy: -206.323
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2394.433083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.433083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.218932 (E_RNA)
where:
Base-Base interactions energy: -1668.615
where: short stacking energy: -702.417
Base-Backbone interact. energy: -4.086
local terms energy: -727.517989
where:
bonds (distance) C4'-P energy: -141.785
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -159.192
flat angles P-C4'-P energy: -91.402
tors. eta vs tors. theta energy: -204.106
Dist. restrs. and SS energy: 5.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2240.687244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.687244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.257044 (E_RNA)
where:
Base-Base interactions energy: -1582.516
where: short stacking energy: -665.573
Base-Backbone interact. energy: -1.453
local terms energy: -671.287776
where:
bonds (distance) C4'-P energy: -125.749
bonds (distance) P-C4' energy: -123.580
flat angles C4'-P-C4' energy: -153.342
flat angles P-C4'-P energy: -82.951
tors. eta vs tors. theta energy: -185.666
Dist. restrs. and SS energy: 14.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2177.662693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.662693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.317185 (E_RNA)
where:
Base-Base interactions energy: -1586.000
where: short stacking energy: -643.440
Base-Backbone interact. energy: -3.085
local terms energy: -603.231974
where:
bonds (distance) C4'-P energy: -103.171
bonds (distance) P-C4' energy: -117.986
flat angles C4'-P-C4' energy: -137.051
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -176.885
Dist. restrs. and SS energy: 14.654 (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: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2121.596167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.596167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.688293 (E_RNA)
where:
Base-Base interactions energy: -1521.206
where: short stacking energy: -645.168
Base-Backbone interact. energy: 0.154
local terms energy: -614.635777
where:
bonds (distance) C4'-P energy: -97.906
bonds (distance) P-C4' energy: -97.070
flat angles C4'-P-C4' energy: -143.673
flat angles P-C4'-P energy: -94.158
tors. eta vs tors. theta energy: -181.828
Dist. restrs. and SS energy: 14.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -2016.707287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.707287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.923748 (E_RNA)
where:
Base-Base interactions energy: -1448.869
where: short stacking energy: -592.206
Base-Backbone interact. energy: 6.230
local terms energy: -593.284450
where:
bonds (distance) C4'-P energy: -90.398
bonds (distance) P-C4' energy: -110.479
flat angles C4'-P-C4' energy: -139.862
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -173.250
Dist. restrs. and SS energy: 19.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1903.951234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.951234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.963693 (E_RNA)
where:
Base-Base interactions energy: -1356.449
where: short stacking energy: -547.296
Base-Backbone interact. energy: 1.048
local terms energy: -568.562398
where:
bonds (distance) C4'-P energy: -103.331
bonds (distance) P-C4' energy: -112.484
flat angles C4'-P-C4' energy: -140.723
flat angles P-C4'-P energy: -59.939
tors. eta vs tors. theta energy: -152.086
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: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2708.150864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.150864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.497783 (E_RNA)
where:
Base-Base interactions energy: -1911.728
where: short stacking energy: -791.284
Base-Backbone interact. energy: 1.252
local terms energy: -804.021686
where:
bonds (distance) C4'-P energy: -140.027
bonds (distance) P-C4' energy: -148.550
flat angles C4'-P-C4' energy: -170.232
flat angles P-C4'-P energy: -117.929
tors. eta vs tors. theta energy: -227.284
Dist. restrs. and SS energy: 6.347 (S_DIST_RNA)
chem. 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: -2640.602092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.602092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.368416 (E_RNA)
where:
Base-Base interactions energy: -1825.351
where: short stacking energy: -794.153
Base-Backbone interact. energy: -2.360
local terms energy: -818.657637
where:
bonds (distance) C4'-P energy: -145.872
bonds (distance) P-C4' energy: -155.176
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -104.296
tors. eta vs tors. theta energy: -248.695
Dist. restrs. and SS energy: 5.766 (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: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2598.407350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.407350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.655476 (E_RNA)
where:
Base-Base interactions energy: -1822.573
where: short stacking energy: -771.190
Base-Backbone interact. energy: -0.839
local terms energy: -781.243424
where:
bonds (distance) C4'-P energy: -141.026
bonds (distance) P-C4' energy: -143.131
flat angles C4'-P-C4' energy: -162.432
flat angles P-C4'-P energy: -106.216
tors. eta vs tors. theta energy: -228.438
Dist. restrs. and SS energy: 6.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2457.191002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.191002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.624927 (E_RNA)
where:
Base-Base interactions energy: -1733.358
where: short stacking energy: -735.385
Base-Backbone interact. energy: -3.996
local terms energy: -729.271062
where:
bonds (distance) C4'-P energy: -131.293
bonds (distance) P-C4' energy: -124.721
flat angles C4'-P-C4' energy: -171.118
flat angles P-C4'-P energy: -99.336
tors. eta vs tors. theta energy: -202.803
Dist. restrs. and SS energy: 9.434 (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: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2418.188207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.188207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.115326 (E_RNA)
where:
Base-Base interactions energy: -1697.265
where: short stacking energy: -714.908
Base-Backbone interact. energy: -2.768
local terms energy: -727.082939
where:
bonds (distance) C4'-P energy: -118.418
bonds (distance) P-C4' energy: -130.258
flat angles C4'-P-C4' energy: -159.739
flat angles P-C4'-P energy: -109.202
tors. eta vs tors. theta energy: -209.466
Dist. restrs. and SS energy: 8.927 (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: 90
Temperature: 1.150000
Total energy: -2296.381401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.381401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.545306 (E_RNA)
where:
Base-Base interactions energy: -1624.610
where: short stacking energy: -691.672
Base-Backbone interact. energy: -0.665
local terms energy: -683.270624
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -125.537
flat angles C4'-P-C4' energy: -150.857
flat angles P-C4'-P energy: -109.415
tors. eta vs tors. theta energy: -194.652
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: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2188.918191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.918191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.519150 (E_RNA)
where:
Base-Base interactions energy: -1555.652
where: short stacking energy: -660.692
Base-Backbone interact. energy: -3.259
local terms energy: -644.607620
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -129.355
flat angles C4'-P-C4' energy: -142.674
flat angles P-C4'-P energy: -80.663
tors. eta vs tors. theta energy: -186.595
Dist. restrs. and SS energy: 14.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2069.505510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.505510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.325676 (E_RNA)
where:
Base-Base interactions energy: -1481.048
where: short stacking energy: -601.481
Base-Backbone interact. energy: 11.557
local terms energy: -613.835254
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -110.803
flat angles C4'-P-C4' energy: -134.995
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: -173.438
Dist. restrs. and SS energy: 13.820 (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: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1993.253765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.253765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.504739 (E_RNA)
where:
Base-Base interactions energy: -1418.716
where: short stacking energy: -584.029
Base-Backbone interact. energy: -0.187
local terms energy: -601.602132
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -138.239
flat angles P-C4'-P energy: -80.462
tors. eta vs tors. theta energy: -167.635
Dist. restrs. and SS energy: 27.251 (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: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1968.659992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.659992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.263972 (E_RNA)
where:
Base-Base interactions energy: -1400.485
where: short stacking energy: -568.568
Base-Backbone interact. energy: -0.254
local terms energy: -595.525022
where:
bonds (distance) C4'-P energy: -85.321
bonds (distance) P-C4' energy: -120.074
flat angles C4'-P-C4' energy: -137.594
flat angles P-C4'-P energy: -92.777
tors. eta vs tors. theta energy: -159.759
Dist. restrs. and SS energy: 27.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2703.425931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.425931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.263655 (E_RNA)
where:
Base-Base interactions energy: -1902.655
where: short stacking energy: -806.578
Base-Backbone interact. energy: -4.430
local terms energy: -802.178298
where:
bonds (distance) C4'-P energy: -128.644
bonds (distance) P-C4' energy: -157.550
flat angles C4'-P-C4' energy: -163.258
flat angles P-C4'-P energy: -118.434
tors. eta vs tors. theta energy: -234.293
Dist. restrs. and SS energy: 5.838 (S_DIST_RNA)
chem. 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: -2606.390749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.390749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.125539 (E_RNA)
where:
Base-Base interactions energy: -1816.516
where: short stacking energy: -788.037
Base-Backbone interact. energy: -0.534
local terms energy: -795.075577
where:
bonds (distance) C4'-P energy: -130.021
bonds (distance) P-C4' energy: -152.702
flat angles C4'-P-C4' energy: -151.454
flat angles P-C4'-P energy: -115.818
tors. eta vs tors. theta energy: -245.080
Dist. restrs. and SS energy: 5.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2598.283330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.283330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.315425 (E_RNA)
where:
Base-Base interactions energy: -1824.877
where: short stacking energy: -774.144
Base-Backbone interact. energy: -2.550
local terms energy: -777.888465
where:
bonds (distance) C4'-P energy: -139.583
bonds (distance) P-C4' energy: -142.391
flat angles C4'-P-C4' energy: -172.160
flat angles P-C4'-P energy: -91.659
tors. eta vs tors. theta energy: -232.096
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: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2463.848021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.848021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.158032 (E_RNA)
where:
Base-Base interactions energy: -1740.529
where: short stacking energy: -704.338
Base-Backbone interact. energy: -2.823
local terms energy: -734.805967
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -140.121
flat angles C4'-P-C4' energy: -156.425
flat angles P-C4'-P energy: -109.228
tors. eta vs tors. theta energy: -213.285
Dist. restrs. and SS energy: 14.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2406.328349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.328349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.963135 (E_RNA)
where:
Base-Base interactions energy: -1671.445
where: short stacking energy: -709.111
Base-Backbone interact. energy: -1.902
local terms energy: -742.616007
where:
bonds (distance) C4'-P energy: -139.251
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -152.659
flat angles P-C4'-P energy: -100.704
tors. eta vs tors. theta energy: -214.690
Dist. restrs. and SS energy: 9.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2283.393180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.393180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.156098 (E_RNA)
where:
Base-Base interactions energy: -1606.555
where: short stacking energy: -661.651
Base-Backbone interact. energy: -1.682
local terms energy: -684.918771
where:
bonds (distance) C4'-P energy: -125.823
bonds (distance) P-C4' energy: -123.911
flat angles C4'-P-C4' energy: -143.947
flat angles P-C4'-P energy: -90.553
tors. eta vs tors. theta energy: -200.685
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: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2171.630526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.630526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.063062 (E_RNA)
where:
Base-Base interactions energy: -1517.073
where: short stacking energy: -654.851
Base-Backbone interact. energy: -2.331
local terms energy: -674.659572
where:
bonds (distance) C4'-P energy: -135.810
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -138.046
flat angles P-C4'-P energy: -82.105
tors. eta vs tors. theta energy: -186.932
Dist. restrs. and SS energy: 22.433 (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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2085.598955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.598955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.699380 (E_RNA)
where:
Base-Base interactions energy: -1486.402
where: short stacking energy: -614.974
Base-Backbone interact. energy: -1.978
local terms energy: -615.319357
where:
bonds (distance) C4'-P energy: -124.320
bonds (distance) P-C4' energy: -116.811
flat angles C4'-P-C4' energy: -128.651
flat angles P-C4'-P energy: -88.634
tors. eta vs tors. theta energy: -156.904
Dist. restrs. and SS energy: 18.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1985.615325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.615325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.100254 (E_RNA)
where:
Base-Base interactions energy: -1412.141
where: short stacking energy: -564.475
Base-Backbone interact. energy: -1.275
local terms energy: -584.683688
where:
bonds (distance) C4'-P energy: -116.735
bonds (distance) P-C4' energy: -91.288
flat angles C4'-P-C4' energy: -135.516
flat angles P-C4'-P energy: -83.416
tors. eta vs tors. theta energy: -157.728
Dist. restrs. and SS energy: 12.485 (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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1882.307563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.307563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.808710 (E_RNA)
where:
Base-Base interactions energy: -1329.975
where: short stacking energy: -548.259
Base-Backbone interact. energy: -2.734
local terms energy: -578.099884
where:
bonds (distance) C4'-P energy: -111.637
bonds (distance) P-C4' energy: -106.203
flat angles C4'-P-C4' energy: -121.037
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: -159.273
Dist. restrs. and SS energy: 28.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2713.464808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.090224 (E_RNA)
where:
Base-Base interactions energy: -1898.775
where: short stacking energy: -794.829
Base-Backbone interact. energy: -8.964
local terms energy: -810.350893
where:
bonds (distance) C4'-P energy: -162.552
bonds (distance) P-C4' energy: -137.705
flat angles C4'-P-C4' energy: -157.366
flat angles P-C4'-P energy: -117.440
tors. eta vs tors. theta energy: -235.287
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2629.542996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.542996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.246277 (E_RNA)
where:
Base-Base interactions energy: -1842.694
where: short stacking energy: -766.857
Base-Backbone interact. energy: -4.631
local terms energy: -784.921319
where:
bonds (distance) C4'-P energy: -142.960
bonds (distance) P-C4' energy: -134.000
flat angles C4'-P-C4' energy: -164.333
flat angles P-C4'-P energy: -111.746
tors. eta vs tors. theta energy: -231.882
Dist. restrs. and SS energy: 2.703 (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: 92
Temperature: 1.000000
Total energy: -2575.043524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.043524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.214435 (E_RNA)
where:
Base-Base interactions energy: -1827.772
where: short stacking energy: -780.121
Base-Backbone interact. energy: -2.652
local terms energy: -751.790503
where:
bonds (distance) C4'-P energy: -116.959
bonds (distance) P-C4' energy: -136.244
flat angles C4'-P-C4' energy: -156.285
flat angles P-C4'-P energy: -102.943
tors. eta vs tors. theta energy: -239.359
Dist. restrs. and SS energy: 7.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2438.716002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.716002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.291335 (E_RNA)
where:
Base-Base interactions energy: -1695.028
where: short stacking energy: -707.585
Base-Backbone interact. energy: -3.551
local terms energy: -754.713260
where:
bonds (distance) C4'-P energy: -141.479
bonds (distance) P-C4' energy: -124.868
flat angles C4'-P-C4' energy: -148.396
flat angles P-C4'-P energy: -128.197
tors. eta vs tors. theta energy: -211.773
Dist. restrs. and SS energy: 14.575 (S_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: 92
Temperature: 1.100000
Total energy: -2431.825384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.825384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.038063 (E_RNA)
where:
Base-Base interactions energy: -1698.427
where: short stacking energy: -719.628
Base-Backbone interact. energy: -0.027
local terms energy: -743.583699
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -119.060
flat angles C4'-P-C4' energy: -160.630
flat angles P-C4'-P energy: -99.996
tors. eta vs tors. theta energy: -235.890
Dist. restrs. and SS energy: 10.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2272.321366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.321366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.861056 (E_RNA)
where:
Base-Base interactions energy: -1606.313
where: short stacking energy: -684.233
Base-Backbone interact. energy: 0.590
local terms energy: -680.138345
where:
bonds (distance) C4'-P energy: -115.737
bonds (distance) P-C4' energy: -145.562
flat angles C4'-P-C4' energy: -136.155
flat angles P-C4'-P energy: -82.041
tors. eta vs tors. theta energy: -200.643
Dist. restrs. and SS energy: 13.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2176.157014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.157014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.307500 (E_RNA)
where:
Base-Base interactions energy: -1512.036
where: short stacking energy: -616.975
Base-Backbone interact. energy: 3.472
local terms energy: -686.744070
where:
bonds (distance) C4'-P energy: -128.056
bonds (distance) P-C4' energy: -140.295
flat angles C4'-P-C4' energy: -151.202
flat angles P-C4'-P energy: -81.666
tors. eta vs tors. theta energy: -185.525
Dist. restrs. and SS energy: 19.150 (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: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2102.801890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.912116 (E_RNA)
where:
Base-Base interactions energy: -1481.389
where: short stacking energy: -595.870
Base-Backbone interact. energy: -0.666
local terms energy: -632.856847
where:
bonds (distance) C4'-P energy: -128.457
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -133.918
flat angles P-C4'-P energy: -89.274
tors. eta vs tors. theta energy: -180.030
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: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -2043.812875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.812875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.143380 (E_RNA)
where:
Base-Base interactions energy: -1455.146
where: short stacking energy: -596.249
Base-Backbone interact. energy: -1.683
local terms energy: -600.314183
where:
bonds (distance) C4'-P energy: -103.743
bonds (distance) P-C4' energy: -95.794
flat angles C4'-P-C4' energy: -140.344
flat angles P-C4'-P energy: -87.624
tors. eta vs tors. theta energy: -172.809
Dist. restrs. and SS energy: 13.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1928.415993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.415993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.935470 (E_RNA)
where:
Base-Base interactions energy: -1420.551
where: short stacking energy: -579.191
Base-Backbone interact. energy: -3.208
local terms energy: -527.176197
where:
bonds (distance) C4'-P energy: -88.173
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -123.995
flat angles P-C4'-P energy: -60.670
tors. eta vs tors. theta energy: -166.943
Dist. restrs. and SS energy: 22.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2706.852722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.852722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.005596 (E_RNA)
where:
Base-Base interactions energy: -1919.495
where: short stacking energy: -793.058
Base-Backbone interact. energy: -3.187
local terms energy: -788.322875
where:
bonds (distance) C4'-P energy: -141.594
bonds (distance) P-C4' energy: -143.368
flat angles C4'-P-C4' energy: -166.565
flat angles P-C4'-P energy: -103.159
tors. eta vs tors. theta energy: -233.638
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: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2627.622121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.413302 (E_RNA)
where:
Base-Base interactions energy: -1839.555
where: short stacking energy: -803.420
Base-Backbone interact. energy: -2.146
local terms energy: -791.712762
where:
bonds (distance) C4'-P energy: -132.543
bonds (distance) P-C4' energy: -146.475
flat angles C4'-P-C4' energy: -174.064
flat angles P-C4'-P energy: -95.370
tors. eta vs tors. theta energy: -243.261
Dist. restrs. and SS energy: 5.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2583.506420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.680666 (E_RNA)
where:
Base-Base interactions energy: -1827.420
where: short stacking energy: -784.163
Base-Backbone interact. energy: -3.454
local terms energy: -760.806707
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -131.510
flat angles C4'-P-C4' energy: -158.587
flat angles P-C4'-P energy: -109.856
tors. eta vs tors. theta energy: -233.607
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2444.106058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.106058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.871497 (E_RNA)
where:
Base-Base interactions energy: -1719.950
where: short stacking energy: -710.106
Base-Backbone interact. energy: -4.136
local terms energy: -725.785196
where:
bonds (distance) C4'-P energy: -118.483
bonds (distance) P-C4' energy: -144.021
flat angles C4'-P-C4' energy: -149.175
flat angles P-C4'-P energy: -95.913
tors. eta vs tors. theta energy: -218.194
Dist. restrs. and SS energy: 5.765 (S_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: 93
Temperature: 1.100000
Total energy: -2416.574099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.574099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.947981 (E_RNA)
where:
Base-Base interactions energy: -1715.446
where: short stacking energy: -723.088
Base-Backbone interact. energy: 0.609
local terms energy: -708.110894
where:
bonds (distance) C4'-P energy: -120.971
bonds (distance) P-C4' energy: -124.491
flat angles C4'-P-C4' energy: -145.719
flat angles P-C4'-P energy: -90.146
tors. eta vs tors. theta energy: -226.785
Dist. restrs. and SS energy: 6.374 (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: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2281.799204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.799204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.325385 (E_RNA)
where:
Base-Base interactions energy: -1582.758
where: short stacking energy: -661.164
Base-Backbone interact. energy: -5.113
local terms energy: -704.454990
where:
bonds (distance) C4'-P energy: -123.046
bonds (distance) P-C4' energy: -149.084
flat angles C4'-P-C4' energy: -138.661
flat angles P-C4'-P energy: -98.948
tors. eta vs tors. theta energy: -194.716
Dist. restrs. and SS energy: 10.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2172.325536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.325536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.201618 (E_RNA)
where:
Base-Base interactions energy: -1515.192
where: short stacking energy: -625.797
Base-Backbone interact. energy: -1.799
local terms energy: -670.210716
where:
bonds (distance) C4'-P energy: -134.337
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -147.050
flat angles P-C4'-P energy: -98.559
tors. eta vs tors. theta energy: -181.618
Dist. restrs. and SS energy: 14.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2102.321512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.321512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.933764 (E_RNA)
where:
Base-Base interactions energy: -1454.432
where: short stacking energy: -624.569
Base-Backbone interact. energy: -4.243
local terms energy: -660.259155
where:
bonds (distance) C4'-P energy: -116.546
bonds (distance) P-C4' energy: -128.571
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -93.836
tors. eta vs tors. theta energy: -181.998
Dist. restrs. and SS energy: 16.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -2018.314453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.314453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.423314 (E_RNA)
where:
Base-Base interactions energy: -1395.500
where: short stacking energy: -597.673
Base-Backbone interact. energy: -1.452
local terms energy: -637.470791
where:
bonds (distance) C4'-P energy: -96.586
bonds (distance) P-C4' energy: -132.852
flat angles C4'-P-C4' energy: -151.535
flat angles P-C4'-P energy: -80.074
tors. eta vs tors. theta energy: -176.423
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: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1892.590750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.590750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.009419 (E_RNA)
where:
Base-Base interactions energy: -1345.132
where: short stacking energy: -570.853
Base-Backbone interact. energy: -4.177
local terms energy: -570.700040
where:
bonds (distance) C4'-P energy: -113.116
bonds (distance) P-C4' energy: -105.544
flat angles C4'-P-C4' energy: -145.238
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -149.222
Dist. restrs. and SS energy: 27.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2696.810361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.810361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.886210 (E_RNA)
where:
Base-Base interactions energy: -1877.190
where: short stacking energy: -798.781
Base-Backbone interact. energy: -5.675
local terms energy: -819.021404
where:
bonds (distance) C4'-P energy: -149.825
bonds (distance) P-C4' energy: -149.587
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -120.894
tors. eta vs tors. theta energy: -233.281
Dist. restrs. and SS energy: 5.076 (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: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2648.689121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.689121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.930951 (E_RNA)
where:
Base-Base interactions energy: -1865.939
where: short stacking energy: -801.008
Base-Backbone interact. energy: -0.722
local terms energy: -788.269155
where:
bonds (distance) C4'-P energy: -133.153
bonds (distance) P-C4' energy: -141.196
flat angles C4'-P-C4' energy: -168.829
flat angles P-C4'-P energy: -105.575
tors. eta vs tors. theta energy: -239.516
Dist. restrs. and SS energy: 6.242 (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: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2580.202860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.942904 (E_RNA)
where:
Base-Base interactions energy: -1823.169
where: short stacking energy: -773.976
Base-Backbone interact. energy: -2.351
local terms energy: -763.422767
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -152.565
flat angles C4'-P-C4' energy: -154.226
flat angles P-C4'-P energy: -98.928
tors. eta vs tors. theta energy: -224.462
Dist. restrs. and SS energy: 8.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2465.673448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.673448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.804324 (E_RNA)
where:
Base-Base interactions energy: -1765.099
where: short stacking energy: -728.994
Base-Backbone interact. energy: -0.707
local terms energy: -707.998328
where:
bonds (distance) C4'-P energy: -117.638
bonds (distance) P-C4' energy: -114.038
flat angles C4'-P-C4' energy: -164.550
flat angles P-C4'-P energy: -95.658
tors. eta vs tors. theta energy: -216.114
Dist. restrs. and SS energy: 8.131 (S_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: 94
Temperature: 1.100000
Total energy: -2392.572031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.572031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.591649 (E_RNA)
where:
Base-Base interactions energy: -1695.601
where: short stacking energy: -719.136
Base-Backbone interact. energy: -3.554
local terms energy: -698.436661
where:
bonds (distance) C4'-P energy: -113.694
bonds (distance) P-C4' energy: -123.301
flat angles C4'-P-C4' energy: -149.692
flat angles P-C4'-P energy: -104.895
tors. eta vs tors. theta energy: -206.854
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2257.991914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.991914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.036411 (E_RNA)
where:
Base-Base interactions energy: -1601.196
where: short stacking energy: -673.987
Base-Backbone interact. energy: -2.457
local terms energy: -668.383240
where:
bonds (distance) C4'-P energy: -140.417
bonds (distance) P-C4' energy: -93.129
flat angles C4'-P-C4' energy: -147.465
flat angles P-C4'-P energy: -88.587
tors. eta vs tors. theta energy: -198.786
Dist. restrs. and SS energy: 14.044 (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: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2140.623325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.623325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.476665 (E_RNA)
where:
Base-Base interactions energy: -1507.124
where: short stacking energy: -600.543
Base-Backbone interact. energy: 0.598
local terms energy: -646.950831
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -126.207
flat angles C4'-P-C4' energy: -147.000
flat angles P-C4'-P energy: -68.624
tors. eta vs tors. theta energy: -175.766
Dist. restrs. and SS energy: 12.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2078.128138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.128138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.500616 (E_RNA)
where:
Base-Base interactions energy: -1462.160
where: short stacking energy: -628.287
Base-Backbone interact. energy: 1.513
local terms energy: -629.853782
where:
bonds (distance) C4'-P energy: -102.600
bonds (distance) P-C4' energy: -112.707
flat angles C4'-P-C4' energy: -130.748
flat angles P-C4'-P energy: -97.133
tors. eta vs tors. theta energy: -186.666
Dist. restrs. and SS energy: 12.372 (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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -2032.444524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.444524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.323996 (E_RNA)
where:
Base-Base interactions energy: -1437.435
where: short stacking energy: -609.945
Base-Backbone interact. energy: 1.061
local terms energy: -621.949787
where:
bonds (distance) C4'-P energy: -114.045
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -69.096
tors. eta vs tors. theta energy: -168.960
Dist. restrs. and SS energy: 25.879 (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: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1944.358994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.358994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.890595 (E_RNA)
where:
Base-Base interactions energy: -1397.465
where: short stacking energy: -551.600
Base-Backbone interact. energy: -4.116
local terms energy: -565.309494
where:
bonds (distance) C4'-P energy: -107.876
bonds (distance) P-C4' energy: -94.752
flat angles C4'-P-C4' energy: -121.569
flat angles P-C4'-P energy: -76.138
tors. eta vs tors. theta energy: -164.975
Dist. restrs. and SS energy: 22.532 (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: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2723.476766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.476766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.061391 (E_RNA)
where:
Base-Base interactions energy: -1919.855
where: short stacking energy: -811.381
Base-Backbone interact. energy: -1.617
local terms energy: -806.589206
where:
bonds (distance) C4'-P energy: -144.011
bonds (distance) P-C4' energy: -139.095
flat angles C4'-P-C4' energy: -165.360
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -245.082
Dist. restrs. and SS energy: 4.585 (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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2618.393001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.393001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.365768 (E_RNA)
where:
Base-Base interactions energy: -1822.780
where: short stacking energy: -796.554
Base-Backbone interact. energy: -4.292
local terms energy: -795.293529
where:
bonds (distance) C4'-P energy: -141.278
bonds (distance) P-C4' energy: -143.003
flat angles C4'-P-C4' energy: -165.698
flat angles P-C4'-P energy: -114.570
tors. eta vs tors. theta energy: -230.745
Dist. restrs. and SS energy: 3.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2583.464423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.464423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.550024 (E_RNA)
where:
Base-Base interactions energy: -1807.912
where: short stacking energy: -753.218
Base-Backbone interact. energy: -3.296
local terms energy: -778.341256
where:
bonds (distance) C4'-P energy: -135.058
bonds (distance) P-C4' energy: -143.742
flat angles C4'-P-C4' energy: -159.541
flat angles P-C4'-P energy: -112.528
tors. eta vs tors. theta energy: -227.472
Dist. restrs. and SS energy: 6.086 (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: 95
Temperature: 1.050000
Total energy: -2482.526022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.526022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.281964 (E_RNA)
where:
Base-Base interactions energy: -1722.693
where: short stacking energy: -708.471
Base-Backbone interact. energy: -1.228
local terms energy: -762.361060
where:
bonds (distance) C4'-P energy: -143.119
bonds (distance) P-C4' energy: -143.441
flat angles C4'-P-C4' energy: -163.039
flat angles P-C4'-P energy: -95.186
tors. eta vs tors. theta energy: -217.576
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2423.880541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.880541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.251085 (E_RNA)
where:
Base-Base interactions energy: -1676.831
where: short stacking energy: -692.966
Base-Backbone interact. energy: -3.338
local terms energy: -751.082247
where:
bonds (distance) C4'-P energy: -120.029
bonds (distance) P-C4' energy: -137.672
flat angles C4'-P-C4' energy: -153.712
flat angles P-C4'-P energy: -114.711
tors. eta vs tors. theta energy: -224.958
Dist. restrs. and SS energy: 7.371 (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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2297.408504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.408504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.419875 (E_RNA)
where:
Base-Base interactions energy: -1595.042
where: short stacking energy: -675.984
Base-Backbone interact. energy: 1.702
local terms energy: -714.080038
where:
bonds (distance) C4'-P energy: -115.619
bonds (distance) P-C4' energy: -135.425
flat angles C4'-P-C4' energy: -157.355
flat angles P-C4'-P energy: -101.377
tors. eta vs tors. theta energy: -204.304
Dist. restrs. and SS energy: 10.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2201.500654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.500654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.989368 (E_RNA)
where:
Base-Base interactions energy: -1511.614
where: short stacking energy: -651.533
Base-Backbone interact. energy: -1.362
local terms energy: -700.013632
where:
bonds (distance) C4'-P energy: -137.178
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -146.146
flat angles P-C4'-P energy: -105.175
tors. eta vs tors. theta energy: -191.272
Dist. restrs. and SS energy: 11.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2125.489878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.489878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.832886 (E_RNA)
where:
Base-Base interactions energy: -1489.990
where: short stacking energy: -629.449
Base-Backbone interact. energy: -0.317
local terms energy: -648.525554
where:
bonds (distance) C4'-P energy: -116.498
bonds (distance) P-C4' energy: -120.855
flat angles C4'-P-C4' energy: -141.390
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -192.504
Dist. restrs. and SS energy: 13.343 (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: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -2033.713372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.713372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.828832 (E_RNA)
where:
Base-Base interactions energy: -1445.967
where: short stacking energy: -600.676
Base-Backbone interact. energy: -1.941
local terms energy: -600.920562
where:
bonds (distance) C4'-P energy: -110.491
bonds (distance) P-C4' energy: -91.792
flat angles C4'-P-C4' energy: -139.181
flat angles P-C4'-P energy: -81.807
tors. eta vs tors. theta energy: -177.650
Dist. restrs. and SS energy: 15.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1915.981177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.981177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.603100 (E_RNA)
where:
Base-Base interactions energy: -1329.409
where: short stacking energy: -554.993
Base-Backbone interact. energy: -3.564
local terms energy: -607.630437
where:
bonds (distance) C4'-P energy: -100.870
bonds (distance) P-C4' energy: -141.649
flat angles C4'-P-C4' energy: -131.699
flat angles P-C4'-P energy: -70.427
tors. eta vs tors. theta energy: -162.985
Dist. restrs. and SS energy: 24.622 (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: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2711.481687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.481687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.106447 (E_RNA)
where:
Base-Base interactions energy: -1883.975
where: short stacking energy: -787.555
Base-Backbone interact. energy: -2.819
local terms energy: -832.312915
where:
bonds (distance) C4'-P energy: -139.579
bonds (distance) P-C4' energy: -156.268
flat angles C4'-P-C4' energy: -174.203
flat angles P-C4'-P energy: -124.373
tors. eta vs tors. theta energy: -237.890
Dist. restrs. and SS energy: 7.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2628.309573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.309573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.910698 (E_RNA)
where:
Base-Base interactions energy: -1826.223
where: short stacking energy: -794.410
Base-Backbone interact. energy: -0.997
local terms energy: -810.690662
where:
bonds (distance) C4'-P energy: -134.330
bonds (distance) P-C4' energy: -146.675
flat angles C4'-P-C4' energy: -174.731
flat angles P-C4'-P energy: -112.498
tors. eta vs tors. theta energy: -242.456
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: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2555.659293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.659293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.013515 (E_RNA)
where:
Base-Base interactions energy: -1771.387
where: short stacking energy: -720.287
Base-Backbone interact. energy: -3.277
local terms energy: -785.349859
where:
bonds (distance) C4'-P energy: -133.253
bonds (distance) P-C4' energy: -149.887
flat angles C4'-P-C4' energy: -164.587
flat angles P-C4'-P energy: -106.786
tors. eta vs tors. theta energy: -230.837
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: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2449.990297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.990297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.158619 (E_RNA)
where:
Base-Base interactions energy: -1731.638
where: short stacking energy: -712.550
Base-Backbone interact. energy: -4.494
local terms energy: -722.027429
where:
bonds (distance) C4'-P energy: -130.865
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -166.576
flat angles P-C4'-P energy: -97.135
tors. eta vs tors. theta energy: -205.624
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: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2415.904787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.904787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.791997 (E_RNA)
where:
Base-Base interactions energy: -1711.351
where: short stacking energy: -716.475
Base-Backbone interact. energy: -1.754
local terms energy: -710.687194
where:
bonds (distance) C4'-P energy: -128.621
bonds (distance) P-C4' energy: -135.885
flat angles C4'-P-C4' energy: -141.166
flat angles P-C4'-P energy: -95.902
tors. eta vs tors. theta energy: -209.114
Dist. restrs. and SS energy: 7.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2307.787290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.787290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.520341 (E_RNA)
where:
Base-Base interactions energy: -1642.065
where: short stacking energy: -664.775
Base-Backbone interact. energy: -3.435
local terms energy: -676.020187
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -142.126
flat angles C4'-P-C4' energy: -145.557
flat angles P-C4'-P energy: -87.607
tors. eta vs tors. theta energy: -186.635
Dist. restrs. and SS energy: 13.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2136.457499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.457499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.181326 (E_RNA)
where:
Base-Base interactions energy: -1487.059
where: short stacking energy: -616.816
Base-Backbone interact. energy: 2.008
local terms energy: -667.130438
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -131.302
flat angles C4'-P-C4' energy: -133.192
flat angles P-C4'-P energy: -83.357
tors. eta vs tors. theta energy: -184.072
Dist. restrs. and SS energy: 15.724 (S_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: 96
Temperature: 1.250000
Total energy: -2138.273690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.273690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.486897 (E_RNA)
where:
Base-Base interactions energy: -1533.691
where: short stacking energy: -653.237
Base-Backbone interact. energy: 0.275
local terms energy: -626.071585
where:
bonds (distance) C4'-P energy: -102.823
bonds (distance) P-C4' energy: -110.993
flat angles C4'-P-C4' energy: -141.859
flat angles P-C4'-P energy: -80.731
tors. eta vs tors. theta energy: -189.667
Dist. restrs. and SS energy: 21.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -2027.063079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.063079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.872291 (E_RNA)
where:
Base-Base interactions energy: -1427.016
where: short stacking energy: -602.289
Base-Backbone interact. energy: 5.241
local terms energy: -628.096816
where:
bonds (distance) C4'-P energy: -116.788
bonds (distance) P-C4' energy: -120.026
flat angles C4'-P-C4' energy: -144.025
flat angles P-C4'-P energy: -78.593
tors. eta vs tors. theta energy: -168.665
Dist. restrs. and SS energy: 22.809 (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: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1884.520545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.520545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.435510 (E_RNA)
where:
Base-Base interactions energy: -1349.998
where: short stacking energy: -528.517
Base-Backbone interact. energy: -0.885
local terms energy: -559.553146
where:
bonds (distance) C4'-P energy: -104.002
bonds (distance) P-C4' energy: -117.813
flat angles C4'-P-C4' energy: -110.174
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -156.611
Dist. restrs. and SS energy: 25.915 (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: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2700.309500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.309500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.379273 (E_RNA)
where:
Base-Base interactions energy: -1888.708
where: short stacking energy: -785.138
Base-Backbone interact. energy: -3.774
local terms energy: -814.897073
where:
bonds (distance) C4'-P energy: -143.639
bonds (distance) P-C4' energy: -155.799
flat angles C4'-P-C4' energy: -174.148
flat angles P-C4'-P energy: -111.598
tors. eta vs tors. theta energy: -229.714
Dist. restrs. and SS energy: 7.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2693.455318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.455318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.260870 (E_RNA)
where:
Base-Base interactions energy: -1870.390
where: short stacking energy: -818.993
Base-Backbone interact. energy: -1.246
local terms energy: -829.625476
where:
bonds (distance) C4'-P energy: -144.617
bonds (distance) P-C4' energy: -142.811
flat angles C4'-P-C4' energy: -174.027
flat angles P-C4'-P energy: -122.418
tors. eta vs tors. theta energy: -245.753
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: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2577.267644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.267644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.768515 (E_RNA)
where:
Base-Base interactions energy: -1819.229
where: short stacking energy: -771.756
Base-Backbone interact. energy: -2.364
local terms energy: -760.175864
where:
bonds (distance) C4'-P energy: -134.601
bonds (distance) P-C4' energy: -124.463
flat angles C4'-P-C4' energy: -166.848
flat angles P-C4'-P energy: -98.874
tors. eta vs tors. theta energy: -235.390
Dist. restrs. and SS energy: 4.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2467.943617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.943617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.723267 (E_RNA)
where:
Base-Base interactions energy: -1736.402
where: short stacking energy: -714.704
Base-Backbone interact. energy: -3.186
local terms energy: -735.135223
where:
bonds (distance) C4'-P energy: -134.436
bonds (distance) P-C4' energy: -122.471
flat angles C4'-P-C4' energy: -157.222
flat angles P-C4'-P energy: -105.504
tors. eta vs tors. theta energy: -215.502
Dist. restrs. and SS energy: 6.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2433.741999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.741999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.198621 (E_RNA)
where:
Base-Base interactions energy: -1716.818
where: short stacking energy: -725.701
Base-Backbone interact. energy: -4.994
local terms energy: -719.386873
where:
bonds (distance) C4'-P energy: -119.512
bonds (distance) P-C4' energy: -121.677
flat angles C4'-P-C4' energy: -162.717
flat angles P-C4'-P energy: -101.175
tors. eta vs tors. theta energy: -214.305
Dist. restrs. and SS energy: 7.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2195.306357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.306357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.338233 (E_RNA)
where:
Base-Base interactions energy: -1524.567
where: short stacking energy: -653.407
Base-Backbone interact. energy: 3.315
local terms energy: -693.086711
where:
bonds (distance) C4'-P energy: -121.433
bonds (distance) P-C4' energy: -137.981
flat angles C4'-P-C4' energy: -146.463
flat angles P-C4'-P energy: -93.007
tors. eta vs tors. theta energy: -194.202
Dist. restrs. and SS energy: 19.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2224.056231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.056231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.351251 (E_RNA)
where:
Base-Base interactions energy: -1569.627
where: short stacking energy: -641.297
Base-Backbone interact. energy: -4.846
local terms energy: -667.877995
where:
bonds (distance) C4'-P energy: -124.251
bonds (distance) P-C4' energy: -123.372
flat angles C4'-P-C4' energy: -148.118
flat angles P-C4'-P energy: -89.760
tors. eta vs tors. theta energy: -182.377
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: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2175.670395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.670395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.465763 (E_RNA)
where:
Base-Base interactions energy: -1566.012
where: short stacking energy: -665.048
Base-Backbone interact. energy: -2.558
local terms energy: -624.896575
where:
bonds (distance) C4'-P energy: -120.102
bonds (distance) P-C4' energy: -119.391
flat angles C4'-P-C4' energy: -113.734
flat angles P-C4'-P energy: -90.673
tors. eta vs tors. theta energy: -180.997
Dist. restrs. and SS energy: 17.795 (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: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -2044.626939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.626939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.631171 (E_RNA)
where:
Base-Base interactions energy: -1432.840
where: short stacking energy: -615.312
Base-Backbone interact. energy: -1.278
local terms energy: -630.512964
where:
bonds (distance) C4'-P energy: -115.628
bonds (distance) P-C4' energy: -121.626
flat angles C4'-P-C4' energy: -137.031
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -173.203
Dist. restrs. and SS energy: 20.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1899.708069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.708069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.183958 (E_RNA)
where:
Base-Base interactions energy: -1362.311
where: short stacking energy: -579.988
Base-Backbone interact. energy: 0.041
local terms energy: -561.914081
where:
bonds (distance) C4'-P energy: -115.377
bonds (distance) P-C4' energy: -90.592
flat angles C4'-P-C4' energy: -117.055
flat angles P-C4'-P energy: -75.949
tors. eta vs tors. theta energy: -162.941
Dist. restrs. and SS energy: 24.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2708.493148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.493148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.418779 (E_RNA)
where:
Base-Base interactions energy: -1905.463
where: short stacking energy: -806.751
Base-Backbone interact. energy: -1.810
local terms energy: -807.145856
where:
bonds (distance) C4'-P energy: -136.749
bonds (distance) P-C4' energy: -142.918
flat angles C4'-P-C4' energy: -169.869
flat angles P-C4'-P energy: -119.943
tors. eta vs tors. theta energy: -237.667
Dist. restrs. and SS energy: 5.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2678.381012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.381012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.511961 (E_RNA)
where:
Base-Base interactions energy: -1859.874
where: short stacking energy: -797.812
Base-Backbone interact. energy: -1.068
local terms energy: -822.569739
where:
bonds (distance) C4'-P energy: -135.012
bonds (distance) P-C4' energy: -146.782
flat angles C4'-P-C4' energy: -169.792
flat angles P-C4'-P energy: -119.024
tors. eta vs tors. theta energy: -251.961
Dist. restrs. and SS energy: 5.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2585.569597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.569597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.728176 (E_RNA)
where:
Base-Base interactions energy: -1787.564
where: short stacking energy: -748.357
Base-Backbone interact. energy: -1.059
local terms energy: -803.104773
where:
bonds (distance) C4'-P energy: -139.473
bonds (distance) P-C4' energy: -149.566
flat angles C4'-P-C4' energy: -163.969
flat angles P-C4'-P energy: -113.355
tors. eta vs tors. theta energy: -236.742
Dist. restrs. and SS energy: 6.159 (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: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2484.699703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.699703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.554316 (E_RNA)
where:
Base-Base interactions energy: -1732.524
where: short stacking energy: -731.077
Base-Backbone interact. energy: -1.503
local terms energy: -758.527384
where:
bonds (distance) C4'-P energy: -122.728
bonds (distance) P-C4' energy: -144.178
flat angles C4'-P-C4' energy: -169.590
flat angles P-C4'-P energy: -105.064
tors. eta vs tors. theta energy: -216.967
Dist. restrs. and SS energy: 7.855 (S_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: 98
Temperature: 1.100000
Total energy: -2432.773668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.773668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.898591 (E_RNA)
where:
Base-Base interactions energy: -1726.277
where: short stacking energy: -728.947
Base-Backbone interact. energy: -8.124
local terms energy: -702.497978
where:
bonds (distance) C4'-P energy: -129.009
bonds (distance) P-C4' energy: -125.870
flat angles C4'-P-C4' energy: -147.860
flat angles P-C4'-P energy: -94.879
tors. eta vs tors. theta energy: -204.879
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: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2247.562987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.562987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.482355 (E_RNA)
where:
Base-Base interactions energy: -1547.449
where: short stacking energy: -650.372
Base-Backbone interact. energy: 0.247
local terms energy: -715.280419
where:
bonds (distance) C4'-P energy: -134.466
bonds (distance) P-C4' energy: -136.127
flat angles C4'-P-C4' energy: -153.367
flat angles P-C4'-P energy: -99.172
tors. eta vs tors. theta energy: -192.148
Dist. restrs. and SS energy: 14.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2220.890715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.890715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.276225 (E_RNA)
where:
Base-Base interactions energy: -1559.239
where: short stacking energy: -660.176
Base-Backbone interact. energy: -1.663
local terms energy: -674.374699
where:
bonds (distance) C4'-P energy: -138.315
bonds (distance) P-C4' energy: -107.352
flat angles C4'-P-C4' energy: -141.387
flat angles P-C4'-P energy: -107.653
tors. eta vs tors. theta energy: -179.666
Dist. restrs. and SS energy: 14.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2145.197021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.197021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.248750 (E_RNA)
where:
Base-Base interactions energy: -1502.467
where: short stacking energy: -621.367
Base-Backbone interact. energy: -2.205
local terms energy: -655.577618
where:
bonds (distance) C4'-P energy: -114.170
bonds (distance) P-C4' energy: -128.995
flat angles C4'-P-C4' energy: -132.092
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -183.176
Dist. restrs. and SS energy: 15.052 (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: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1975.630265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.630265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.341080 (E_RNA)
where:
Base-Base interactions energy: -1411.677
where: short stacking energy: -569.309
Base-Backbone interact. energy: -1.644
local terms energy: -581.020159
where:
bonds (distance) C4'-P energy: -96.983
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -111.549
flat angles P-C4'-P energy: -77.082
tors. eta vs tors. theta energy: -177.510
Dist. restrs. and SS energy: 18.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1940.211412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.211412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.746280 (E_RNA)
where:
Base-Base interactions energy: -1371.584
where: short stacking energy: -579.483
Base-Backbone interact. energy: 1.552
local terms energy: -591.714176
where:
bonds (distance) C4'-P energy: -116.338
bonds (distance) P-C4' energy: -104.638
flat angles C4'-P-C4' energy: -132.492
flat angles P-C4'-P energy: -75.196
tors. eta vs tors. theta energy: -163.051
Dist. restrs. and SS energy: 21.535 (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: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2703.772174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.772174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.289039 (E_RNA)
where:
Base-Base interactions energy: -1904.448
where: short stacking energy: -805.869
Base-Backbone interact. energy: -4.350
local terms energy: -801.491558
where:
bonds (distance) C4'-P energy: -132.381
bonds (distance) P-C4' energy: -141.938
flat angles C4'-P-C4' energy: -180.859
flat angles P-C4'-P energy: -115.970
tors. eta vs tors. theta energy: -230.343
Dist. restrs. and SS energy: 6.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2707.037097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.037097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.599834 (E_RNA)
where:
Base-Base interactions energy: -1930.848
where: short stacking energy: -836.312
Base-Backbone interact. energy: -3.583
local terms energy: -776.168654
where:
bonds (distance) C4'-P energy: -125.799
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -176.232
flat angles P-C4'-P energy: -90.707
tors. eta vs tors. theta energy: -249.161
Dist. restrs. and SS energy: 3.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2564.042515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.042515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.438924 (E_RNA)
where:
Base-Base interactions energy: -1813.633
where: short stacking energy: -761.361
Base-Backbone interact. energy: -0.626
local terms energy: -755.179762
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -138.420
flat angles C4'-P-C4' energy: -160.373
flat angles P-C4'-P energy: -107.531
tors. eta vs tors. theta energy: -229.268
Dist. restrs. and SS energy: 5.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2466.676539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.676539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.254936 (E_RNA)
where:
Base-Base interactions energy: -1721.129
where: short stacking energy: -737.997
Base-Backbone interact. energy: -0.659
local terms energy: -754.467550
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -144.560
flat angles C4'-P-C4' energy: -160.628
flat angles P-C4'-P energy: -103.086
tors. eta vs tors. theta energy: -216.374
Dist. restrs. and SS energy: 9.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2387.598238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.598238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.405600 (E_RNA)
where:
Base-Base interactions energy: -1675.407
where: short stacking energy: -710.314
Base-Backbone interact. energy: 0.188
local terms energy: -718.186866
where:
bonds (distance) C4'-P energy: -128.114
bonds (distance) P-C4' energy: -120.834
flat angles C4'-P-C4' energy: -146.870
flat angles P-C4'-P energy: -98.326
tors. eta vs tors. theta energy: -224.043
Dist. restrs. and SS energy: 5.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2292.638165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.638165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.212523 (E_RNA)
where:
Base-Base interactions energy: -1613.821
where: short stacking energy: -662.229
Base-Backbone interact. energy: 1.840
local terms energy: -694.231159
where:
bonds (distance) C4'-P energy: -122.867
bonds (distance) P-C4' energy: -130.097
flat angles C4'-P-C4' energy: -167.368
flat angles P-C4'-P energy: -82.623
tors. eta vs tors. theta energy: -191.276
Dist. restrs. and SS energy: 13.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2210.574590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.574590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.184798 (E_RNA)
where:
Base-Base interactions energy: -1546.748
where: short stacking energy: -652.005
Base-Backbone interact. energy: -0.847
local terms energy: -678.589819
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -119.399
flat angles C4'-P-C4' energy: -138.875
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -191.139
Dist. restrs. and SS energy: 15.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2121.151463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.151463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.195153 (E_RNA)
where:
Base-Base interactions energy: -1496.616
where: short stacking energy: -621.333
Base-Backbone interact. energy: -0.364
local terms energy: -638.214981
where:
bonds (distance) C4'-P energy: -110.552
bonds (distance) P-C4' energy: -115.472
flat angles C4'-P-C4' energy: -152.530
flat angles P-C4'-P energy: -92.859
tors. eta vs tors. theta energy: -166.802
Dist. restrs. and SS energy: 14.044 (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: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1953.358851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.358851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.279216 (E_RNA)
where:
Base-Base interactions energy: -1412.111
where: short stacking energy: -595.761
Base-Backbone interact. energy: 3.992
local terms energy: -571.160268
where:
bonds (distance) C4'-P energy: -109.699
bonds (distance) P-C4' energy: -110.223
flat angles C4'-P-C4' energy: -138.391
flat angles P-C4'-P energy: -55.973
tors. eta vs tors. theta energy: -156.876
Dist. restrs. and SS energy: 25.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1937.657068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.657068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.685409 (E_RNA)
where:
Base-Base interactions energy: -1355.572
where: short stacking energy: -569.149
Base-Backbone interact. energy: -2.770
local terms energy: -607.344013
where:
bonds (distance) C4'-P energy: -119.465
bonds (distance) P-C4' energy: -96.939
flat angles C4'-P-C4' energy: -122.970
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -173.039
Dist. restrs. and SS energy: 28.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2751.094226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.094226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.503442 (E_RNA)
where:
Base-Base interactions energy: -1941.051
where: short stacking energy: -808.018
Base-Backbone interact. energy: -0.180
local terms energy: -813.271956
where:
bonds (distance) C4'-P energy: -142.120
bonds (distance) P-C4' energy: -141.487
flat angles C4'-P-C4' energy: -173.507
flat angles P-C4'-P energy: -113.653
tors. eta vs tors. theta energy: -242.506
Dist. restrs. and SS energy: 3.409 (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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2631.656170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.656170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.594574 (E_RNA)
where:
Base-Base interactions energy: -1841.835
where: short stacking energy: -776.778
Base-Backbone interact. energy: -5.041
local terms energy: -791.718431
where:
bonds (distance) C4'-P energy: -116.474
bonds (distance) P-C4' energy: -146.443
flat angles C4'-P-C4' energy: -166.377
flat angles P-C4'-P energy: -123.258
tors. eta vs tors. theta energy: -239.167
Dist. restrs. and SS energy: 6.938 (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: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2570.588859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.588859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.635397 (E_RNA)
where:
Base-Base interactions energy: -1809.573
where: short stacking energy: -761.920
Base-Backbone interact. energy: -3.433
local terms energy: -766.629586
where:
bonds (distance) C4'-P energy: -150.771
bonds (distance) P-C4' energy: -140.980
flat angles C4'-P-C4' energy: -153.992
flat angles P-C4'-P energy: -101.796
tors. eta vs tors. theta energy: -219.091
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2491.321243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.321243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.564630 (E_RNA)
where:
Base-Base interactions energy: -1741.212
where: short stacking energy: -744.217
Base-Backbone interact. energy: -3.096
local terms energy: -757.256706
where:
bonds (distance) C4'-P energy: -146.399
bonds (distance) P-C4' energy: -118.904
flat angles C4'-P-C4' energy: -150.255
flat angles P-C4'-P energy: -115.023
tors. eta vs tors. theta energy: -226.676
Dist. restrs. and SS energy: 10.243 (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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2372.380627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.380627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.996176 (E_RNA)
where:
Base-Base interactions energy: -1650.864
where: short stacking energy: -706.282
Base-Backbone interact. energy: -1.952
local terms energy: -726.180891
where:
bonds (distance) C4'-P energy: -134.152
bonds (distance) P-C4' energy: -127.963
flat angles C4'-P-C4' energy: -154.159
flat angles P-C4'-P energy: -101.355
tors. eta vs tors. theta energy: -208.552
Dist. restrs. and SS energy: 6.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2264.655067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.655067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.525026 (E_RNA)
where:
Base-Base interactions energy: -1563.466
where: short stacking energy: -653.011
Base-Backbone interact. energy: -2.874
local terms energy: -707.185639
where:
bonds (distance) C4'-P energy: -135.450
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -150.480
flat angles P-C4'-P energy: -103.385
tors. eta vs tors. theta energy: -191.446
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: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2232.885758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.885758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.050616 (E_RNA)
where:
Base-Base interactions energy: -1551.624
where: short stacking energy: -660.905
Base-Backbone interact. energy: -2.405
local terms energy: -705.022051
where:
bonds (distance) C4'-P energy: -133.293
bonds (distance) P-C4' energy: -144.958
flat angles C4'-P-C4' energy: -130.508
flat angles P-C4'-P energy: -94.545
tors. eta vs tors. theta energy: -201.718
Dist. restrs. and SS energy: 26.165 (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: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2163.040951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.040951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.201930 (E_RNA)
where:
Base-Base interactions energy: -1515.347
where: short stacking energy: -589.011
Base-Backbone interact. energy: -2.141
local terms energy: -662.714022
where:
bonds (distance) C4'-P energy: -110.798
bonds (distance) P-C4' energy: -140.343
flat angles C4'-P-C4' energy: -133.921
flat angles P-C4'-P energy: -93.702
tors. eta vs tors. theta energy: -183.949
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: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1952.726576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.256397 (E_RNA)
where:
Base-Base interactions energy: -1395.899
where: short stacking energy: -562.602
Base-Backbone interact. energy: -0.967
local terms energy: -575.390243
where:
bonds (distance) C4'-P energy: -111.076
bonds (distance) P-C4' energy: -96.776
flat angles C4'-P-C4' energy: -138.152
flat angles P-C4'-P energy: -73.643
tors. eta vs tors. theta energy: -155.744
Dist. restrs. and SS energy: 19.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1956.452038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.452038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.239343 (E_RNA)
where:
Base-Base interactions energy: -1402.059
where: short stacking energy: -577.744
Base-Backbone interact. energy: 0.653
local terms energy: -580.833443
where:
bonds (distance) C4'-P energy: -101.875
bonds (distance) P-C4' energy: -117.569
flat angles C4'-P-C4' energy: -118.159
flat angles P-C4'-P energy: -77.635
tors. eta vs tors. theta energy: -165.595
Dist. restrs. and SS energy: 25.787 (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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2746.805907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.805907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.298072 (E_RNA)
where:
Base-Base interactions energy: -1946.226
where: short stacking energy: -824.731
Base-Backbone interact. energy: -3.268
local terms energy: -800.804694
where:
bonds (distance) C4'-P energy: -135.488
bonds (distance) P-C4' energy: -140.280
flat angles C4'-P-C4' energy: -160.052
flat angles P-C4'-P energy: -118.427
tors. eta vs tors. theta energy: -246.559
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2650.719292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.719292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.981016 (E_RNA)
where:
Base-Base interactions energy: -1873.413
where: short stacking energy: -775.071
Base-Backbone interact. energy: -1.025
local terms energy: -781.542932
where:
bonds (distance) C4'-P energy: -142.863
bonds (distance) P-C4' energy: -140.569
flat angles C4'-P-C4' energy: -151.627
flat angles P-C4'-P energy: -113.318
tors. eta vs tors. theta energy: -233.166
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: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2605.875910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.875910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.560219 (E_RNA)
where:
Base-Base interactions energy: -1841.683
where: short stacking energy: -771.266
Base-Backbone interact. energy: -1.963
local terms energy: -768.914019
where:
bonds (distance) C4'-P energy: -135.929
bonds (distance) P-C4' energy: -125.282
flat angles C4'-P-C4' energy: -159.065
flat angles P-C4'-P energy: -114.866
tors. eta vs tors. theta energy: -233.772
Dist. restrs. and SS energy: 6.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2514.634684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.634684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.055455 (E_RNA)
where:
Base-Base interactions energy: -1784.411
where: short stacking energy: -751.804
Base-Backbone interact. energy: 1.207
local terms energy: -738.850767
where:
bonds (distance) C4'-P energy: -128.899
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -147.134
flat angles P-C4'-P energy: -104.748
tors. eta vs tors. theta energy: -229.880
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2395.985200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.985200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.223484 (E_RNA)
where:
Base-Base interactions energy: -1673.690
where: short stacking energy: -717.422
Base-Backbone interact. energy: -3.115
local terms energy: -727.417824
where:
bonds (distance) C4'-P energy: -152.680
bonds (distance) P-C4' energy: -126.411
flat angles C4'-P-C4' energy: -141.265
flat angles P-C4'-P energy: -106.365
tors. eta vs tors. theta energy: -200.696
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: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2296.837673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.837673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.066519 (E_RNA)
where:
Base-Base interactions energy: -1587.531
where: short stacking energy: -660.929
Base-Backbone interact. energy: 1.681
local terms energy: -721.217179
where:
bonds (distance) C4'-P energy: -137.503
bonds (distance) P-C4' energy: -133.757
flat angles C4'-P-C4' energy: -155.860
flat angles P-C4'-P energy: -105.236
tors. eta vs tors. theta energy: -188.862
Dist. restrs. and SS energy: 10.229 (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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2200.895110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.895110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.354483 (E_RNA)
where:
Base-Base interactions energy: -1538.359
where: short stacking energy: -631.463
Base-Backbone interact. energy: -1.818
local terms energy: -675.177813
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -153.287
flat angles C4'-P-C4' energy: -133.342
flat angles P-C4'-P energy: -82.817
tors. eta vs tors. theta energy: -187.679
Dist. restrs. and SS energy: 14.459 (S_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: 101
Temperature: 1.250000
Total energy: -2164.806055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.806055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.377611 (E_RNA)
where:
Base-Base interactions energy: -1547.614
where: short stacking energy: -643.476
Base-Backbone interact. energy: -0.612
local terms energy: -631.151783
where:
bonds (distance) C4'-P energy: -105.108
bonds (distance) P-C4' energy: -129.356
flat angles C4'-P-C4' energy: -143.932
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -185.893
Dist. restrs. and SS energy: 14.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1957.957261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.957261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.564165 (E_RNA)
where:
Base-Base interactions energy: -1410.403
where: short stacking energy: -577.551
Base-Backbone interact. energy: -0.677
local terms energy: -568.484244
where:
bonds (distance) C4'-P energy: -87.718
bonds (distance) P-C4' energy: -93.298
flat angles C4'-P-C4' energy: -128.333
flat angles P-C4'-P energy: -82.074
tors. eta vs tors. theta energy: -177.061
Dist. restrs. and SS energy: 21.607 (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: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1993.314903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.314903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.379360 (E_RNA)
where:
Base-Base interactions energy: -1404.802
where: short stacking energy: -583.887
Base-Backbone interact. energy: -3.416
local terms energy: -608.161110
where:
bonds (distance) C4'-P energy: -105.992
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -131.282
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -186.955
Dist. restrs. and SS energy: 23.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2760.282486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.282486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.811841 (E_RNA)
where:
Base-Base interactions energy: -1945.146
where: short stacking energy: -840.402
Base-Backbone interact. energy: 1.120
local terms energy: -818.785221
where:
bonds (distance) C4'-P energy: -154.219
bonds (distance) P-C4' energy: -144.895
flat angles C4'-P-C4' energy: -152.205
flat angles P-C4'-P energy: -112.343
tors. eta vs tors. theta energy: -255.123
Dist. restrs. and SS energy: 2.529 (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: 102
Temperature: 0.950000
Total energy: -2671.257955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.257955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.765829 (E_RNA)
where:
Base-Base interactions energy: -1883.110
where: short stacking energy: -771.679
Base-Backbone interact. energy: -3.956
local terms energy: -788.700443
where:
bonds (distance) C4'-P energy: -128.029
bonds (distance) P-C4' energy: -150.581
flat angles C4'-P-C4' energy: -160.085
flat angles P-C4'-P energy: -111.738
tors. eta vs tors. theta energy: -238.268
Dist. restrs. and SS energy: 4.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2582.007685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.007685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.860909 (E_RNA)
where:
Base-Base interactions energy: -1829.620
where: short stacking energy: -759.004
Base-Backbone interact. energy: -3.504
local terms energy: -754.736389
where:
bonds (distance) C4'-P energy: -125.562
bonds (distance) P-C4' energy: -150.139
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -103.528
tors. eta vs tors. theta energy: -224.793
Dist. restrs. and SS energy: 5.853 (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: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2489.444096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.444096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.475059 (E_RNA)
where:
Base-Base interactions energy: -1763.966
where: short stacking energy: -724.039
Base-Backbone interact. energy: -0.250
local terms energy: -735.258666
where:
bonds (distance) C4'-P energy: -136.526
bonds (distance) P-C4' energy: -132.139
flat angles C4'-P-C4' energy: -158.572
flat angles P-C4'-P energy: -93.005
tors. eta vs tors. theta energy: -215.016
Dist. restrs. and SS energy: 10.031 (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: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2395.067121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.067121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.566383 (E_RNA)
where:
Base-Base interactions energy: -1683.702
where: short stacking energy: -678.527
Base-Backbone interact. energy: -2.125
local terms energy: -716.738918
where:
bonds (distance) C4'-P energy: -138.950
bonds (distance) P-C4' energy: -129.675
flat angles C4'-P-C4' energy: -148.775
flat angles P-C4'-P energy: -94.060
tors. eta vs tors. theta energy: -205.279
Dist. restrs. and SS energy: 7.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2271.257655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.257655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.315873 (E_RNA)
where:
Base-Base interactions energy: -1566.703
where: short stacking energy: -651.598
Base-Backbone interact. energy: -2.552
local terms energy: -715.060132
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -140.314
flat angles C4'-P-C4' energy: -155.335
flat angles P-C4'-P energy: -96.190
tors. eta vs tors. theta energy: -193.125
Dist. restrs. and SS energy: 13.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2220.409255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.409255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.533544 (E_RNA)
where:
Base-Base interactions energy: -1540.138
where: short stacking energy: -637.736
Base-Backbone interact. energy: -2.729
local terms energy: -692.666585
where:
bonds (distance) C4'-P energy: -125.888
bonds (distance) P-C4' energy: -129.016
flat angles C4'-P-C4' energy: -147.771
flat angles P-C4'-P energy: -101.009
tors. eta vs tors. theta energy: -188.984
Dist. restrs. and SS energy: 15.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2165.180642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.180642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.716279 (E_RNA)
where:
Base-Base interactions energy: -1532.440
where: short stacking energy: -641.747
Base-Backbone interact. energy: -1.190
local terms energy: -643.085892
where:
bonds (distance) C4'-P energy: -117.458
bonds (distance) P-C4' energy: -112.388
flat angles C4'-P-C4' energy: -132.560
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -201.426
Dist. restrs. and SS energy: 11.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -2018.197364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.197364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.356830 (E_RNA)
where:
Base-Base interactions energy: -1415.588
where: short stacking energy: -604.310
Base-Backbone interact. energy: 3.160
local terms energy: -629.928820
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -117.254
flat angles C4'-P-C4' energy: -138.924
flat angles P-C4'-P energy: -86.869
tors. eta vs tors. theta energy: -166.981
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: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1887.115173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.115173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.270750 (E_RNA)
where:
Base-Base interactions energy: -1362.933
where: short stacking energy: -551.374
Base-Backbone interact. energy: -0.102
local terms energy: -544.236202
where:
bonds (distance) C4'-P energy: -118.558
bonds (distance) P-C4' energy: -104.146
flat angles C4'-P-C4' energy: -118.452
flat angles P-C4'-P energy: -56.851
tors. eta vs tors. theta energy: -146.230
Dist. restrs. and SS energy: 20.156 (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: 103
Temperature: 0.900000
Total energy: -2756.418944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.418944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.732045 (E_RNA)
where:
Base-Base interactions energy: -1922.356
where: short stacking energy: -845.029
Base-Backbone interact. energy: -0.822
local terms energy: -837.553361
where:
bonds (distance) C4'-P energy: -143.450
bonds (distance) P-C4' energy: -150.790
flat angles C4'-P-C4' energy: -172.029
flat angles P-C4'-P energy: -114.309
tors. eta vs tors. theta energy: -256.976
Dist. restrs. and SS energy: 4.313 (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: 103
Temperature: 0.950000
Total energy: -2677.133921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.133921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.850997 (E_RNA)
where:
Base-Base interactions energy: -1869.134
where: short stacking energy: -770.209
Base-Backbone interact. energy: -3.088
local terms energy: -810.629223
where:
bonds (distance) C4'-P energy: -137.554
bonds (distance) P-C4' energy: -139.394
flat angles C4'-P-C4' energy: -177.189
flat angles P-C4'-P energy: -121.039
tors. eta vs tors. theta energy: -235.454
Dist. restrs. and SS energy: 5.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2603.615143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.615143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.936718 (E_RNA)
where:
Base-Base interactions energy: -1816.292
where: short stacking energy: -772.489
Base-Backbone interact. energy: -2.852
local terms energy: -792.792377
where:
bonds (distance) C4'-P energy: -140.456
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -162.448
flat angles P-C4'-P energy: -115.975
tors. eta vs tors. theta energy: -237.005
Dist. restrs. and SS energy: 8.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2452.910000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.910000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.915629 (E_RNA)
where:
Base-Base interactions energy: -1714.531
where: short stacking energy: -750.996
Base-Backbone interact. energy: -0.762
local terms energy: -745.622457
where:
bonds (distance) C4'-P energy: -125.229
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -161.993
flat angles P-C4'-P energy: -98.705
tors. eta vs tors. theta energy: -235.327
Dist. restrs. and SS energy: 8.006 (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: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2413.853251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.853251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.895075 (E_RNA)
where:
Base-Base interactions energy: -1710.818
where: short stacking energy: -742.387
Base-Backbone interact. energy: -1.970
local terms energy: -711.107234
where:
bonds (distance) C4'-P energy: -110.934
bonds (distance) P-C4' energy: -119.810
flat angles C4'-P-C4' energy: -152.203
flat angles P-C4'-P energy: -114.175
tors. eta vs tors. theta energy: -213.986
Dist. restrs. and SS energy: 10.042 (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: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2268.853950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.853950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.695296 (E_RNA)
where:
Base-Base interactions energy: -1599.450
where: short stacking energy: -687.692
Base-Backbone interact. energy: -2.054
local terms energy: -679.191478
where:
bonds (distance) C4'-P energy: -127.743
bonds (distance) P-C4' energy: -121.421
flat angles C4'-P-C4' energy: -147.877
flat angles P-C4'-P energy: -97.314
tors. eta vs tors. theta energy: -184.836
Dist. restrs. and SS energy: 11.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2233.660288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.660288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.294695 (E_RNA)
where:
Base-Base interactions energy: -1550.136
where: short stacking energy: -663.473
Base-Backbone interact. energy: 0.837
local terms energy: -700.994928
where:
bonds (distance) C4'-P energy: -133.707
bonds (distance) P-C4' energy: -123.823
flat angles C4'-P-C4' energy: -149.052
flat angles P-C4'-P energy: -94.272
tors. eta vs tors. theta energy: -200.141
Dist. restrs. and SS energy: 16.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2086.302235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.302235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.668576 (E_RNA)
where:
Base-Base interactions energy: -1498.302
where: short stacking energy: -617.316
Base-Backbone interact. energy: -1.669
local terms energy: -600.697756
where:
bonds (distance) C4'-P energy: -83.733
bonds (distance) P-C4' energy: -109.111
flat angles C4'-P-C4' energy: -143.403
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -177.177
Dist. restrs. and SS energy: 14.366 (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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -2045.750488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.750488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.931065 (E_RNA)
where:
Base-Base interactions energy: -1448.126
where: short stacking energy: -612.250
Base-Backbone interact. energy: 1.455
local terms energy: -620.260177
where:
bonds (distance) C4'-P energy: -100.329
bonds (distance) P-C4' energy: -114.776
flat angles C4'-P-C4' energy: -136.849
flat angles P-C4'-P energy: -96.710
tors. eta vs tors. theta energy: -171.597
Dist. restrs. and SS energy: 21.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1916.518214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.518214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.087825 (E_RNA)
where:
Base-Base interactions energy: -1359.442
where: short stacking energy: -542.788
Base-Backbone interact. energy: -3.249
local terms energy: -581.396511
where:
bonds (distance) C4'-P energy: -102.417
bonds (distance) P-C4' energy: -112.410
flat angles C4'-P-C4' energy: -137.197
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -157.830
Dist. restrs. and SS energy: 27.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2739.054167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.054167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.637138 (E_RNA)
where:
Base-Base interactions energy: -1909.922
where: short stacking energy: -818.183
Base-Backbone interact. energy: -2.006
local terms energy: -829.709280
where:
bonds (distance) C4'-P energy: -139.344
bonds (distance) P-C4' energy: -136.664
flat angles C4'-P-C4' energy: -167.706
flat angles P-C4'-P energy: -124.389
tors. eta vs tors. theta energy: -261.606
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2662.777990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.777990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.264801 (E_RNA)
where:
Base-Base interactions energy: -1870.638
where: short stacking energy: -784.475
Base-Backbone interact. energy: -4.465
local terms energy: -798.161718
where:
bonds (distance) C4'-P energy: -136.082
bonds (distance) P-C4' energy: -136.778
flat angles C4'-P-C4' energy: -169.870
flat angles P-C4'-P energy: -116.947
tors. eta vs tors. theta energy: -238.485
Dist. restrs. and SS energy: 10.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2589.006298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.006298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.852670 (E_RNA)
where:
Base-Base interactions energy: -1820.758
where: short stacking energy: -782.742
Base-Backbone interact. energy: -1.558
local terms energy: -777.536552
where:
bonds (distance) C4'-P energy: -133.619
bonds (distance) P-C4' energy: -144.150
flat angles C4'-P-C4' energy: -153.092
flat angles P-C4'-P energy: -116.353
tors. eta vs tors. theta energy: -230.324
Dist. restrs. and SS energy: 10.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2463.112199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.112199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.834901 (E_RNA)
where:
Base-Base interactions energy: -1710.373
where: short stacking energy: -737.167
Base-Backbone interact. energy: 0.185
local terms energy: -762.646949
where:
bonds (distance) C4'-P energy: -126.123
bonds (distance) P-C4' energy: -140.799
flat angles C4'-P-C4' energy: -157.237
flat angles P-C4'-P energy: -118.469
tors. eta vs tors. theta energy: -220.019
Dist. restrs. and SS energy: 9.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2421.528928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.528928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.044945 (E_RNA)
where:
Base-Base interactions energy: -1706.430
where: short stacking energy: -736.897
Base-Backbone interact. energy: 0.688
local terms energy: -724.303409
where:
bonds (distance) C4'-P energy: -123.434
bonds (distance) P-C4' energy: -116.961
flat angles C4'-P-C4' energy: -157.772
flat angles P-C4'-P energy: -114.820
tors. eta vs tors. theta energy: -211.317
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: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2264.994326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.994326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.082722 (E_RNA)
where:
Base-Base interactions energy: -1591.585
where: short stacking energy: -682.862
Base-Backbone interact. energy: -2.473
local terms energy: -691.024802
where:
bonds (distance) C4'-P energy: -122.738
bonds (distance) P-C4' energy: -115.971
flat angles C4'-P-C4' energy: -149.149
flat angles P-C4'-P energy: -106.354
tors. eta vs tors. theta energy: -196.813
Dist. restrs. and SS energy: 20.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2241.831590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.831590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.684110 (E_RNA)
where:
Base-Base interactions energy: -1593.930
where: short stacking energy: -647.238
Base-Backbone interact. energy: -2.082
local terms energy: -661.671440
where:
bonds (distance) C4'-P energy: -104.634
bonds (distance) P-C4' energy: -108.197
flat angles C4'-P-C4' energy: -159.680
flat angles P-C4'-P energy: -98.297
tors. eta vs tors. theta energy: -190.864
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: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2094.170504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.170504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.442089 (E_RNA)
where:
Base-Base interactions energy: -1480.389
where: short stacking energy: -622.241
Base-Backbone interact. energy: -1.331
local terms energy: -623.722229
where:
bonds (distance) C4'-P energy: -109.419
bonds (distance) P-C4' energy: -115.447
flat angles C4'-P-C4' energy: -121.983
flat angles P-C4'-P energy: -93.071
tors. eta vs tors. theta energy: -183.803
Dist. restrs. and SS energy: 11.272 (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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -2018.166673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.166673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.900112 (E_RNA)
where:
Base-Base interactions energy: -1458.587
where: short stacking energy: -619.337
Base-Backbone interact. energy: -2.007
local terms energy: -576.306681
where:
bonds (distance) C4'-P energy: -88.398
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -122.986
flat angles P-C4'-P energy: -88.009
tors. eta vs tors. theta energy: -180.887
Dist. restrs. and SS energy: 18.733 (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: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1864.952901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.952901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.593078 (E_RNA)
where:
Base-Base interactions energy: -1328.547
where: short stacking energy: -561.406
Base-Backbone interact. energy: -1.632
local terms energy: -558.413620
where:
bonds (distance) C4'-P energy: -99.012
bonds (distance) P-C4' energy: -118.785
flat angles C4'-P-C4' energy: -117.553
flat angles P-C4'-P energy: -57.383
tors. eta vs tors. theta energy: -165.681
Dist. restrs. and SS energy: 23.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2749.169486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.169486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.676829 (E_RNA)
where:
Base-Base interactions energy: -1910.365
where: short stacking energy: -817.522
Base-Backbone interact. energy: -3.289
local terms energy: -838.022083
where:
bonds (distance) C4'-P energy: -154.982
bonds (distance) P-C4' energy: -152.165
flat angles C4'-P-C4' energy: -165.625
flat angles P-C4'-P energy: -113.917
tors. eta vs tors. theta energy: -251.333
Dist. restrs. and SS energy: 2.507 (S_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: 105
Temperature: 0.950000
Total energy: -2653.319336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.319336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.059563 (E_RNA)
where:
Base-Base interactions energy: -1882.342
where: short stacking energy: -784.106
Base-Backbone interact. energy: -1.366
local terms energy: -775.351685
where:
bonds (distance) C4'-P energy: -134.120
bonds (distance) P-C4' energy: -128.385
flat angles C4'-P-C4' energy: -167.556
flat angles P-C4'-P energy: -108.942
tors. eta vs tors. theta energy: -236.348
Dist. restrs. and SS energy: 5.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2572.758965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.758965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.835080 (E_RNA)
where:
Base-Base interactions energy: -1802.718
where: short stacking energy: -764.286
Base-Backbone interact. energy: -0.932
local terms energy: -784.185195
where:
bonds (distance) C4'-P energy: -137.417
bonds (distance) P-C4' energy: -143.167
flat angles C4'-P-C4' energy: -163.118
flat angles P-C4'-P energy: -113.480
tors. eta vs tors. theta energy: -227.002
Dist. restrs. and SS energy: 15.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2453.053624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.053624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.842670 (E_RNA)
where:
Base-Base interactions energy: -1691.596
where: short stacking energy: -709.184
Base-Backbone interact. energy: -1.377
local terms energy: -764.870075
where:
bonds (distance) C4'-P energy: -145.368
bonds (distance) P-C4' energy: -143.372
flat angles C4'-P-C4' energy: -163.801
flat angles P-C4'-P energy: -99.953
tors. eta vs tors. theta energy: -212.377
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2395.096566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.096566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.031184 (E_RNA)
where:
Base-Base interactions energy: -1662.748
where: short stacking energy: -699.426
Base-Backbone interact. energy: -4.849
local terms energy: -734.434516
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -133.627
flat angles C4'-P-C4' energy: -160.458
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -224.959
Dist. restrs. and SS energy: 6.935 (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: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2280.065225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.065225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.855526 (E_RNA)
where:
Base-Base interactions energy: -1579.104
where: short stacking energy: -656.560
Base-Backbone interact. energy: -5.579
local terms energy: -707.172788
where:
bonds (distance) C4'-P energy: -111.163
bonds (distance) P-C4' energy: -140.904
flat angles C4'-P-C4' energy: -158.653
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -198.639
Dist. restrs. and SS energy: 11.790 (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: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2239.305414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.305414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.789456 (E_RNA)
where:
Base-Base interactions energy: -1578.206
where: short stacking energy: -664.360
Base-Backbone interact. energy: -1.979
local terms energy: -671.604982
where:
bonds (distance) C4'-P energy: -135.887
bonds (distance) P-C4' energy: -122.460
flat angles C4'-P-C4' energy: -140.190
flat angles P-C4'-P energy: -88.913
tors. eta vs tors. theta energy: -184.155
Dist. restrs. and SS energy: 12.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2048.353626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.353626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.730207 (E_RNA)
where:
Base-Base interactions energy: -1470.971
where: short stacking energy: -655.827
Base-Backbone interact. energy: -1.451
local terms energy: -595.307952
where:
bonds (distance) C4'-P energy: -100.565
bonds (distance) P-C4' energy: -93.414
flat angles C4'-P-C4' energy: -139.724
flat angles P-C4'-P energy: -83.913
tors. eta vs tors. theta energy: -177.692
Dist. restrs. and SS energy: 19.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -2029.898383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.898383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.863193 (E_RNA)
where:
Base-Base interactions energy: -1431.203
where: short stacking energy: -603.646
Base-Backbone interact. energy: 1.368
local terms energy: -622.028594
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -137.250
flat angles P-C4'-P energy: -91.716
tors. eta vs tors. theta energy: -176.524
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: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1900.683693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.683693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.408348 (E_RNA)
where:
Base-Base interactions energy: -1347.545
where: short stacking energy: -553.307
Base-Backbone interact. energy: 4.922
local terms energy: -580.785124
where:
bonds (distance) C4'-P energy: -117.341
bonds (distance) P-C4' energy: -111.083
flat angles C4'-P-C4' energy: -143.426
flat angles P-C4'-P energy: -72.755
tors. eta vs tors. theta energy: -136.180
Dist. restrs. and SS energy: 22.725 (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: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2739.569128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.569128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.980459 (E_RNA)
where:
Base-Base interactions energy: -1919.920
where: short stacking energy: -813.565
Base-Backbone interact. energy: -3.195
local terms energy: -817.865954
where:
bonds (distance) C4'-P energy: -129.884
bonds (distance) P-C4' energy: -148.178
flat angles C4'-P-C4' energy: -176.120
flat angles P-C4'-P energy: -119.454
tors. eta vs tors. theta energy: -244.230
Dist. restrs. and SS energy: 1.411 (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: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2663.445200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.445200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.704366 (E_RNA)
where:
Base-Base interactions energy: -1849.530
where: short stacking energy: -786.823
Base-Backbone interact. energy: -5.360
local terms energy: -813.814613
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -145.807
flat angles C4'-P-C4' energy: -175.716
flat angles P-C4'-P energy: -112.259
tors. eta vs tors. theta energy: -236.368
Dist. restrs. and SS energy: 5.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2602.466787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.466787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.196143 (E_RNA)
where:
Base-Base interactions energy: -1828.287
where: short stacking energy: -791.761
Base-Backbone interact. energy: -2.187
local terms energy: -783.722597
where:
bonds (distance) C4'-P energy: -130.330
bonds (distance) P-C4' energy: -149.018
flat angles C4'-P-C4' energy: -169.098
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -235.684
Dist. restrs. and SS energy: 11.729 (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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2477.085224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.085224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.813720 (E_RNA)
where:
Base-Base interactions energy: -1750.696
where: short stacking energy: -734.585
Base-Backbone interact. energy: -3.113
local terms energy: -728.004413
where:
bonds (distance) C4'-P energy: -126.944
bonds (distance) P-C4' energy: -122.226
flat angles C4'-P-C4' energy: -157.652
flat angles P-C4'-P energy: -103.337
tors. eta vs tors. theta energy: -217.845
Dist. restrs. and SS energy: 4.728 (S_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: 106
Temperature: 1.100000
Total energy: -2390.162748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.162748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.501756 (E_RNA)
where:
Base-Base interactions energy: -1680.697
where: short stacking energy: -708.473
Base-Backbone interact. energy: -0.477
local terms energy: -718.327601
where:
bonds (distance) C4'-P energy: -133.294
bonds (distance) P-C4' energy: -131.279
flat angles C4'-P-C4' energy: -141.186
flat angles P-C4'-P energy: -105.477
tors. eta vs tors. theta energy: -207.091
Dist. restrs. and SS energy: 9.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2268.124842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.124842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.937873 (E_RNA)
where:
Base-Base interactions energy: -1598.390
where: short stacking energy: -673.110
Base-Backbone interact. energy: -1.946
local terms energy: -676.601850
where:
bonds (distance) C4'-P energy: -123.671
bonds (distance) P-C4' energy: -119.655
flat angles C4'-P-C4' energy: -145.224
flat angles P-C4'-P energy: -96.432
tors. eta vs tors. theta energy: -191.621
Dist. restrs. and SS energy: 8.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2231.017007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.017007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.247423 (E_RNA)
where:
Base-Base interactions energy: -1558.149
where: short stacking energy: -655.633
Base-Backbone interact. energy: -3.060
local terms energy: -687.038297
where:
bonds (distance) C4'-P energy: -114.581
bonds (distance) P-C4' energy: -123.238
flat angles C4'-P-C4' energy: -147.935
flat angles P-C4'-P energy: -84.477
tors. eta vs tors. theta energy: -216.807
Dist. restrs. and SS energy: 17.230 (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: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2087.823807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.823807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.836673 (E_RNA)
where:
Base-Base interactions energy: -1468.147
where: short stacking energy: -625.306
Base-Backbone interact. energy: -0.168
local terms energy: -635.520911
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -117.380
flat angles C4'-P-C4' energy: -140.262
flat angles P-C4'-P energy: -90.477
tors. eta vs tors. theta energy: -175.599
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: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -2005.566523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.566523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.929059 (E_RNA)
where:
Base-Base interactions energy: -1425.565
where: short stacking energy: -603.068
Base-Backbone interact. energy: -2.927
local terms energy: -600.436386
where:
bonds (distance) C4'-P energy: -123.212
bonds (distance) P-C4' energy: -115.862
flat angles C4'-P-C4' energy: -118.267
flat angles P-C4'-P energy: -76.471
tors. eta vs tors. theta energy: -166.624
Dist. restrs. and SS energy: 23.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1905.466314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.466314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.304726 (E_RNA)
where:
Base-Base interactions energy: -1340.299
where: short stacking energy: -544.578
Base-Backbone interact. energy: -3.888
local terms energy: -588.118448
where:
bonds (distance) C4'-P energy: -114.043
bonds (distance) P-C4' energy: -112.125
flat angles C4'-P-C4' energy: -145.904
flat angles P-C4'-P energy: -57.503
tors. eta vs tors. theta energy: -158.542
Dist. restrs. and SS energy: 26.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2763.630943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.630943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.167917 (E_RNA)
where:
Base-Base interactions energy: -1924.437
where: short stacking energy: -827.702
Base-Backbone interact. energy: -2.368
local terms energy: -840.363432
where:
bonds (distance) C4'-P energy: -149.400
bonds (distance) P-C4' energy: -151.359
flat angles C4'-P-C4' energy: -168.805
flat angles P-C4'-P energy: -116.003
tors. eta vs tors. theta energy: -254.795
Dist. restrs. and SS energy: 3.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2659.619654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.619654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.328043 (E_RNA)
where:
Base-Base interactions energy: -1859.380
where: short stacking energy: -798.655
Base-Backbone interact. energy: -2.318
local terms energy: -803.629944
where:
bonds (distance) C4'-P energy: -140.483
bonds (distance) P-C4' energy: -148.094
flat angles C4'-P-C4' energy: -169.308
flat angles P-C4'-P energy: -105.598
tors. eta vs tors. theta energy: -240.147
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: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2576.721093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.721093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.351163 (E_RNA)
where:
Base-Base interactions energy: -1789.361
where: short stacking energy: -751.979
Base-Backbone interact. energy: -3.096
local terms energy: -794.894317
where:
bonds (distance) C4'-P energy: -135.743
bonds (distance) P-C4' energy: -141.480
flat angles C4'-P-C4' energy: -173.852
flat angles P-C4'-P energy: -105.372
tors. eta vs tors. theta energy: -238.447
Dist. restrs. and SS energy: 10.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2445.180165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.180165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.564453 (E_RNA)
where:
Base-Base interactions energy: -1705.713
where: short stacking energy: -734.180
Base-Backbone interact. energy: 0.570
local terms energy: -746.421952
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -131.340
flat angles C4'-P-C4' energy: -155.884
flat angles P-C4'-P energy: -104.040
tors. eta vs tors. theta energy: -222.332
Dist. restrs. and SS energy: 6.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2449.473851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.473851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.403300 (E_RNA)
where:
Base-Base interactions energy: -1712.115
where: short stacking energy: -715.610
Base-Backbone interact. energy: -1.903
local terms energy: -742.385118
where:
bonds (distance) C4'-P energy: -138.848
bonds (distance) P-C4' energy: -127.917
flat angles C4'-P-C4' energy: -157.918
flat angles P-C4'-P energy: -100.307
tors. eta vs tors. theta energy: -217.396
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: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2284.099567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.099567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.586783 (E_RNA)
where:
Base-Base interactions energy: -1621.513
where: short stacking energy: -687.482
Base-Backbone interact. energy: -0.882
local terms energy: -676.191972
where:
bonds (distance) C4'-P energy: -128.762
bonds (distance) P-C4' energy: -119.958
flat angles C4'-P-C4' energy: -142.862
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -195.968
Dist. restrs. and SS energy: 14.487 (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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2173.830061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.830061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.989626 (E_RNA)
where:
Base-Base interactions energy: -1518.021
where: short stacking energy: -627.585
Base-Backbone interact. energy: -1.489
local terms energy: -666.479944
where:
bonds (distance) C4'-P energy: -128.497
bonds (distance) P-C4' energy: -114.564
flat angles C4'-P-C4' energy: -144.155
flat angles P-C4'-P energy: -86.970
tors. eta vs tors. theta energy: -192.293
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: 107
Temperature: 1.250000
Total energy: -2094.907484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.907484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.270474 (E_RNA)
where:
Base-Base interactions energy: -1489.146
where: short stacking energy: -652.096
Base-Backbone interact. energy: -3.019
local terms energy: -614.105170
where:
bonds (distance) C4'-P energy: -115.608
bonds (distance) P-C4' energy: -100.137
flat angles C4'-P-C4' energy: -140.802
flat angles P-C4'-P energy: -70.433
tors. eta vs tors. theta energy: -187.126
Dist. restrs. and SS energy: 11.363 (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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -2023.596609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.596609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.726813 (E_RNA)
where:
Base-Base interactions energy: -1457.449
where: short stacking energy: -565.339
Base-Backbone interact. energy: -2.449
local terms energy: -579.828848
where:
bonds (distance) C4'-P energy: -98.799
bonds (distance) P-C4' energy: -119.032
flat angles C4'-P-C4' energy: -130.175
flat angles P-C4'-P energy: -76.366
tors. eta vs tors. theta energy: -155.457
Dist. restrs. and SS energy: 16.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1898.440583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.440583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.696658 (E_RNA)
where:
Base-Base interactions energy: -1372.225
where: short stacking energy: -560.642
Base-Backbone interact. energy: 1.795
local terms energy: -553.266177
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -94.852
flat angles C4'-P-C4' energy: -129.498
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -160.519
Dist. restrs. and SS energy: 25.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2776.642180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.642180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.735577 (E_RNA)
where:
Base-Base interactions energy: -1938.854
where: short stacking energy: -849.036
Base-Backbone interact. energy: -3.495
local terms energy: -836.386245
where:
bonds (distance) C4'-P energy: -128.682
bonds (distance) P-C4' energy: -146.406
flat angles C4'-P-C4' energy: -182.622
flat angles P-C4'-P energy: -116.210
tors. eta vs tors. theta energy: -262.466
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2641.318931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.318931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.995921 (E_RNA)
where:
Base-Base interactions energy: -1865.356
where: short stacking energy: -778.635
Base-Backbone interact. energy: -2.594
local terms energy: -780.046288
where:
bonds (distance) C4'-P energy: -144.153
bonds (distance) P-C4' energy: -133.333
flat angles C4'-P-C4' energy: -172.967
flat angles P-C4'-P energy: -99.493
tors. eta vs tors. theta energy: -230.102
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2558.000001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.000001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.385204 (E_RNA)
where:
Base-Base interactions energy: -1782.611
where: short stacking energy: -759.877
Base-Backbone interact. energy: -5.544
local terms energy: -778.229971
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -135.210
flat angles C4'-P-C4' energy: -176.045
flat angles P-C4'-P energy: -112.131
tors. eta vs tors. theta energy: -228.508
Dist. restrs. and SS energy: 8.385 (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: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2437.506254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.506254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.554662 (E_RNA)
where:
Base-Base interactions energy: -1689.451
where: short stacking energy: -694.827
Base-Backbone interact. energy: -2.979
local terms energy: -754.124688
where:
bonds (distance) C4'-P energy: -149.440
bonds (distance) P-C4' energy: -144.466
flat angles C4'-P-C4' energy: -152.890
flat angles P-C4'-P energy: -102.699
tors. eta vs tors. theta energy: -204.630
Dist. restrs. and SS energy: 9.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2415.792410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.792410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.338697 (E_RNA)
where:
Base-Base interactions energy: -1698.685
where: short stacking energy: -720.514
Base-Backbone interact. energy: -3.256
local terms energy: -723.397979
where:
bonds (distance) C4'-P energy: -128.220
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -159.182
flat angles P-C4'-P energy: -99.804
tors. eta vs tors. theta energy: -209.214
Dist. restrs. and SS energy: 9.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2300.393509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.393509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.896887 (E_RNA)
where:
Base-Base interactions energy: -1625.484
where: short stacking energy: -668.839
Base-Backbone interact. energy: -2.155
local terms energy: -686.257674
where:
bonds (distance) C4'-P energy: -132.424
bonds (distance) P-C4' energy: -114.585
flat angles C4'-P-C4' energy: -143.141
flat angles P-C4'-P energy: -109.336
tors. eta vs tors. theta energy: -186.771
Dist. restrs. and SS energy: 13.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2221.282434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.282434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.425306 (E_RNA)
where:
Base-Base interactions energy: -1579.935
where: short stacking energy: -645.794
Base-Backbone interact. energy: -0.385
local terms energy: -655.105164
where:
bonds (distance) C4'-P energy: -111.422
bonds (distance) P-C4' energy: -136.550
flat angles C4'-P-C4' energy: -149.679
flat angles P-C4'-P energy: -78.614
tors. eta vs tors. theta energy: -178.841
Dist. restrs. and SS energy: 14.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2076.298504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.298504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.922179 (E_RNA)
where:
Base-Base interactions energy: -1482.242
where: short stacking energy: -617.042
Base-Backbone interact. energy: -2.498
local terms energy: -610.182053
where:
bonds (distance) C4'-P energy: -127.443
bonds (distance) P-C4' energy: -108.426
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -71.725
tors. eta vs tors. theta energy: -170.493
Dist. restrs. and SS energy: 18.624 (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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -2042.834923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.834923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.214767 (E_RNA)
where:
Base-Base interactions energy: -1430.809
where: short stacking energy: -583.561
Base-Backbone interact. energy: -4.087
local terms energy: -626.318651
where:
bonds (distance) C4'-P energy: -123.610
bonds (distance) P-C4' energy: -104.943
flat angles C4'-P-C4' energy: -139.816
flat angles P-C4'-P energy: -90.543
tors. eta vs tors. theta energy: -167.407
Dist. restrs. and SS energy: 18.380 (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: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1883.053091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.053091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.619816 (E_RNA)
where:
Base-Base interactions energy: -1312.502
where: short stacking energy: -563.691
Base-Backbone interact. energy: -3.197
local terms energy: -595.921137
where:
bonds (distance) C4'-P energy: -100.270
bonds (distance) P-C4' energy: -132.466
flat angles C4'-P-C4' energy: -127.197
flat angles P-C4'-P energy: -77.813
tors. eta vs tors. theta energy: -158.175
Dist. restrs. and SS energy: 28.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2754.173157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.173157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.447673 (E_RNA)
where:
Base-Base interactions energy: -1916.289
where: short stacking energy: -821.702
Base-Backbone interact. energy: -1.826
local terms energy: -841.332316
where:
bonds (distance) C4'-P energy: -147.123
bonds (distance) P-C4' energy: -149.900
flat angles C4'-P-C4' energy: -174.782
flat angles P-C4'-P energy: -123.028
tors. eta vs tors. theta energy: -246.499
Dist. restrs. and SS energy: 5.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2665.646199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.646199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.645133 (E_RNA)
where:
Base-Base interactions energy: -1834.948
where: short stacking energy: -781.223
Base-Backbone interact. energy: -5.961
local terms energy: -832.735829
where:
bonds (distance) C4'-P energy: -135.135
bonds (distance) P-C4' energy: -162.763
flat angles C4'-P-C4' energy: -178.576
flat angles P-C4'-P energy: -114.821
tors. eta vs tors. theta energy: -241.439
Dist. restrs. and SS energy: 7.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2597.697285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.697285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.274298 (E_RNA)
where:
Base-Base interactions energy: -1826.676
where: short stacking energy: -770.456
Base-Backbone interact. energy: -1.159
local terms energy: -777.439171
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -142.860
flat angles C4'-P-C4' energy: -160.296
flat angles P-C4'-P energy: -107.389
tors. eta vs tors. theta energy: -239.783
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: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2487.997421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.997421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.458998 (E_RNA)
where:
Base-Base interactions energy: -1737.435
where: short stacking energy: -748.921
Base-Backbone interact. energy: 0.646
local terms energy: -757.670378
where:
bonds (distance) C4'-P energy: -133.775
bonds (distance) P-C4' energy: -132.932
flat angles C4'-P-C4' energy: -163.973
flat angles P-C4'-P energy: -103.983
tors. eta vs tors. theta energy: -223.008
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: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2389.558601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.558601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.440231 (E_RNA)
where:
Base-Base interactions energy: -1677.406
where: short stacking energy: -707.727
Base-Backbone interact. energy: -1.370
local terms energy: -722.664332
where:
bonds (distance) C4'-P energy: -120.227
bonds (distance) P-C4' energy: -135.314
flat angles C4'-P-C4' energy: -153.483
flat angles P-C4'-P energy: -97.379
tors. eta vs tors. theta energy: -216.261
Dist. restrs. and SS energy: 11.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2324.627264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.627264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.948578 (E_RNA)
where:
Base-Base interactions energy: -1662.204
where: short stacking energy: -702.033
Base-Backbone interact. energy: 0.191
local terms energy: -677.936162
where:
bonds (distance) C4'-P energy: -140.475
bonds (distance) P-C4' energy: -118.209
flat angles C4'-P-C4' energy: -143.072
flat angles P-C4'-P energy: -81.872
tors. eta vs tors. theta energy: -194.309
Dist. restrs. and SS energy: 15.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2212.257505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.257505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.040406 (E_RNA)
where:
Base-Base interactions energy: -1535.280
where: short stacking energy: -635.059
Base-Backbone interact. energy: -3.455
local terms energy: -689.305160
where:
bonds (distance) C4'-P energy: -133.038
bonds (distance) P-C4' energy: -112.380
flat angles C4'-P-C4' energy: -151.929
flat angles P-C4'-P energy: -108.455
tors. eta vs tors. theta energy: -183.502
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: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2075.520711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.520711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.850759 (E_RNA)
where:
Base-Base interactions energy: -1447.488
where: short stacking energy: -594.646
Base-Backbone interact. energy: -1.632
local terms energy: -641.730639
where:
bonds (distance) C4'-P energy: -117.524
bonds (distance) P-C4' energy: -135.659
flat angles C4'-P-C4' energy: -134.233
flat angles P-C4'-P energy: -81.520
tors. eta vs tors. theta energy: -172.795
Dist. restrs. and SS energy: 15.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -2014.367273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.367273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.350039 (E_RNA)
where:
Base-Base interactions energy: -1453.401
where: short stacking energy: -567.968
Base-Backbone interact. energy: -3.023
local terms energy: -569.926231
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -95.381
flat angles C4'-P-C4' energy: -123.073
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: -168.003
Dist. restrs. and SS energy: 11.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1859.941795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.941795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.272553 (E_RNA)
where:
Base-Base interactions energy: -1307.969
where: short stacking energy: -544.985
Base-Backbone interact. energy: 3.232
local terms energy: -584.535540
where:
bonds (distance) C4'-P energy: -113.765
bonds (distance) P-C4' energy: -119.630
flat angles C4'-P-C4' energy: -128.753
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -156.412
Dist. restrs. and SS energy: 29.331 (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: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2737.449526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.449526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.717567 (E_RNA)
where:
Base-Base interactions energy: -1914.876
where: short stacking energy: -847.125
Base-Backbone interact. energy: 0.149
local terms energy: -826.990761
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -134.591
flat angles C4'-P-C4' energy: -172.658
flat angles P-C4'-P energy: -128.807
tors. eta vs tors. theta energy: -253.045
Dist. restrs. and SS energy: 4.268 (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: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2644.454496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.454496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.136110 (E_RNA)
where:
Base-Base interactions energy: -1838.947
where: short stacking energy: -790.008
Base-Backbone interact. energy: -3.733
local terms energy: -808.456933
where:
bonds (distance) C4'-P energy: -145.413
bonds (distance) P-C4' energy: -144.418
flat angles C4'-P-C4' energy: -161.880
flat angles P-C4'-P energy: -120.579
tors. eta vs tors. theta energy: -236.167
Dist. restrs. and SS energy: 6.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2590.795390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.795390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.547611 (E_RNA)
where:
Base-Base interactions energy: -1844.403
where: short stacking energy: -815.248
Base-Backbone interact. energy: -4.482
local terms energy: -748.662590
where:
bonds (distance) C4'-P energy: -118.936
bonds (distance) P-C4' energy: -117.827
flat angles C4'-P-C4' energy: -169.100
flat angles P-C4'-P energy: -101.396
tors. eta vs tors. theta energy: -241.404
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: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2477.375940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.375940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.520003 (E_RNA)
where:
Base-Base interactions energy: -1729.730
where: short stacking energy: -731.854
Base-Backbone interact. energy: -0.237
local terms energy: -753.553170
where:
bonds (distance) C4'-P energy: -132.334
bonds (distance) P-C4' energy: -128.144
flat angles C4'-P-C4' energy: -171.122
flat angles P-C4'-P energy: -102.646
tors. eta vs tors. theta energy: -219.307
Dist. restrs. and SS energy: 6.144 (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: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2428.358763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.358763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.518922 (E_RNA)
where:
Base-Base interactions energy: -1717.728
where: short stacking energy: -716.960
Base-Backbone interact. energy: -1.243
local terms energy: -717.547068
where:
bonds (distance) C4'-P energy: -129.699
bonds (distance) P-C4' energy: -132.856
flat angles C4'-P-C4' energy: -149.831
flat angles P-C4'-P energy: -87.930
tors. eta vs tors. theta energy: -217.231
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: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2332.981635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.981635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.631391 (E_RNA)
where:
Base-Base interactions energy: -1635.276
where: short stacking energy: -693.244
Base-Backbone interact. energy: -2.825
local terms energy: -713.529607
where:
bonds (distance) C4'-P energy: -119.127
bonds (distance) P-C4' energy: -130.493
flat angles C4'-P-C4' energy: -150.865
flat angles P-C4'-P energy: -99.833
tors. eta vs tors. theta energy: -213.212
Dist. restrs. and SS energy: 18.650 (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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2201.223818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.223818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.332299 (E_RNA)
where:
Base-Base interactions energy: -1558.375
where: short stacking energy: -644.179
Base-Backbone interact. energy: -1.384
local terms energy: -657.573076
where:
bonds (distance) C4'-P energy: -112.879
bonds (distance) P-C4' energy: -126.530
flat angles C4'-P-C4' energy: -131.635
flat angles P-C4'-P energy: -108.459
tors. eta vs tors. theta energy: -178.070
Dist. restrs. and SS energy: 16.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2101.972359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.972359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.145594 (E_RNA)
where:
Base-Base interactions energy: -1510.689
where: short stacking energy: -658.743
Base-Backbone interact. energy: -0.027
local terms energy: -610.429683
where:
bonds (distance) C4'-P energy: -89.573
bonds (distance) P-C4' energy: -108.072
flat angles C4'-P-C4' energy: -140.973
flat angles P-C4'-P energy: -79.278
tors. eta vs tors. theta energy: -192.532
Dist. restrs. and SS energy: 19.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -2049.041240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.041240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.577010 (E_RNA)
where:
Base-Base interactions energy: -1438.734
where: short stacking energy: -596.648
Base-Backbone interact. energy: 3.508
local terms energy: -629.351270
where:
bonds (distance) C4'-P energy: -116.288
bonds (distance) P-C4' energy: -118.563
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -169.419
Dist. restrs. and SS energy: 15.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1885.325297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.325297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.894325 (E_RNA)
where:
Base-Base interactions energy: -1313.331
where: short stacking energy: -544.262
Base-Backbone interact. energy: 0.049
local terms energy: -597.611683
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -110.094
flat angles C4'-P-C4' energy: -131.487
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -157.183
Dist. restrs. and SS energy: 25.569 (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: 111
Temperature: 0.900000
Total energy: -2747.914478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.914478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.157093 (E_RNA)
where:
Base-Base interactions energy: -1932.209
where: short stacking energy: -817.173
Base-Backbone interact. energy: 0.313
local terms energy: -817.261445
where:
bonds (distance) C4'-P energy: -144.188
bonds (distance) P-C4' energy: -132.613
flat angles C4'-P-C4' energy: -168.320
flat angles P-C4'-P energy: -125.033
tors. eta vs tors. theta energy: -247.109
Dist. restrs. and SS energy: 1.243 (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: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2680.300116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.300116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.339105 (E_RNA)
where:
Base-Base interactions energy: -1886.538
where: short stacking energy: -802.040
Base-Backbone interact. energy: -3.647
local terms energy: -796.154568
where:
bonds (distance) C4'-P energy: -153.118
bonds (distance) P-C4' energy: -146.372
flat angles C4'-P-C4' energy: -160.675
flat angles P-C4'-P energy: -108.146
tors. eta vs tors. theta energy: -227.844
Dist. restrs. and SS energy: 6.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2573.859748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.859748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.770161 (E_RNA)
where:
Base-Base interactions energy: -1824.756
where: short stacking energy: -758.073
Base-Backbone interact. energy: 2.455
local terms energy: -756.468607
where:
bonds (distance) C4'-P energy: -133.870
bonds (distance) P-C4' energy: -138.830
flat angles C4'-P-C4' energy: -151.268
flat angles P-C4'-P energy: -102.158
tors. eta vs tors. theta energy: -230.342
Dist. restrs. and SS energy: 4.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2492.406828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.406828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.464681 (E_RNA)
where:
Base-Base interactions energy: -1751.630
where: short stacking energy: -746.449
Base-Backbone interact. energy: 0.614
local terms energy: -747.448665
where:
bonds (distance) C4'-P energy: -131.834
bonds (distance) P-C4' energy: -127.710
flat angles C4'-P-C4' energy: -162.450
flat angles P-C4'-P energy: -103.027
tors. eta vs tors. theta energy: -222.428
Dist. restrs. and SS energy: 6.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2426.387873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.387873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.037128 (E_RNA)
where:
Base-Base interactions energy: -1701.927
where: short stacking energy: -721.813
Base-Backbone interact. energy: -2.966
local terms energy: -729.143863
where:
bonds (distance) C4'-P energy: -130.530
bonds (distance) P-C4' energy: -134.507
flat angles C4'-P-C4' energy: -155.630
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -217.414
Dist. restrs. and SS energy: 7.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2292.950958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.950958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.642390 (E_RNA)
where:
Base-Base interactions energy: -1603.825
where: short stacking energy: -682.787
Base-Backbone interact. energy: 1.276
local terms energy: -702.094094
where:
bonds (distance) C4'-P energy: -122.312
bonds (distance) P-C4' energy: -132.995
flat angles C4'-P-C4' energy: -152.332
flat angles P-C4'-P energy: -91.612
tors. eta vs tors. theta energy: -202.843
Dist. restrs. and SS energy: 11.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2201.166418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.166418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.575243 (E_RNA)
where:
Base-Base interactions energy: -1578.779
where: short stacking energy: -670.741
Base-Backbone interact. energy: -1.117
local terms energy: -631.678993
where:
bonds (distance) C4'-P energy: -107.059
bonds (distance) P-C4' energy: -107.848
flat angles C4'-P-C4' energy: -146.247
flat angles P-C4'-P energy: -93.475
tors. eta vs tors. theta energy: -177.050
Dist. restrs. and SS energy: 10.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2129.817444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.817444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.302640 (E_RNA)
where:
Base-Base interactions energy: -1502.499
where: short stacking energy: -610.135
Base-Backbone interact. energy: -0.937
local terms energy: -635.866859
where:
bonds (distance) C4'-P energy: -128.133
bonds (distance) P-C4' energy: -106.993
flat angles C4'-P-C4' energy: -137.432
flat angles P-C4'-P energy: -88.584
tors. eta vs tors. theta energy: -174.725
Dist. restrs. and SS energy: 9.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -2024.517021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.517021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.104990 (E_RNA)
where:
Base-Base interactions energy: -1438.733
where: short stacking energy: -613.201
Base-Backbone interact. energy: -1.427
local terms energy: -599.945036
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -127.321
flat angles C4'-P-C4' energy: -128.113
flat angles P-C4'-P energy: -90.039
tors. eta vs tors. theta energy: -171.099
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: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1870.446546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.446546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.801692 (E_RNA)
where:
Base-Base interactions energy: -1300.616
where: short stacking energy: -551.834
Base-Backbone interact. energy: 2.751
local terms energy: -603.936587
where:
bonds (distance) C4'-P energy: -117.319
bonds (distance) P-C4' energy: -129.748
flat angles C4'-P-C4' energy: -116.710
flat angles P-C4'-P energy: -86.676
tors. eta vs tors. theta energy: -153.484
Dist. restrs. and SS energy: 31.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2766.799398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.799398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.161389 (E_RNA)
where:
Base-Base interactions energy: -1932.318
where: short stacking energy: -820.364
Base-Backbone interact. energy: 5.144
local terms energy: -842.987410
where:
bonds (distance) C4'-P energy: -149.149
bonds (distance) P-C4' energy: -143.117
flat angles C4'-P-C4' energy: -174.289
flat angles P-C4'-P energy: -128.958
tors. eta vs tors. theta energy: -247.474
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2663.485983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.485983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.332044 (E_RNA)
where:
Base-Base interactions energy: -1845.703
where: short stacking energy: -787.470
Base-Backbone interact. energy: -5.283
local terms energy: -820.346341
where:
bonds (distance) C4'-P energy: -148.478
bonds (distance) P-C4' energy: -150.058
flat angles C4'-P-C4' energy: -166.141
flat angles P-C4'-P energy: -118.489
tors. eta vs tors. theta energy: -237.180
Dist. restrs. and SS energy: 7.846 (S_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: 112
Temperature: 1.000000
Total energy: -2584.486551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.486551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.789336 (E_RNA)
where:
Base-Base interactions energy: -1817.779
where: short stacking energy: -766.562
Base-Backbone interact. energy: -2.898
local terms energy: -771.111783
where:
bonds (distance) C4'-P energy: -124.727
bonds (distance) P-C4' energy: -143.477
flat angles C4'-P-C4' energy: -160.378
flat angles P-C4'-P energy: -109.785
tors. eta vs tors. theta energy: -232.744
Dist. restrs. and SS energy: 7.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2463.420520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.420520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.135838 (E_RNA)
where:
Base-Base interactions energy: -1749.652
where: short stacking energy: -736.844
Base-Backbone interact. energy: -1.778
local terms energy: -720.705792
where:
bonds (distance) C4'-P energy: -149.677
bonds (distance) P-C4' energy: -113.565
flat angles C4'-P-C4' energy: -144.151
flat angles P-C4'-P energy: -97.625
tors. eta vs tors. theta energy: -215.688
Dist. restrs. and SS energy: 8.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2413.092987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.092987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.357840 (E_RNA)
where:
Base-Base interactions energy: -1698.738
where: short stacking energy: -737.627
Base-Backbone interact. energy: 1.450
local terms energy: -725.069810
where:
bonds (distance) C4'-P energy: -124.570
bonds (distance) P-C4' energy: -144.674
flat angles C4'-P-C4' energy: -164.234
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -208.642
Dist. restrs. and SS energy: 9.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2266.895063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.895063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.768923 (E_RNA)
where:
Base-Base interactions energy: -1574.143
where: short stacking energy: -674.641
Base-Backbone interact. energy: -2.001
local terms energy: -704.625097
where:
bonds (distance) C4'-P energy: -114.021
bonds (distance) P-C4' energy: -135.708
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -101.082
tors. eta vs tors. theta energy: -203.707
Dist. restrs. and SS energy: 13.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2185.822195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.822195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.211058 (E_RNA)
where:
Base-Base interactions energy: -1537.637
where: short stacking energy: -658.965
Base-Backbone interact. energy: -3.017
local terms energy: -666.556585
where:
bonds (distance) C4'-P energy: -117.524
bonds (distance) P-C4' energy: -133.909
flat angles C4'-P-C4' energy: -134.256
flat angles P-C4'-P energy: -107.215
tors. eta vs tors. theta energy: -173.652
Dist. restrs. and SS energy: 21.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2156.726030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.726030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.066314 (E_RNA)
where:
Base-Base interactions energy: -1532.085
where: short stacking energy: -659.490
Base-Backbone interact. energy: 0.105
local terms energy: -637.087030
where:
bonds (distance) C4'-P energy: -92.392
bonds (distance) P-C4' energy: -120.340
flat angles C4'-P-C4' energy: -151.611
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -193.236
Dist. restrs. and SS energy: 12.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -2008.272639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.272639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.235859 (E_RNA)
where:
Base-Base interactions energy: -1409.332
where: short stacking energy: -568.917
Base-Backbone interact. energy: -0.516
local terms energy: -614.387896
where:
bonds (distance) C4'-P energy: -115.106
bonds (distance) P-C4' energy: -126.721
flat angles C4'-P-C4' energy: -135.381
flat angles P-C4'-P energy: -83.531
tors. eta vs tors. theta energy: -153.649
Dist. restrs. and SS energy: 15.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1907.008554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.008554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.785383 (E_RNA)
where:
Base-Base interactions energy: -1330.803
where: short stacking energy: -529.497
Base-Backbone interact. energy: -2.196
local terms energy: -593.786733
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -125.047
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -83.136
tors. eta vs tors. theta energy: -152.302
Dist. restrs. and SS energy: 19.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2754.681523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.681523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.611220 (E_RNA)
where:
Base-Base interactions energy: -1940.224
where: short stacking energy: -813.515
Base-Backbone interact. energy: 7.638
local terms energy: -826.025031
where:
bonds (distance) C4'-P energy: -159.466
bonds (distance) P-C4' energy: -145.530
flat angles C4'-P-C4' energy: -173.209
flat angles P-C4'-P energy: -107.861
tors. eta vs tors. theta energy: -239.958
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2661.139960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.139960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.885901 (E_RNA)
where:
Base-Base interactions energy: -1877.658
where: short stacking energy: -785.740
Base-Backbone interact. energy: -2.927
local terms energy: -785.300044
where:
bonds (distance) C4'-P energy: -141.281
bonds (distance) P-C4' energy: -139.341
flat angles C4'-P-C4' energy: -151.338
flat angles P-C4'-P energy: -123.285
tors. eta vs tors. theta energy: -230.055
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: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2590.737074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.737074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.830846 (E_RNA)
where:
Base-Base interactions energy: -1835.512
where: short stacking energy: -758.419
Base-Backbone interact. energy: -0.374
local terms energy: -760.944102
where:
bonds (distance) C4'-P energy: -131.599
bonds (distance) P-C4' energy: -139.609
flat angles C4'-P-C4' energy: -151.943
flat angles P-C4'-P energy: -111.286
tors. eta vs tors. theta energy: -226.507
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: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2466.463422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.463422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.669558 (E_RNA)
where:
Base-Base interactions energy: -1732.832
where: short stacking energy: -746.081
Base-Backbone interact. energy: -1.417
local terms energy: -738.420536
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -141.022
flat angles C4'-P-C4' energy: -169.534
flat angles P-C4'-P energy: -85.813
tors. eta vs tors. theta energy: -212.118
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2422.799277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.799277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.996948 (E_RNA)
where:
Base-Base interactions energy: -1700.589
where: short stacking energy: -724.623
Base-Backbone interact. energy: 1.184
local terms energy: -736.592343
where:
bonds (distance) C4'-P energy: -114.736
bonds (distance) P-C4' energy: -131.300
flat angles C4'-P-C4' energy: -167.371
flat angles P-C4'-P energy: -102.571
tors. eta vs tors. theta energy: -220.615
Dist. restrs. and SS energy: 13.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2293.030810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.030810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.970610 (E_RNA)
where:
Base-Base interactions energy: -1603.413
where: short stacking energy: -684.307
Base-Backbone interact. energy: -0.592
local terms energy: -698.965587
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -125.251
flat angles C4'-P-C4' energy: -158.850
flat angles P-C4'-P energy: -92.151
tors. eta vs tors. theta energy: -202.764
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: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2206.307526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.307526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.717095 (E_RNA)
where:
Base-Base interactions energy: -1546.043
where: short stacking energy: -660.840
Base-Backbone interact. energy: -2.304
local terms energy: -673.370060
where:
bonds (distance) C4'-P energy: -136.174
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -145.956
flat angles P-C4'-P energy: -80.575
tors. eta vs tors. theta energy: -196.954
Dist. restrs. and SS energy: 15.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2085.979553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.979553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.803614 (E_RNA)
where:
Base-Base interactions energy: -1476.561
where: short stacking energy: -593.434
Base-Backbone interact. energy: -0.841
local terms energy: -621.402533
where:
bonds (distance) C4'-P energy: -128.271
bonds (distance) P-C4' energy: -106.244
flat angles C4'-P-C4' energy: -144.235
flat angles P-C4'-P energy: -73.416
tors. eta vs tors. theta energy: -169.236
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -2077.457606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.457606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.347353 (E_RNA)
where:
Base-Base interactions energy: -1450.448
where: short stacking energy: -591.166
Base-Backbone interact. energy: -0.383
local terms energy: -639.516372
where:
bonds (distance) C4'-P energy: -113.131
bonds (distance) P-C4' energy: -125.222
flat angles C4'-P-C4' energy: -153.830
flat angles P-C4'-P energy: -89.770
tors. eta vs tors. theta energy: -157.563
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: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1938.144357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.144357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.597896 (E_RNA)
where:
Base-Base interactions energy: -1362.726
where: short stacking energy: -582.920
Base-Backbone interact. energy: -3.576
local terms energy: -597.295801
where:
bonds (distance) C4'-P energy: -122.507
bonds (distance) P-C4' energy: -98.764
flat angles C4'-P-C4' energy: -127.027
flat angles P-C4'-P energy: -82.199
tors. eta vs tors. theta energy: -166.799
Dist. restrs. and SS energy: 25.454 (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: 114
Temperature: 0.900000
Total energy: -2757.601063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.601063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.727126 (E_RNA)
where:
Base-Base interactions energy: -1920.018
where: short stacking energy: -825.817
Base-Backbone interact. energy: -4.730
local terms energy: -835.979733
where:
bonds (distance) C4'-P energy: -144.391
bonds (distance) P-C4' energy: -151.902
flat angles C4'-P-C4' energy: -172.921
flat angles P-C4'-P energy: -112.754
tors. eta vs tors. theta energy: -254.011
Dist. restrs. and SS energy: 3.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2644.366383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.366383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.991114 (E_RNA)
where:
Base-Base interactions energy: -1835.846
where: short stacking energy: -779.379
Base-Backbone interact. energy: -3.340
local terms energy: -812.805306
where:
bonds (distance) C4'-P energy: -144.495
bonds (distance) P-C4' energy: -144.381
flat angles C4'-P-C4' energy: -166.139
flat angles P-C4'-P energy: -115.786
tors. eta vs tors. theta energy: -242.003
Dist. restrs. and SS energy: 7.625 (S_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: 114
Temperature: 1.000000
Total energy: -2606.392457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.392457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.861872 (E_RNA)
where:
Base-Base interactions energy: -1822.818
where: short stacking energy: -784.609
Base-Backbone interact. energy: -0.209
local terms energy: -788.834430
where:
bonds (distance) C4'-P energy: -134.387
bonds (distance) P-C4' energy: -140.572
flat angles C4'-P-C4' energy: -163.027
flat angles P-C4'-P energy: -112.923
tors. eta vs tors. theta energy: -237.925
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: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2460.940929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.940929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.269952 (E_RNA)
where:
Base-Base interactions energy: -1740.552
where: short stacking energy: -740.500
Base-Backbone interact. energy: -0.311
local terms energy: -731.406917
where:
bonds (distance) C4'-P energy: -128.345
bonds (distance) P-C4' energy: -136.641
flat angles C4'-P-C4' energy: -161.311
flat angles P-C4'-P energy: -88.249
tors. eta vs tors. theta energy: -216.861
Dist. restrs. and SS energy: 11.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2448.730413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.730413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.791838 (E_RNA)
where:
Base-Base interactions energy: -1737.506
where: short stacking energy: -734.389
Base-Backbone interact. energy: -6.280
local terms energy: -719.005814
where:
bonds (distance) C4'-P energy: -106.717
bonds (distance) P-C4' energy: -132.705
flat angles C4'-P-C4' energy: -163.235
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -225.194
Dist. restrs. and SS energy: 14.061 (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: 114
Temperature: 1.150000
Total energy: -2305.547695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.547695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.973983 (E_RNA)
where:
Base-Base interactions energy: -1612.395
where: short stacking energy: -704.921
Base-Backbone interact. energy: -2.924
local terms energy: -703.654598
where:
bonds (distance) C4'-P energy: -137.649
bonds (distance) P-C4' energy: -114.904
flat angles C4'-P-C4' energy: -150.940
flat angles P-C4'-P energy: -91.416
tors. eta vs tors. theta energy: -208.745
Dist. restrs. and SS energy: 13.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2230.652788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.652788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.618488 (E_RNA)
where:
Base-Base interactions energy: -1552.832
where: short stacking energy: -664.766
Base-Backbone interact. energy: 1.149
local terms energy: -693.936270
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -124.915
flat angles C4'-P-C4' energy: -162.376
flat angles P-C4'-P energy: -98.478
tors. eta vs tors. theta energy: -195.835
Dist. restrs. and SS energy: 14.966 (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: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2055.400323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.400323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.171449 (E_RNA)
where:
Base-Base interactions energy: -1437.758
where: short stacking energy: -595.916
Base-Backbone interact. energy: 0.974
local terms energy: -632.386963
where:
bonds (distance) C4'-P energy: -121.838
bonds (distance) P-C4' energy: -115.564
flat angles C4'-P-C4' energy: -136.510
flat angles P-C4'-P energy: -86.383
tors. eta vs tors. theta energy: -172.092
Dist. restrs. and SS energy: 13.771 (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: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1948.365680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.365680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.397294 (E_RNA)
where:
Base-Base interactions energy: -1384.835
where: short stacking energy: -594.688
Base-Backbone interact. energy: -0.855
local terms energy: -594.707323
where:
bonds (distance) C4'-P energy: -112.771
bonds (distance) P-C4' energy: -116.568
flat angles C4'-P-C4' energy: -145.285
flat angles P-C4'-P energy: -64.706
tors. eta vs tors. theta energy: -155.377
Dist. restrs. and SS energy: 32.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1928.354035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.354035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.799545 (E_RNA)
where:
Base-Base interactions energy: -1343.593
where: short stacking energy: -545.257
Base-Backbone interact. energy: -0.224
local terms energy: -599.982481
where:
bonds (distance) C4'-P energy: -110.267
bonds (distance) P-C4' energy: -114.634
flat angles C4'-P-C4' energy: -141.808
flat angles P-C4'-P energy: -76.686
tors. eta vs tors. theta energy: -156.587
Dist. restrs. and SS energy: 15.446 (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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2798.991963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.991963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.586128 (E_RNA)
where:
Base-Base interactions energy: -1981.328
where: short stacking energy: -837.450
Base-Backbone interact. energy: -3.160
local terms energy: -817.098684
where:
bonds (distance) C4'-P energy: -141.221
bonds (distance) P-C4' energy: -145.347
flat angles C4'-P-C4' energy: -168.025
flat angles P-C4'-P energy: -112.355
tors. eta vs tors. theta energy: -250.150
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2652.546082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.546082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.049185 (E_RNA)
where:
Base-Base interactions energy: -1854.472
where: short stacking energy: -779.290
Base-Backbone interact. energy: -3.768
local terms energy: -799.809103
where:
bonds (distance) C4'-P energy: -144.964
bonds (distance) P-C4' energy: -140.610
flat angles C4'-P-C4' energy: -171.682
flat angles P-C4'-P energy: -110.141
tors. eta vs tors. theta energy: -232.412
Dist. restrs. and SS energy: 5.503 (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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2581.561610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.561610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.004241 (E_RNA)
where:
Base-Base interactions energy: -1805.314
where: short stacking energy: -767.268
Base-Backbone interact. energy: -1.539
local terms energy: -785.151170
where:
bonds (distance) C4'-P energy: -145.749
bonds (distance) P-C4' energy: -129.379
flat angles C4'-P-C4' energy: -168.987
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -233.904
Dist. restrs. and SS energy: 10.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2498.640095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.640095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.102636 (E_RNA)
where:
Base-Base interactions energy: -1770.580
where: short stacking energy: -757.908
Base-Backbone interact. energy: -3.811
local terms energy: -736.711734
where:
bonds (distance) C4'-P energy: -135.275
bonds (distance) P-C4' energy: -125.580
flat angles C4'-P-C4' energy: -155.780
flat angles P-C4'-P energy: -98.111
tors. eta vs tors. theta energy: -221.966
Dist. restrs. and SS energy: 12.463 (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: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2413.142920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.142920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.304300 (E_RNA)
where:
Base-Base interactions energy: -1689.098
where: short stacking energy: -717.024
Base-Backbone interact. energy: -2.603
local terms energy: -727.603566
where:
bonds (distance) C4'-P energy: -134.276
bonds (distance) P-C4' energy: -135.057
flat angles C4'-P-C4' energy: -161.055
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -198.891
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2308.610736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.610736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.353688 (E_RNA)
where:
Base-Base interactions energy: -1658.639
where: short stacking energy: -684.390
Base-Backbone interact. energy: 3.148
local terms energy: -664.863122
where:
bonds (distance) C4'-P energy: -107.016
bonds (distance) P-C4' energy: -125.230
flat angles C4'-P-C4' energy: -141.576
flat angles P-C4'-P energy: -87.412
tors. eta vs tors. theta energy: -203.629
Dist. restrs. and SS energy: 11.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2236.431361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.431361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.741122 (E_RNA)
where:
Base-Base interactions energy: -1580.819
where: short stacking energy: -656.257
Base-Backbone interact. energy: -2.719
local terms energy: -662.203055
where:
bonds (distance) C4'-P energy: -104.036
bonds (distance) P-C4' energy: -132.670
flat angles C4'-P-C4' energy: -152.569
flat angles P-C4'-P energy: -82.820
tors. eta vs tors. theta energy: -190.108
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2054.171554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.171554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.610646 (E_RNA)
where:
Base-Base interactions energy: -1413.484
where: short stacking energy: -576.669
Base-Backbone interact. energy: -2.686
local terms energy: -650.440579
where:
bonds (distance) C4'-P energy: -117.570
bonds (distance) P-C4' energy: -140.501
flat angles C4'-P-C4' energy: -150.967
flat angles P-C4'-P energy: -86.003
tors. eta vs tors. theta energy: -155.399
Dist. restrs. and SS energy: 12.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1959.681754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.681754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.609524 (E_RNA)
where:
Base-Base interactions energy: -1393.804
where: short stacking energy: -590.523
Base-Backbone interact. energy: -0.512
local terms energy: -590.293809
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -109.569
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -80.694
tors. eta vs tors. theta energy: -157.635
Dist. restrs. and SS energy: 24.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1946.426460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.426460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.756955 (E_RNA)
where:
Base-Base interactions energy: -1392.125
where: short stacking energy: -576.942
Base-Backbone interact. energy: 5.790
local terms energy: -578.421530
where:
bonds (distance) C4'-P energy: -100.052
bonds (distance) P-C4' energy: -116.810
flat angles C4'-P-C4' energy: -127.975
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -173.111
Dist. restrs. and SS energy: 18.330 (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: 116
Temperature: 0.900000
Total energy: -2795.484872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.484872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.199126 (E_RNA)
where:
Base-Base interactions energy: -1960.787
where: short stacking energy: -820.278
Base-Backbone interact. energy: -2.212
local terms energy: -836.200125
where:
bonds (distance) C4'-P energy: -155.789
bonds (distance) P-C4' energy: -153.925
flat angles C4'-P-C4' energy: -167.275
flat angles P-C4'-P energy: -114.195
tors. eta vs tors. theta energy: -245.016
Dist. restrs. and SS energy: 3.714 (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: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2633.500228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.500228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.094997 (E_RNA)
where:
Base-Base interactions energy: -1817.809
where: short stacking energy: -781.859
Base-Backbone interact. energy: -3.177
local terms energy: -820.108868
where:
bonds (distance) C4'-P energy: -144.425
bonds (distance) P-C4' energy: -143.172
flat angles C4'-P-C4' energy: -176.302
flat angles P-C4'-P energy: -119.810
tors. eta vs tors. theta energy: -236.401
Dist. restrs. and SS energy: 7.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2580.685943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.685943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.003480 (E_RNA)
where:
Base-Base interactions energy: -1813.647
where: short stacking energy: -766.520
Base-Backbone interact. energy: -0.777
local terms energy: -775.578978
where:
bonds (distance) C4'-P energy: -120.364
bonds (distance) P-C4' energy: -142.595
flat angles C4'-P-C4' energy: -163.457
flat angles P-C4'-P energy: -113.149
tors. eta vs tors. theta energy: -236.014
Dist. restrs. and SS energy: 9.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2508.458889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.458889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.006915 (E_RNA)
where:
Base-Base interactions energy: -1754.716
where: short stacking energy: -739.384
Base-Backbone interact. energy: -3.863
local terms energy: -758.427460
where:
bonds (distance) C4'-P energy: -117.109
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -169.889
flat angles P-C4'-P energy: -105.454
tors. eta vs tors. theta energy: -231.338
Dist. restrs. and SS energy: 8.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2432.228273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.228273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.936550 (E_RNA)
where:
Base-Base interactions energy: -1712.924
where: short stacking energy: -715.225
Base-Backbone interact. energy: -3.370
local terms energy: -724.642066
where:
bonds (distance) C4'-P energy: -130.919
bonds (distance) P-C4' energy: -114.593
flat angles C4'-P-C4' energy: -162.411
flat angles P-C4'-P energy: -108.924
tors. eta vs tors. theta energy: -207.795
Dist. restrs. and SS energy: 8.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2277.921142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.921142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.178207 (E_RNA)
where:
Base-Base interactions energy: -1615.095
where: short stacking energy: -666.152
Base-Backbone interact. energy: -1.296
local terms energy: -672.787285
where:
bonds (distance) C4'-P energy: -124.148
bonds (distance) P-C4' energy: -128.627
flat angles C4'-P-C4' energy: -148.403
flat angles P-C4'-P energy: -88.779
tors. eta vs tors. theta energy: -182.830
Dist. restrs. and SS energy: 11.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2257.951173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.951173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.797511 (E_RNA)
where:
Base-Base interactions energy: -1596.599
where: short stacking energy: -654.417
Base-Backbone interact. energy: -2.900
local terms energy: -669.298460
where:
bonds (distance) C4'-P energy: -111.132
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -143.521
flat angles P-C4'-P energy: -95.221
tors. eta vs tors. theta energy: -196.289
Dist. restrs. and SS energy: 10.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2026.626105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.626105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.430240 (E_RNA)
where:
Base-Base interactions energy: -1405.929
where: short stacking energy: -574.567
Base-Backbone interact. energy: -0.808
local terms energy: -632.692583
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -128.739
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -96.796
tors. eta vs tors. theta energy: -158.437
Dist. restrs. and SS energy: 12.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1893.536624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.536624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.885943 (E_RNA)
where:
Base-Base interactions energy: -1289.281
where: short stacking energy: -540.616
Base-Backbone interact. energy: -1.153
local terms energy: -624.452358
where:
bonds (distance) C4'-P energy: -114.276
bonds (distance) P-C4' energy: -121.627
flat angles C4'-P-C4' energy: -141.030
flat angles P-C4'-P energy: -90.194
tors. eta vs tors. theta energy: -157.326
Dist. restrs. and SS energy: 21.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1942.373807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.373807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.967844 (E_RNA)
where:
Base-Base interactions energy: -1362.101
where: short stacking energy: -559.218
Base-Backbone interact. energy: -2.914
local terms energy: -601.952393
where:
bonds (distance) C4'-P energy: -95.435
bonds (distance) P-C4' energy: -112.383
flat angles C4'-P-C4' energy: -143.711
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -171.740
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: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2779.743060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.743060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.407668 (E_RNA)
where:
Base-Base interactions energy: -1934.547
where: short stacking energy: -813.575
Base-Backbone interact. energy: -1.730
local terms energy: -846.130654
where:
bonds (distance) C4'-P energy: -139.316
bonds (distance) P-C4' energy: -149.359
flat angles C4'-P-C4' energy: -183.706
flat angles P-C4'-P energy: -121.806
tors. eta vs tors. theta energy: -251.943
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2641.928325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.928325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.345988 (E_RNA)
where:
Base-Base interactions energy: -1856.736
where: short stacking energy: -783.771
Base-Backbone interact. energy: -2.181
local terms energy: -789.429025
where:
bonds (distance) C4'-P energy: -129.906
bonds (distance) P-C4' energy: -149.019
flat angles C4'-P-C4' energy: -167.452
flat angles P-C4'-P energy: -110.535
tors. eta vs tors. theta energy: -232.517
Dist. restrs. and SS energy: 6.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2588.439881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.439881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.733315 (E_RNA)
where:
Base-Base interactions energy: -1825.130
where: short stacking energy: -774.617
Base-Backbone interact. energy: -3.639
local terms energy: -767.964153
where:
bonds (distance) C4'-P energy: -138.479
bonds (distance) P-C4' energy: -127.888
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -120.662
tors. eta vs tors. theta energy: -228.267
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2511.454567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.454567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.797988 (E_RNA)
where:
Base-Base interactions energy: -1737.854
where: short stacking energy: -730.897
Base-Backbone interact. energy: -1.394
local terms energy: -783.549213
where:
bonds (distance) C4'-P energy: -139.416
bonds (distance) P-C4' energy: -141.144
flat angles C4'-P-C4' energy: -160.342
flat angles P-C4'-P energy: -113.785
tors. eta vs tors. theta energy: -228.862
Dist. restrs. and SS energy: 11.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2407.806857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.806857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.035999 (E_RNA)
where:
Base-Base interactions energy: -1696.705
where: short stacking energy: -715.959
Base-Backbone interact. energy: 3.269
local terms energy: -723.600009
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -143.001
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -96.155
tors. eta vs tors. theta energy: -223.059
Dist. restrs. and SS energy: 9.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2261.961465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.961465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.645515 (E_RNA)
where:
Base-Base interactions energy: -1597.181
where: short stacking energy: -680.613
Base-Backbone interact. energy: 0.822
local terms energy: -676.286531
where:
bonds (distance) C4'-P energy: -119.140
bonds (distance) P-C4' energy: -117.983
flat angles C4'-P-C4' energy: -147.826
flat angles P-C4'-P energy: -96.901
tors. eta vs tors. theta energy: -194.436
Dist. restrs. and SS energy: 10.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2227.404504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.404504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.005739 (E_RNA)
where:
Base-Base interactions energy: -1587.811
where: short stacking energy: -663.983
Base-Backbone interact. energy: -1.946
local terms energy: -658.249149
where:
bonds (distance) C4'-P energy: -132.671
bonds (distance) P-C4' energy: -120.567
flat angles C4'-P-C4' energy: -139.025
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -191.763
Dist. restrs. and SS energy: 20.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2085.559235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.559235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.567824 (E_RNA)
where:
Base-Base interactions energy: -1458.941
where: short stacking energy: -608.002
Base-Backbone interact. energy: -4.477
local terms energy: -640.149915
where:
bonds (distance) C4'-P energy: -113.104
bonds (distance) P-C4' energy: -118.682
flat angles C4'-P-C4' energy: -138.840
flat angles P-C4'-P energy: -95.318
tors. eta vs tors. theta energy: -174.205
Dist. restrs. and SS energy: 18.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1939.033830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.033830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.078077 (E_RNA)
where:
Base-Base interactions energy: -1331.757
where: short stacking energy: -566.380
Base-Backbone interact. energy: -2.027
local terms energy: -626.294684
where:
bonds (distance) C4'-P energy: -107.456
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -147.832
flat angles P-C4'-P energy: -93.940
tors. eta vs tors. theta energy: -159.103
Dist. restrs. and SS energy: 21.044 (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: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1904.630124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.630124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.946967 (E_RNA)
where:
Base-Base interactions energy: -1395.180
where: short stacking energy: -571.010
Base-Backbone interact. energy: -1.945
local terms energy: -527.821775
where:
bonds (distance) C4'-P energy: -81.596
bonds (distance) P-C4' energy: -96.100
flat angles C4'-P-C4' energy: -121.298
flat angles P-C4'-P energy: -79.562
tors. eta vs tors. theta energy: -149.266
Dist. restrs. and SS energy: 20.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2789.614056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.614056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.927081 (E_RNA)
where:
Base-Base interactions energy: -1938.426
where: short stacking energy: -841.259
Base-Backbone interact. energy: -4.055
local terms energy: -850.446045
where:
bonds (distance) C4'-P energy: -150.847
bonds (distance) P-C4' energy: -146.757
flat angles C4'-P-C4' energy: -184.214
flat angles P-C4'-P energy: -112.145
tors. eta vs tors. theta energy: -256.483
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: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2658.175057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.175057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.021726 (E_RNA)
where:
Base-Base interactions energy: -1881.477
where: short stacking energy: -768.066
Base-Backbone interact. energy: -0.262
local terms energy: -783.283379
where:
bonds (distance) C4'-P energy: -127.812
bonds (distance) P-C4' energy: -141.509
flat angles C4'-P-C4' energy: -169.762
flat angles P-C4'-P energy: -113.918
tors. eta vs tors. theta energy: -230.283
Dist. restrs. and SS energy: 6.847 (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: 118
Temperature: 1.000000
Total energy: -2603.830518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.830518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.413923 (E_RNA)
where:
Base-Base interactions energy: -1806.961
where: short stacking energy: -778.521
Base-Backbone interact. energy: -3.672
local terms energy: -799.780467
where:
bonds (distance) C4'-P energy: -135.399
bonds (distance) P-C4' energy: -150.118
flat angles C4'-P-C4' energy: -164.063
flat angles P-C4'-P energy: -113.789
tors. eta vs tors. theta energy: -236.413
Dist. restrs. and SS energy: 6.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2523.351647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.351647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.079511 (E_RNA)
where:
Base-Base interactions energy: -1776.880
where: short stacking energy: -732.414
Base-Backbone interact. energy: -3.278
local terms energy: -751.920848
where:
bonds (distance) C4'-P energy: -133.509
bonds (distance) P-C4' energy: -130.989
flat angles C4'-P-C4' energy: -158.621
flat angles P-C4'-P energy: -108.908
tors. eta vs tors. theta energy: -219.895
Dist. restrs. and SS energy: 8.728 (S_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: 118
Temperature: 1.100000
Total energy: -2407.508053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.508053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.059373 (E_RNA)
where:
Base-Base interactions energy: -1694.526
where: short stacking energy: -733.585
Base-Backbone interact. energy: 1.845
local terms energy: -728.378432
where:
bonds (distance) C4'-P energy: -124.730
bonds (distance) P-C4' energy: -125.140
flat angles C4'-P-C4' energy: -153.976
flat angles P-C4'-P energy: -116.782
tors. eta vs tors. theta energy: -207.751
Dist. restrs. and SS energy: 13.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2246.944802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.944802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.394301 (E_RNA)
where:
Base-Base interactions energy: -1584.649
where: short stacking energy: -673.293
Base-Backbone interact. energy: 3.856
local terms energy: -679.600987
where:
bonds (distance) C4'-P energy: -137.864
bonds (distance) P-C4' energy: -116.987
flat angles C4'-P-C4' energy: -142.387
flat angles P-C4'-P energy: -95.920
tors. eta vs tors. theta energy: -186.443
Dist. restrs. and SS energy: 13.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2236.979839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.979839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.636956 (E_RNA)
where:
Base-Base interactions energy: -1582.385
where: short stacking energy: -672.434
Base-Backbone interact. energy: 1.742
local terms energy: -669.993746
where:
bonds (distance) C4'-P energy: -114.520
bonds (distance) P-C4' energy: -109.572
flat angles C4'-P-C4' energy: -152.143
flat angles P-C4'-P energy: -88.889
tors. eta vs tors. theta energy: -204.869
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: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -2037.751427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.751427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.627449 (E_RNA)
where:
Base-Base interactions energy: -1444.389
where: short stacking energy: -599.141
Base-Backbone interact. energy: -0.286
local terms energy: -612.952789
where:
bonds (distance) C4'-P energy: -100.482
bonds (distance) P-C4' energy: -118.419
flat angles C4'-P-C4' energy: -135.549
flat angles P-C4'-P energy: -86.265
tors. eta vs tors. theta energy: -172.239
Dist. restrs. and SS energy: 19.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1907.950694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.950694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.982977 (E_RNA)
where:
Base-Base interactions energy: -1355.229
where: short stacking energy: -553.241
Base-Backbone interact. energy: -2.306
local terms energy: -566.448069
where:
bonds (distance) C4'-P energy: -124.215
bonds (distance) P-C4' energy: -108.135
flat angles C4'-P-C4' energy: -117.106
flat angles P-C4'-P energy: -73.095
tors. eta vs tors. theta energy: -143.896
Dist. restrs. and SS energy: 16.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1905.048534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.048534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.003218 (E_RNA)
where:
Base-Base interactions energy: -1338.205
where: short stacking energy: -549.804
Base-Backbone interact. energy: -3.018
local terms energy: -580.780722
where:
bonds (distance) C4'-P energy: -108.980
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -131.056
flat angles P-C4'-P energy: -80.140
tors. eta vs tors. theta energy: -151.291
Dist. restrs. and SS energy: 16.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2791.813986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.813986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.225486 (E_RNA)
where:
Base-Base interactions energy: -1932.450
where: short stacking energy: -832.110
Base-Backbone interact. energy: -2.056
local terms energy: -860.719392
where:
bonds (distance) C4'-P energy: -143.625
bonds (distance) P-C4' energy: -158.581
flat angles C4'-P-C4' energy: -174.572
flat angles P-C4'-P energy: -124.790
tors. eta vs tors. theta energy: -259.151
Dist. restrs. and SS energy: 3.411 (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: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2654.102678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.102678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.440746 (E_RNA)
where:
Base-Base interactions energy: -1845.854
where: short stacking energy: -776.010
Base-Backbone interact. energy: -0.372
local terms energy: -816.214906
where:
bonds (distance) C4'-P energy: -145.264
bonds (distance) P-C4' energy: -150.446
flat angles C4'-P-C4' energy: -171.152
flat angles P-C4'-P energy: -114.083
tors. eta vs tors. theta energy: -235.270
Dist. restrs. and SS energy: 8.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2600.328681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.328681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.289416 (E_RNA)
where:
Base-Base interactions energy: -1809.887
where: short stacking energy: -755.818
Base-Backbone interact. energy: -2.252
local terms energy: -795.149742
where:
bonds (distance) C4'-P energy: -124.039
bonds (distance) P-C4' energy: -148.153
flat angles C4'-P-C4' energy: -160.304
flat angles P-C4'-P energy: -121.953
tors. eta vs tors. theta energy: -240.701
Dist. restrs. and SS energy: 6.961 (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: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2510.711834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.711834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.687712 (E_RNA)
where:
Base-Base interactions energy: -1792.403
where: short stacking energy: -772.839
Base-Backbone interact. energy: -5.668
local terms energy: -722.616556
where:
bonds (distance) C4'-P energy: -122.344
bonds (distance) P-C4' energy: -136.076
flat angles C4'-P-C4' energy: -146.753
flat angles P-C4'-P energy: -98.890
tors. eta vs tors. theta energy: -218.553
Dist. restrs. and SS energy: 9.976 (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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2454.987620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.987620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.871700 (E_RNA)
where:
Base-Base interactions energy: -1717.748
where: short stacking energy: -712.696
Base-Backbone interact. energy: -0.896
local terms energy: -743.227516
where:
bonds (distance) C4'-P energy: -133.963
bonds (distance) P-C4' energy: -131.750
flat angles C4'-P-C4' energy: -153.676
flat angles P-C4'-P energy: -113.791
tors. eta vs tors. theta energy: -210.047
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: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2263.255717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.255717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.536095 (E_RNA)
where:
Base-Base interactions energy: -1594.211
where: short stacking energy: -658.254
Base-Backbone interact. energy: -2.366
local terms energy: -676.959459
where:
bonds (distance) C4'-P energy: -107.309
bonds (distance) P-C4' energy: -140.820
flat angles C4'-P-C4' energy: -149.192
flat angles P-C4'-P energy: -97.951
tors. eta vs tors. theta energy: -181.687
Dist. restrs. and SS energy: 10.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2295.919271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.919271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.949721 (E_RNA)
where:
Base-Base interactions energy: -1607.082
where: short stacking energy: -694.809
Base-Backbone interact. energy: -1.803
local terms energy: -699.065136
where:
bonds (distance) C4'-P energy: -117.750
bonds (distance) P-C4' energy: -150.790
flat angles C4'-P-C4' energy: -144.763
flat angles P-C4'-P energy: -94.730
tors. eta vs tors. theta energy: -191.033
Dist. restrs. and SS energy: 12.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2032.518158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.518158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.105290 (E_RNA)
where:
Base-Base interactions energy: -1435.103
where: short stacking energy: -601.895
Base-Backbone interact. energy: 8.702
local terms energy: -627.704417
where:
bonds (distance) C4'-P energy: -121.658
bonds (distance) P-C4' energy: -115.262
flat angles C4'-P-C4' energy: -152.941
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -168.734
Dist. restrs. and SS energy: 21.587 (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: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1977.289966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.289966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.878532 (E_RNA)
where:
Base-Base interactions energy: -1376.787
where: short stacking energy: -562.090
Base-Backbone interact. energy: 3.254
local terms energy: -622.345580
where:
bonds (distance) C4'-P energy: -107.606
bonds (distance) P-C4' energy: -120.860
flat angles C4'-P-C4' energy: -152.222
flat angles P-C4'-P energy: -78.632
tors. eta vs tors. theta energy: -163.026
Dist. restrs. and SS energy: 18.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1909.537259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.537259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.579883 (E_RNA)
where:
Base-Base interactions energy: -1373.242
where: short stacking energy: -550.787
Base-Backbone interact. energy: -0.960
local terms energy: -552.378347
where:
bonds (distance) C4'-P energy: -98.234
bonds (distance) P-C4' energy: -116.077
flat angles C4'-P-C4' energy: -125.831
flat angles P-C4'-P energy: -69.084
tors. eta vs tors. theta energy: -143.153
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2788.773231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.773231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.824021 (E_RNA)
where:
Base-Base interactions energy: -1917.682
where: short stacking energy: -836.742
Base-Backbone interact. energy: -2.987
local terms energy: -871.155371
where:
bonds (distance) C4'-P energy: -157.750
bonds (distance) P-C4' energy: -157.862
flat angles C4'-P-C4' energy: -172.444
flat angles P-C4'-P energy: -120.020
tors. eta vs tors. theta energy: -263.081
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: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2673.196979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.196979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.466187 (E_RNA)
where:
Base-Base interactions energy: -1851.940
where: short stacking energy: -787.223
Base-Backbone interact. energy: -3.117
local terms energy: -827.408967
where:
bonds (distance) C4'-P energy: -155.236
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -173.596
flat angles P-C4'-P energy: -120.013
tors. eta vs tors. theta energy: -237.462
Dist. restrs. and SS energy: 9.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2548.837080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.837080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.816104 (E_RNA)
where:
Base-Base interactions energy: -1777.195
where: short stacking energy: -769.628
Base-Backbone interact. energy: -0.358
local terms energy: -779.263151
where:
bonds (distance) C4'-P energy: -123.708
bonds (distance) P-C4' energy: -137.800
flat angles C4'-P-C4' energy: -163.433
flat angles P-C4'-P energy: -120.690
tors. eta vs tors. theta energy: -233.632
Dist. restrs. and SS energy: 7.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2513.538052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.538052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.246034 (E_RNA)
where:
Base-Base interactions energy: -1748.929
where: short stacking energy: -743.479
Base-Backbone interact. energy: -1.789
local terms energy: -771.528259
where:
bonds (distance) C4'-P energy: -134.947
bonds (distance) P-C4' energy: -149.505
flat angles C4'-P-C4' energy: -151.493
flat angles P-C4'-P energy: -108.954
tors. eta vs tors. theta energy: -226.629
Dist. restrs. and SS energy: 8.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2439.424497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.424497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.994554 (E_RNA)
where:
Base-Base interactions energy: -1714.923
where: short stacking energy: -744.870
Base-Backbone interact. energy: -1.061
local terms energy: -731.011015
where:
bonds (distance) C4'-P energy: -116.889
bonds (distance) P-C4' energy: -135.181
flat angles C4'-P-C4' energy: -161.204
flat angles P-C4'-P energy: -109.674
tors. eta vs tors. theta energy: -208.063
Dist. restrs. and SS energy: 7.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2268.054288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.054288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.396784 (E_RNA)
where:
Base-Base interactions energy: -1592.011
where: short stacking energy: -650.606
Base-Backbone interact. energy: -1.025
local terms energy: -684.361566
where:
bonds (distance) C4'-P energy: -124.634
bonds (distance) P-C4' energy: -121.301
flat angles C4'-P-C4' energy: -149.808
flat angles P-C4'-P energy: -90.129
tors. eta vs tors. theta energy: -198.489
Dist. restrs. and SS energy: 9.342 (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: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2234.117672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.117672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.116144 (E_RNA)
where:
Base-Base interactions energy: -1555.496
where: short stacking energy: -659.104
Base-Backbone interact. energy: -3.358
local terms energy: -686.262066
where:
bonds (distance) C4'-P energy: -104.504
bonds (distance) P-C4' energy: -131.450
flat angles C4'-P-C4' energy: -145.189
flat angles P-C4'-P energy: -98.068
tors. eta vs tors. theta energy: -207.052
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2085.551756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.551756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.680589 (E_RNA)
where:
Base-Base interactions energy: -1486.510
where: short stacking energy: -604.262
Base-Backbone interact. energy: -2.242
local terms energy: -612.927942
where:
bonds (distance) C4'-P energy: -105.371
bonds (distance) P-C4' energy: -132.394
flat angles C4'-P-C4' energy: -137.510
flat angles P-C4'-P energy: -73.519
tors. eta vs tors. theta energy: -164.135
Dist. restrs. and SS energy: 16.129 (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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -2031.704071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.704071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.861936 (E_RNA)
where:
Base-Base interactions energy: -1474.710
where: short stacking energy: -586.030
Base-Backbone interact. energy: 1.995
local terms energy: -571.146148
where:
bonds (distance) C4'-P energy: -88.194
bonds (distance) P-C4' energy: -99.898
flat angles C4'-P-C4' energy: -141.551
flat angles P-C4'-P energy: -86.967
tors. eta vs tors. theta energy: -154.535
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: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1977.135278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.135278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.590868 (E_RNA)
where:
Base-Base interactions energy: -1365.631
where: short stacking energy: -563.244
Base-Backbone interact. energy: -1.260
local terms energy: -628.699130
where:
bonds (distance) C4'-P energy: -119.848
bonds (distance) P-C4' energy: -129.389
flat angles C4'-P-C4' energy: -141.302
flat angles P-C4'-P energy: -74.690
tors. eta vs tors. theta energy: -163.470
Dist. restrs. and SS energy: 18.456 (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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2745.793693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.793693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.012443 (E_RNA)
where:
Base-Base interactions energy: -1911.757
where: short stacking energy: -814.766
Base-Backbone interact. energy: -1.672
local terms energy: -836.582844
where:
bonds (distance) C4'-P energy: -152.962
bonds (distance) P-C4' energy: -138.592
flat angles C4'-P-C4' energy: -170.358
flat angles P-C4'-P energy: -118.869
tors. eta vs tors. theta energy: -255.802
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: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2645.320156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.320156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.801938 (E_RNA)
where:
Base-Base interactions energy: -1838.319
where: short stacking energy: -778.589
Base-Backbone interact. energy: -0.080
local terms energy: -812.403093
where:
bonds (distance) C4'-P energy: -130.656
bonds (distance) P-C4' energy: -158.644
flat angles C4'-P-C4' energy: -176.395
flat angles P-C4'-P energy: -106.113
tors. eta vs tors. theta energy: -240.596
Dist. restrs. and SS energy: 5.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2632.628086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.628086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.647183 (E_RNA)
where:
Base-Base interactions energy: -1829.680
where: short stacking energy: -774.610
Base-Backbone interact. energy: -1.707
local terms energy: -808.260447
where:
bonds (distance) C4'-P energy: -149.370
bonds (distance) P-C4' energy: -156.650
flat angles C4'-P-C4' energy: -149.741
flat angles P-C4'-P energy: -115.151
tors. eta vs tors. theta energy: -237.349
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: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2541.776990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.776990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.986730 (E_RNA)
where:
Base-Base interactions energy: -1804.891
where: short stacking energy: -754.284
Base-Backbone interact. energy: -0.018
local terms energy: -745.077824
where:
bonds (distance) C4'-P energy: -119.050
bonds (distance) P-C4' energy: -134.344
flat angles C4'-P-C4' energy: -158.807
flat angles P-C4'-P energy: -99.242
tors. eta vs tors. theta energy: -233.635
Dist. restrs. and SS energy: 8.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2403.802340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.802340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.604113 (E_RNA)
where:
Base-Base interactions energy: -1709.613
where: short stacking energy: -714.169
Base-Backbone interact. energy: -1.634
local terms energy: -701.357263
where:
bonds (distance) C4'-P energy: -121.987
bonds (distance) P-C4' energy: -140.279
flat angles C4'-P-C4' energy: -137.174
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -197.154
Dist. restrs. and SS energy: 8.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2237.886728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.886728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.642931 (E_RNA)
where:
Base-Base interactions energy: -1577.518
where: short stacking energy: -686.482
Base-Backbone interact. energy: -0.476
local terms energy: -672.648732
where:
bonds (distance) C4'-P energy: -131.975
bonds (distance) P-C4' energy: -117.980
flat angles C4'-P-C4' energy: -153.699
flat angles P-C4'-P energy: -82.155
tors. eta vs tors. theta energy: -186.840
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: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2270.231644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.231644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.762673 (E_RNA)
where:
Base-Base interactions energy: -1591.408
where: short stacking energy: -649.928
Base-Backbone interact. energy: 1.394
local terms energy: -691.748505
where:
bonds (distance) C4'-P energy: -118.125
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -152.814
flat angles P-C4'-P energy: -95.619
tors. eta vs tors. theta energy: -202.401
Dist. restrs. and SS energy: 11.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2062.015829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.015829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.617973 (E_RNA)
where:
Base-Base interactions energy: -1445.989
where: short stacking energy: -601.538
Base-Backbone interact. energy: 2.557
local terms energy: -634.185857
where:
bonds (distance) C4'-P energy: -129.585
bonds (distance) P-C4' energy: -111.180
flat angles C4'-P-C4' energy: -142.498
flat angles P-C4'-P energy: -81.080
tors. eta vs tors. theta energy: -169.843
Dist. restrs. and SS energy: 15.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -2026.865337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.865337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.488609 (E_RNA)
where:
Base-Base interactions energy: -1435.449
where: short stacking energy: -590.335
Base-Backbone interact. energy: -3.642
local terms energy: -619.397597
where:
bonds (distance) C4'-P energy: -116.003
bonds (distance) P-C4' energy: -106.734
flat angles C4'-P-C4' energy: -143.336
flat angles P-C4'-P energy: -84.775
tors. eta vs tors. theta energy: -168.549
Dist. restrs. and SS energy: 31.623 (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: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1876.349510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.349510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.322743 (E_RNA)
where:
Base-Base interactions energy: -1306.702
where: short stacking energy: -534.602
Base-Backbone interact. energy: 0.814
local terms energy: -594.434895
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -116.916
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -159.054
Dist. restrs. and SS energy: 23.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2772.205829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.205829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.897499 (E_RNA)
where:
Base-Base interactions energy: -1928.795
where: short stacking energy: -831.878
Base-Backbone interact. energy: -3.368
local terms energy: -841.734554
where:
bonds (distance) C4'-P energy: -142.857
bonds (distance) P-C4' energy: -146.608
flat angles C4'-P-C4' energy: -176.479
flat angles P-C4'-P energy: -113.457
tors. eta vs tors. theta energy: -262.333
Dist. restrs. and SS energy: 1.692 (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: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2638.784163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.784163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.808063 (E_RNA)
where:
Base-Base interactions energy: -1843.164
where: short stacking energy: -755.582
Base-Backbone interact. energy: -3.325
local terms energy: -797.319416
where:
bonds (distance) C4'-P energy: -134.776
bonds (distance) P-C4' energy: -145.016
flat angles C4'-P-C4' energy: -171.627
flat angles P-C4'-P energy: -105.892
tors. eta vs tors. theta energy: -240.008
Dist. restrs. and SS energy: 5.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2552.869666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.869666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.723534 (E_RNA)
where:
Base-Base interactions energy: -1797.583
where: short stacking energy: -759.540
Base-Backbone interact. energy: -3.742
local terms energy: -755.399265
where:
bonds (distance) C4'-P energy: -129.074
bonds (distance) P-C4' energy: -145.511
flat angles C4'-P-C4' energy: -159.925
flat angles P-C4'-P energy: -100.480
tors. eta vs tors. theta energy: -220.410
Dist. restrs. and SS energy: 3.854 (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: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2523.850757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.850757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.870590 (E_RNA)
where:
Base-Base interactions energy: -1749.158
where: short stacking energy: -735.949
Base-Backbone interact. energy: -5.608
local terms energy: -777.104970
where:
bonds (distance) C4'-P energy: -127.995
bonds (distance) P-C4' energy: -158.067
flat angles C4'-P-C4' energy: -153.829
flat angles P-C4'-P energy: -116.094
tors. eta vs tors. theta energy: -221.119
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: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2425.066297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.066297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.992727 (E_RNA)
where:
Base-Base interactions energy: -1711.046
where: short stacking energy: -721.863
Base-Backbone interact. energy: -2.086
local terms energy: -715.860221
where:
bonds (distance) C4'-P energy: -111.281
bonds (distance) P-C4' energy: -139.989
flat angles C4'-P-C4' energy: -160.512
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -220.854
Dist. restrs. and SS energy: 3.926 (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: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2254.702996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.702996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.829810 (E_RNA)
where:
Base-Base interactions energy: -1584.721
where: short stacking energy: -671.501
Base-Backbone interact. energy: -4.545
local terms energy: -679.563808
where:
bonds (distance) C4'-P energy: -117.702
bonds (distance) P-C4' energy: -128.101
flat angles C4'-P-C4' energy: -149.508
flat angles P-C4'-P energy: -100.697
tors. eta vs tors. theta energy: -183.555
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: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2265.864456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.864456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.207566 (E_RNA)
where:
Base-Base interactions energy: -1601.266
where: short stacking energy: -658.462
Base-Backbone interact. energy: 1.846
local terms energy: -679.788075
where:
bonds (distance) C4'-P energy: -123.612
bonds (distance) P-C4' energy: -120.242
flat angles C4'-P-C4' energy: -152.543
flat angles P-C4'-P energy: -89.542
tors. eta vs tors. theta energy: -193.850
Dist. restrs. and SS energy: 13.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2105.348843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.348843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.613735 (E_RNA)
where:
Base-Base interactions energy: -1450.456
where: short stacking energy: -622.933
Base-Backbone interact. energy: -2.674
local terms energy: -668.484081
where:
bonds (distance) C4'-P energy: -112.600
bonds (distance) P-C4' energy: -119.207
flat angles C4'-P-C4' energy: -150.546
flat angles P-C4'-P energy: -96.041
tors. eta vs tors. theta energy: -190.090
Dist. restrs. and SS energy: 16.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -2056.279900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.279900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.910189 (E_RNA)
where:
Base-Base interactions energy: -1456.152
where: short stacking energy: -588.402
Base-Backbone interact. energy: -2.422
local terms energy: -619.335810
where:
bonds (distance) C4'-P energy: -99.389
bonds (distance) P-C4' energy: -117.814
flat angles C4'-P-C4' energy: -140.671
flat angles P-C4'-P energy: -92.302
tors. eta vs tors. theta energy: -169.159
Dist. restrs. and SS energy: 21.630 (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: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1909.904149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.904149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.829577 (E_RNA)
where:
Base-Base interactions energy: -1369.013
where: short stacking energy: -589.590
Base-Backbone interact. energy: -0.175
local terms energy: -566.641477
where:
bonds (distance) C4'-P energy: -107.578
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -119.158
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: -159.095
Dist. restrs. and SS energy: 25.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2796.385589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.385589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.895579 (E_RNA)
where:
Base-Base interactions energy: -1984.540
where: short stacking energy: -844.207
Base-Backbone interact. energy: 0.139
local terms energy: -815.494412
where:
bonds (distance) C4'-P energy: -118.394
bonds (distance) P-C4' energy: -149.950
flat angles C4'-P-C4' energy: -174.844
flat angles P-C4'-P energy: -117.554
tors. eta vs tors. theta energy: -254.752
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2636.405276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.405276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.173433 (E_RNA)
where:
Base-Base interactions energy: -1836.560
where: short stacking energy: -774.796
Base-Backbone interact. energy: -1.508
local terms energy: -804.104762
where:
bonds (distance) C4'-P energy: -152.712
bonds (distance) P-C4' energy: -140.968
flat angles C4'-P-C4' energy: -169.089
flat angles P-C4'-P energy: -110.674
tors. eta vs tors. theta energy: -230.661
Dist. restrs. and SS energy: 5.768 (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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2541.762846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.762846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.895969 (E_RNA)
where:
Base-Base interactions energy: -1772.909
where: short stacking energy: -770.760
Base-Backbone interact. energy: -1.228
local terms energy: -775.758885
where:
bonds (distance) C4'-P energy: -138.319
bonds (distance) P-C4' energy: -130.520
flat angles C4'-P-C4' energy: -162.450
flat angles P-C4'-P energy: -111.398
tors. eta vs tors. theta energy: -233.072
Dist. restrs. and SS energy: 8.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2463.057813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.057813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.987670 (E_RNA)
where:
Base-Base interactions energy: -1737.239
where: short stacking energy: -706.662
Base-Backbone interact. energy: -1.494
local terms energy: -730.254259
where:
bonds (distance) C4'-P energy: -142.221
bonds (distance) P-C4' energy: -124.099
flat angles C4'-P-C4' energy: -165.371
flat angles P-C4'-P energy: -93.261
tors. eta vs tors. theta energy: -205.303
Dist. restrs. and SS energy: 5.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2490.467880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.467880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.916911 (E_RNA)
where:
Base-Base interactions energy: -1746.097
where: short stacking energy: -737.845
Base-Backbone interact. energy: -4.757
local terms energy: -748.062834
where:
bonds (distance) C4'-P energy: -141.253
bonds (distance) P-C4' energy: -133.264
flat angles C4'-P-C4' energy: -153.298
flat angles P-C4'-P energy: -95.921
tors. eta vs tors. theta energy: -224.327
Dist. restrs. and SS energy: 8.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2307.875005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.875005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.253507 (E_RNA)
where:
Base-Base interactions energy: -1652.824
where: short stacking energy: -669.137
Base-Backbone interact. energy: -1.167
local terms energy: -661.262599
where:
bonds (distance) C4'-P energy: -118.010
bonds (distance) P-C4' energy: -117.723
flat angles C4'-P-C4' energy: -135.393
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -193.303
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2171.304533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.304533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.651955 (E_RNA)
where:
Base-Base interactions energy: -1526.738
where: short stacking energy: -647.679
Base-Backbone interact. energy: -2.505
local terms energy: -651.408587
where:
bonds (distance) C4'-P energy: -121.826
bonds (distance) P-C4' energy: -135.845
flat angles C4'-P-C4' energy: -149.631
flat angles P-C4'-P energy: -73.301
tors. eta vs tors. theta energy: -170.806
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2130.372019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.372019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.261138 (E_RNA)
where:
Base-Base interactions energy: -1510.047
where: short stacking energy: -621.537
Base-Backbone interact. energy: -2.431
local terms energy: -630.783274
where:
bonds (distance) C4'-P energy: -115.327
bonds (distance) P-C4' energy: -107.057
flat angles C4'-P-C4' energy: -147.262
flat angles P-C4'-P energy: -80.050
tors. eta vs tors. theta energy: -181.087
Dist. restrs. and SS energy: 12.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -2064.354625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.084649 (E_RNA)
where:
Base-Base interactions energy: -1465.687
where: short stacking energy: -608.111
Base-Backbone interact. energy: -1.448
local terms energy: -619.949840
where:
bonds (distance) C4'-P energy: -96.245
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -150.739
flat angles P-C4'-P energy: -84.476
tors. eta vs tors. theta energy: -170.612
Dist. restrs. and SS energy: 22.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1898.240175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.240175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.327596 (E_RNA)
where:
Base-Base interactions energy: -1302.227
where: short stacking energy: -568.804
Base-Backbone interact. energy: -0.887
local terms energy: -614.213792
where:
bonds (distance) C4'-P energy: -124.996
bonds (distance) P-C4' energy: -123.991
flat angles C4'-P-C4' energy: -123.253
flat angles P-C4'-P energy: -76.558
tors. eta vs tors. theta energy: -165.415
Dist. restrs. and SS energy: 19.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2804.018561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.151630 (E_RNA)
where:
Base-Base interactions energy: -1948.279
where: short stacking energy: -846.709
Base-Backbone interact. energy: -0.898
local terms energy: -857.974290
where:
bonds (distance) C4'-P energy: -141.511
bonds (distance) P-C4' energy: -153.568
flat angles C4'-P-C4' energy: -184.228
flat angles P-C4'-P energy: -119.114
tors. eta vs tors. theta energy: -259.554
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2585.037776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.037776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.907954 (E_RNA)
where:
Base-Base interactions energy: -1792.117
where: short stacking energy: -748.789
Base-Backbone interact. energy: -3.618
local terms energy: -794.172326
where:
bonds (distance) C4'-P energy: -138.864
bonds (distance) P-C4' energy: -152.951
flat angles C4'-P-C4' energy: -170.228
flat angles P-C4'-P energy: -114.147
tors. eta vs tors. theta energy: -217.982
Dist. restrs. and SS energy: 4.870 (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: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2589.855420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.855420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.197007 (E_RNA)
where:
Base-Base interactions energy: -1795.454
where: short stacking energy: -780.601
Base-Backbone interact. energy: -0.967
local terms energy: -804.776325
where:
bonds (distance) C4'-P energy: -148.051
bonds (distance) P-C4' energy: -141.292
flat angles C4'-P-C4' energy: -158.942
flat angles P-C4'-P energy: -114.104
tors. eta vs tors. theta energy: -242.387
Dist. restrs. and SS energy: 11.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2493.184847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.184847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.260809 (E_RNA)
where:
Base-Base interactions energy: -1768.144
where: short stacking energy: -746.786
Base-Backbone interact. energy: -2.350
local terms energy: -726.767086
where:
bonds (distance) C4'-P energy: -125.704
bonds (distance) P-C4' energy: -132.780
flat angles C4'-P-C4' energy: -153.445
flat angles P-C4'-P energy: -102.775
tors. eta vs tors. theta energy: -212.064
Dist. restrs. and SS energy: 4.076 (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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2465.064071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.064071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.917038 (E_RNA)
where:
Base-Base interactions energy: -1751.645
where: short stacking energy: -768.892
Base-Backbone interact. energy: -3.758
local terms energy: -716.514333
where:
bonds (distance) C4'-P energy: -102.434
bonds (distance) P-C4' energy: -131.058
flat angles C4'-P-C4' energy: -150.476
flat angles P-C4'-P energy: -111.608
tors. eta vs tors. theta energy: -220.938
Dist. restrs. and SS energy: 6.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2324.414720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.414720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.401314 (E_RNA)
where:
Base-Base interactions energy: -1616.747
where: short stacking energy: -691.242
Base-Backbone interact. energy: 4.540
local terms energy: -728.194554
where:
bonds (distance) C4'-P energy: -119.761
bonds (distance) P-C4' energy: -134.399
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -109.412
tors. eta vs tors. theta energy: -208.361
Dist. restrs. and SS energy: 15.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2160.251167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.251167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.178512 (E_RNA)
where:
Base-Base interactions energy: -1511.111
where: short stacking energy: -646.260
Base-Backbone interact. energy: 2.891
local terms energy: -664.959129
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -114.350
flat angles C4'-P-C4' energy: -153.769
flat angles P-C4'-P energy: -97.110
tors. eta vs tors. theta energy: -168.485
Dist. restrs. and SS energy: 12.927 (S_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: 124
Temperature: 1.250000
Total energy: -2145.208805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.208805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.269306 (E_RNA)
where:
Base-Base interactions energy: -1496.049
where: short stacking energy: -623.223
Base-Backbone interact. energy: -0.382
local terms energy: -669.837867
where:
bonds (distance) C4'-P energy: -113.275
bonds (distance) P-C4' energy: -126.840
flat angles C4'-P-C4' energy: -152.137
flat angles P-C4'-P energy: -91.607
tors. eta vs tors. theta energy: -185.979
Dist. restrs. and SS energy: 21.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -2053.744358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.744358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.615223 (E_RNA)
where:
Base-Base interactions energy: -1454.356
where: short stacking energy: -618.783
Base-Backbone interact. energy: -1.080
local terms energy: -616.179554
where:
bonds (distance) C4'-P energy: -115.090
bonds (distance) P-C4' energy: -117.018
flat angles C4'-P-C4' energy: -132.032
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -182.736
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: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1848.624704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.624704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.646532 (E_RNA)
where:
Base-Base interactions energy: -1317.089
where: short stacking energy: -546.063
Base-Backbone interact. energy: -2.316
local terms energy: -559.242067
where:
bonds (distance) C4'-P energy: -102.216
bonds (distance) P-C4' energy: -128.785
flat angles C4'-P-C4' energy: -123.948
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -134.523
Dist. restrs. and SS energy: 30.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2791.918682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.918682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.869319 (E_RNA)
where:
Base-Base interactions energy: -1935.455
where: short stacking energy: -838.855
Base-Backbone interact. energy: -2.848
local terms energy: -856.565751
where:
bonds (distance) C4'-P energy: -138.480
bonds (distance) P-C4' energy: -159.945
flat angles C4'-P-C4' energy: -181.837
flat angles P-C4'-P energy: -116.586
tors. eta vs tors. theta energy: -259.718
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: 125
Temperature: 0.950000
Total energy: -2611.354569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.354569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.231262 (E_RNA)
where:
Base-Base interactions energy: -1823.184
where: short stacking energy: -774.336
Base-Backbone interact. energy: 1.758
local terms energy: -795.805636
where:
bonds (distance) C4'-P energy: -144.016
bonds (distance) P-C4' energy: -140.110
flat angles C4'-P-C4' energy: -162.063
flat angles P-C4'-P energy: -114.300
tors. eta vs tors. theta energy: -235.316
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: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2537.171735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.531743 (E_RNA)
where:
Base-Base interactions energy: -1790.170
where: short stacking energy: -740.796
Base-Backbone interact. energy: -3.341
local terms energy: -756.020616
where:
bonds (distance) C4'-P energy: -140.537
bonds (distance) P-C4' energy: -122.755
flat angles C4'-P-C4' energy: -161.446
flat angles P-C4'-P energy: -109.404
tors. eta vs tors. theta energy: -221.880
Dist. restrs. and SS energy: 12.360 (S_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: 125
Temperature: 1.050000
Total energy: -2477.744279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.744279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.946643 (E_RNA)
where:
Base-Base interactions energy: -1726.221
where: short stacking energy: -734.933
Base-Backbone interact. energy: -0.584
local terms energy: -755.141462
where:
bonds (distance) C4'-P energy: -137.314
bonds (distance) P-C4' energy: -142.297
flat angles C4'-P-C4' energy: -156.000
flat angles P-C4'-P energy: -94.532
tors. eta vs tors. theta energy: -224.998
Dist. restrs. and SS energy: 4.202 (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: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2458.318177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.318177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.805366 (E_RNA)
where:
Base-Base interactions energy: -1732.060
where: short stacking energy: -720.071
Base-Backbone interact. energy: 0.406
local terms energy: -734.151251
where:
bonds (distance) C4'-P energy: -124.904
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -232.261
Dist. restrs. and SS energy: 7.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2284.595115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.595115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.918823 (E_RNA)
where:
Base-Base interactions energy: -1583.847
where: short stacking energy: -673.634
Base-Backbone interact. energy: -2.188
local terms energy: -712.883632
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -129.721
flat angles C4'-P-C4' energy: -160.588
flat angles P-C4'-P energy: -97.705
tors. eta vs tors. theta energy: -205.490
Dist. restrs. and SS energy: 14.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2220.931898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.931898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.547771 (E_RNA)
where:
Base-Base interactions energy: -1575.901
where: short stacking energy: -636.635
Base-Backbone interact. energy: -3.125
local terms energy: -652.522272
where:
bonds (distance) C4'-P energy: -127.464
bonds (distance) P-C4' energy: -121.932
flat angles C4'-P-C4' energy: -137.916
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -177.036
Dist. restrs. and SS energy: 10.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -2173.356926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.356926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.971795 (E_RNA)
where:
Base-Base interactions energy: -1530.081
where: short stacking energy: -617.381
Base-Backbone interact. energy: 0.562
local terms energy: -658.453054
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -115.352
flat angles C4'-P-C4' energy: -139.749
flat angles P-C4'-P energy: -90.471
tors. eta vs tors. theta energy: -192.709
Dist. restrs. and SS energy: 14.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -2016.953666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.953666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.913602 (E_RNA)
where:
Base-Base interactions energy: -1430.367
where: short stacking energy: -585.660
Base-Backbone interact. energy: 2.657
local terms energy: -615.204210
where:
bonds (distance) C4'-P energy: -97.204
bonds (distance) P-C4' energy: -127.672
flat angles C4'-P-C4' energy: -137.137
flat angles P-C4'-P energy: -83.882
tors. eta vs tors. theta energy: -169.308
Dist. restrs. and SS energy: 25.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1878.572825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.572825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.375273 (E_RNA)
where:
Base-Base interactions energy: -1343.905
where: short stacking energy: -556.535
Base-Backbone interact. energy: -2.240
local terms energy: -561.229958
where:
bonds (distance) C4'-P energy: -103.057
bonds (distance) P-C4' energy: -104.446
flat angles C4'-P-C4' energy: -128.077
flat angles P-C4'-P energy: -85.235
tors. eta vs tors. theta energy: -140.415
Dist. restrs. and SS energy: 28.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2784.642065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.642065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.621729 (E_RNA)
where:
Base-Base interactions energy: -1947.251
where: short stacking energy: -823.039
Base-Backbone interact. energy: -3.467
local terms energy: -836.904128
where:
bonds (distance) C4'-P energy: -160.950
bonds (distance) P-C4' energy: -143.782
flat angles C4'-P-C4' energy: -169.220
flat angles P-C4'-P energy: -115.396
tors. eta vs tors. theta energy: -247.557
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2658.706321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.706321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.661632 (E_RNA)
where:
Base-Base interactions energy: -1849.939
where: short stacking energy: -787.162
Base-Backbone interact. energy: -2.234
local terms energy: -813.487844
where:
bonds (distance) C4'-P energy: -149.188
bonds (distance) P-C4' energy: -146.731
flat angles C4'-P-C4' energy: -162.522
flat angles P-C4'-P energy: -111.705
tors. eta vs tors. theta energy: -243.342
Dist. restrs. and SS energy: 6.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2514.149578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.149578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.070157 (E_RNA)
where:
Base-Base interactions energy: -1743.345
where: short stacking energy: -747.345
Base-Backbone interact. energy: 1.642
local terms energy: -777.367267
where:
bonds (distance) C4'-P energy: -147.059
bonds (distance) P-C4' energy: -150.409
flat angles C4'-P-C4' energy: -164.683
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -217.862
Dist. restrs. and SS energy: 4.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2495.944505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.944505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.600786 (E_RNA)
where:
Base-Base interactions energy: -1749.465
where: short stacking energy: -747.540
Base-Backbone interact. energy: 0.170
local terms energy: -753.305944
where:
bonds (distance) C4'-P energy: -138.212
bonds (distance) P-C4' energy: -120.104
flat angles C4'-P-C4' energy: -160.396
flat angles P-C4'-P energy: -109.928
tors. eta vs tors. theta energy: -224.666
Dist. restrs. and SS energy: 6.656 (S_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: 126
Temperature: 1.100000
Total energy: -2462.512295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.512295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.638818 (E_RNA)
where:
Base-Base interactions energy: -1726.825
where: short stacking energy: -729.876
Base-Backbone interact. energy: 1.135
local terms energy: -743.948473
where:
bonds (distance) C4'-P energy: -118.713
bonds (distance) P-C4' energy: -150.128
flat angles C4'-P-C4' energy: -155.721
flat angles P-C4'-P energy: -102.034
tors. eta vs tors. theta energy: -217.353
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: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2331.713800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.713800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.354087 (E_RNA)
where:
Base-Base interactions energy: -1624.000
where: short stacking energy: -702.365
Base-Backbone interact. energy: -2.288
local terms energy: -722.066244
where:
bonds (distance) C4'-P energy: -132.996
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -155.703
flat angles P-C4'-P energy: -87.169
tors. eta vs tors. theta energy: -211.633
Dist. restrs. and SS energy: 16.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2208.072784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.072784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.448654 (E_RNA)
where:
Base-Base interactions energy: -1563.551
where: short stacking energy: -652.472
Base-Backbone interact. energy: -2.435
local terms energy: -655.462817
where:
bonds (distance) C4'-P energy: -121.765
bonds (distance) P-C4' energy: -129.017
flat angles C4'-P-C4' energy: -147.144
flat angles P-C4'-P energy: -77.316
tors. eta vs tors. theta energy: -180.220
Dist. restrs. and SS energy: 13.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2126.189559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.189559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.879964 (E_RNA)
where:
Base-Base interactions energy: -1518.729
where: short stacking energy: -628.816
Base-Backbone interact. energy: -2.411
local terms energy: -620.740046
where:
bonds (distance) C4'-P energy: -117.557
bonds (distance) P-C4' energy: -108.413
flat angles C4'-P-C4' energy: -122.268
flat angles P-C4'-P energy: -94.473
tors. eta vs tors. theta energy: -178.029
Dist. restrs. and SS energy: 15.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -2054.527124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.527124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.073447 (E_RNA)
where:
Base-Base interactions energy: -1486.826
where: short stacking energy: -628.164
Base-Backbone interact. energy: 4.529
local terms energy: -591.775632
where:
bonds (distance) C4'-P energy: -127.493
bonds (distance) P-C4' energy: -107.314
flat angles C4'-P-C4' energy: -128.182
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -169.710
Dist. restrs. and SS energy: 19.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1871.493661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.493661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.358782 (E_RNA)
where:
Base-Base interactions energy: -1322.850
where: short stacking energy: -541.991
Base-Backbone interact. energy: -0.888
local terms energy: -578.621282
where:
bonds (distance) C4'-P energy: -114.673
bonds (distance) P-C4' energy: -99.259
flat angles C4'-P-C4' energy: -131.091
flat angles P-C4'-P energy: -84.019
tors. eta vs tors. theta energy: -149.579
Dist. restrs. and SS energy: 30.865 (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: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2780.977158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.977158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.856083 (E_RNA)
where:
Base-Base interactions energy: -1948.637
where: short stacking energy: -842.229
Base-Backbone interact. energy: -5.210
local terms energy: -830.009441
where:
bonds (distance) C4'-P energy: -149.407
bonds (distance) P-C4' energy: -145.497
flat angles C4'-P-C4' energy: -170.016
flat angles P-C4'-P energy: -120.664
tors. eta vs tors. theta energy: -244.427
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2630.127418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.127418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.464763 (E_RNA)
where:
Base-Base interactions energy: -1866.252
where: short stacking energy: -785.788
Base-Backbone interact. energy: -2.633
local terms energy: -767.579971
where:
bonds (distance) C4'-P energy: -117.113
bonds (distance) P-C4' energy: -141.895
flat angles C4'-P-C4' energy: -154.150
flat angles P-C4'-P energy: -119.410
tors. eta vs tors. theta energy: -235.011
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2533.713848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.713848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.475926 (E_RNA)
where:
Base-Base interactions energy: -1772.151
where: short stacking energy: -752.149
Base-Backbone interact. energy: -5.087
local terms energy: -762.237674
where:
bonds (distance) C4'-P energy: -134.171
bonds (distance) P-C4' energy: -146.354
flat angles C4'-P-C4' energy: -156.209
flat angles P-C4'-P energy: -108.184
tors. eta vs tors. theta energy: -217.320
Dist. restrs. and SS energy: 5.762 (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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2541.820467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.820467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.974225 (E_RNA)
where:
Base-Base interactions energy: -1773.676
where: short stacking energy: -758.703
Base-Backbone interact. energy: 1.824
local terms energy: -776.122319
where:
bonds (distance) C4'-P energy: -143.704
bonds (distance) P-C4' energy: -135.878
flat angles C4'-P-C4' energy: -161.440
flat angles P-C4'-P energy: -102.227
tors. eta vs tors. theta energy: -232.874
Dist. restrs. and SS energy: 6.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2471.813273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.813273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.129097 (E_RNA)
where:
Base-Base interactions energy: -1718.232
where: short stacking energy: -710.857
Base-Backbone interact. energy: -2.615
local terms energy: -756.282081
where:
bonds (distance) C4'-P energy: -128.961
bonds (distance) P-C4' energy: -140.263
flat angles C4'-P-C4' energy: -164.568
flat angles P-C4'-P energy: -105.465
tors. eta vs tors. theta energy: -217.024
Dist. restrs. and SS energy: 5.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2338.538213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.538213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.047283 (E_RNA)
where:
Base-Base interactions energy: -1668.562
where: short stacking energy: -712.638
Base-Backbone interact. energy: -2.470
local terms energy: -685.015446
where:
bonds (distance) C4'-P energy: -108.095
bonds (distance) P-C4' energy: -120.770
flat angles C4'-P-C4' energy: -145.222
flat angles P-C4'-P energy: -104.806
tors. eta vs tors. theta energy: -206.123
Dist. restrs. and SS energy: 17.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2226.065522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.065522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.015922 (E_RNA)
where:
Base-Base interactions energy: -1571.734
where: short stacking energy: -646.230
Base-Backbone interact. energy: -0.435
local terms energy: -666.846122
where:
bonds (distance) C4'-P energy: -130.694
bonds (distance) P-C4' energy: -109.242
flat angles C4'-P-C4' energy: -154.271
flat angles P-C4'-P energy: -93.545
tors. eta vs tors. theta energy: -179.094
Dist. restrs. and SS energy: 12.950 (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: 127
Temperature: 1.250000
Total energy: -2179.000402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.000402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.777833 (E_RNA)
where:
Base-Base interactions energy: -1523.126
where: short stacking energy: -656.612
Base-Backbone interact. energy: -2.391
local terms energy: -669.260782
where:
bonds (distance) C4'-P energy: -124.719
bonds (distance) P-C4' energy: -115.246
flat angles C4'-P-C4' energy: -149.979
flat angles P-C4'-P energy: -83.001
tors. eta vs tors. theta energy: -196.316
Dist. restrs. and SS energy: 15.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -2078.873380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.873380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.101659 (E_RNA)
where:
Base-Base interactions energy: -1488.490
where: short stacking energy: -595.600
Base-Backbone interact. energy: -2.449
local terms energy: -606.162754
where:
bonds (distance) C4'-P energy: -110.478
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -146.907
flat angles P-C4'-P energy: -87.552
tors. eta vs tors. theta energy: -155.746
Dist. restrs. and SS energy: 18.228 (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: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1918.604463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.604463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.189691 (E_RNA)
where:
Base-Base interactions energy: -1365.827
where: short stacking energy: -555.862
Base-Backbone interact. energy: 2.306
local terms energy: -588.668989
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -130.534
flat angles C4'-P-C4' energy: -133.298
flat angles P-C4'-P energy: -66.498
tors. eta vs tors. theta energy: -149.303
Dist. restrs. and SS energy: 33.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2783.348898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.348898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.012348 (E_RNA)
where:
Base-Base interactions energy: -1929.512
where: short stacking energy: -847.219
Base-Backbone interact. energy: -5.242
local terms energy: -852.258711
where:
bonds (distance) C4'-P energy: -133.531
bonds (distance) P-C4' energy: -152.527
flat angles C4'-P-C4' energy: -171.729
flat angles P-C4'-P energy: -134.878
tors. eta vs tors. theta energy: -259.594
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: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2596.637751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.637751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.957432 (E_RNA)
where:
Base-Base interactions energy: -1815.260
where: short stacking energy: -749.110
Base-Backbone interact. energy: -2.708
local terms energy: -784.989134
where:
bonds (distance) C4'-P energy: -141.806
bonds (distance) P-C4' energy: -134.591
flat angles C4'-P-C4' energy: -174.643
flat angles P-C4'-P energy: -109.469
tors. eta vs tors. theta energy: -224.480
Dist. restrs. and SS energy: 6.320 (S_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: 128
Temperature: 1.000000
Total energy: -2531.280768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.280768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.717262 (E_RNA)
where:
Base-Base interactions energy: -1797.121
where: short stacking energy: -775.141
Base-Backbone interact. energy: -3.641
local terms energy: -736.955267
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -158.262
flat angles P-C4'-P energy: -106.102
tors. eta vs tors. theta energy: -221.498
Dist. restrs. and SS energy: 6.436 (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: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2482.192321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.192321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.573438 (E_RNA)
where:
Base-Base interactions energy: -1741.135
where: short stacking energy: -734.751
Base-Backbone interact. energy: -0.971
local terms energy: -747.467780
where:
bonds (distance) C4'-P energy: -135.140
bonds (distance) P-C4' energy: -129.441
flat angles C4'-P-C4' energy: -151.592
flat angles P-C4'-P energy: -106.003
tors. eta vs tors. theta energy: -225.292
Dist. restrs. and SS energy: 7.381 (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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2437.706309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.706309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.775105 (E_RNA)
where:
Base-Base interactions energy: -1731.515
where: short stacking energy: -724.936
Base-Backbone interact. energy: 4.383
local terms energy: -716.643250
where:
bonds (distance) C4'-P energy: -126.779
bonds (distance) P-C4' energy: -127.603
flat angles C4'-P-C4' energy: -137.928
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -211.293
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: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2306.670207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.670207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.691225 (E_RNA)
where:
Base-Base interactions energy: -1605.921
where: short stacking energy: -678.256
Base-Backbone interact. energy: -1.272
local terms energy: -712.498685
where:
bonds (distance) C4'-P energy: -133.246
bonds (distance) P-C4' energy: -132.066
flat angles C4'-P-C4' energy: -145.821
flat angles P-C4'-P energy: -99.810
tors. eta vs tors. theta energy: -201.555
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2213.018991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.018991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.827132 (E_RNA)
where:
Base-Base interactions energy: -1536.768
where: short stacking energy: -651.137
Base-Backbone interact. energy: -3.898
local terms energy: -689.160612
where:
bonds (distance) C4'-P energy: -125.370
bonds (distance) P-C4' energy: -132.075
flat angles C4'-P-C4' energy: -149.172
flat angles P-C4'-P energy: -89.177
tors. eta vs tors. theta energy: -193.367
Dist. restrs. and SS energy: 16.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2140.740135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.740135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.964528 (E_RNA)
where:
Base-Base interactions energy: -1528.773
where: short stacking energy: -626.696
Base-Backbone interact. energy: -2.027
local terms energy: -620.164438
where:
bonds (distance) C4'-P energy: -108.418
bonds (distance) P-C4' energy: -97.983
flat angles C4'-P-C4' energy: -145.159
flat angles P-C4'-P energy: -86.999
tors. eta vs tors. theta energy: -181.604
Dist. restrs. and SS energy: 10.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -2077.893153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.893153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.185064 (E_RNA)
where:
Base-Base interactions energy: -1487.331
where: short stacking energy: -608.914
Base-Backbone interact. energy: -2.765
local terms energy: -602.089199
where:
bonds (distance) C4'-P energy: -107.073
bonds (distance) P-C4' energy: -112.848
flat angles C4'-P-C4' energy: -124.512
flat angles P-C4'-P energy: -84.690
tors. eta vs tors. theta energy: -172.966
Dist. restrs. and SS energy: 14.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1911.601303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.601303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.404656 (E_RNA)
where:
Base-Base interactions energy: -1366.684
where: short stacking energy: -554.827
Base-Backbone interact. energy: -2.569
local terms energy: -568.151328
where:
bonds (distance) C4'-P energy: -120.181
bonds (distance) P-C4' energy: -112.798
flat angles C4'-P-C4' energy: -114.663
flat angles P-C4'-P energy: -66.809
tors. eta vs tors. theta energy: -153.700
Dist. restrs. and SS energy: 25.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2791.275798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.275798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.404665 (E_RNA)
where:
Base-Base interactions energy: -1954.739
where: short stacking energy: -851.153
Base-Backbone interact. energy: -2.769
local terms energy: -836.897149
where:
bonds (distance) C4'-P energy: -144.913
bonds (distance) P-C4' energy: -142.907
flat angles C4'-P-C4' energy: -174.271
flat angles P-C4'-P energy: -119.459
tors. eta vs tors. theta energy: -255.348
Dist. restrs. and SS energy: 3.129 (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: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2609.274118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.168374 (E_RNA)
where:
Base-Base interactions energy: -1800.343
where: short stacking energy: -748.315
Base-Backbone interact. energy: -3.161
local terms energy: -812.665066
where:
bonds (distance) C4'-P energy: -149.788
bonds (distance) P-C4' energy: -143.352
flat angles C4'-P-C4' energy: -170.694
flat angles P-C4'-P energy: -118.629
tors. eta vs tors. theta energy: -230.202
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: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2557.939666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.939666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.024596 (E_RNA)
where:
Base-Base interactions energy: -1807.853
where: short stacking energy: -756.210
Base-Backbone interact. energy: 0.795
local terms energy: -757.966600
where:
bonds (distance) C4'-P energy: -143.839
bonds (distance) P-C4' energy: -131.670
flat angles C4'-P-C4' energy: -151.854
flat angles P-C4'-P energy: -113.107
tors. eta vs tors. theta energy: -217.497
Dist. restrs. and SS energy: 7.085 (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: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2486.762038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.762038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.771465 (E_RNA)
where:
Base-Base interactions energy: -1732.251
where: short stacking energy: -732.905
Base-Backbone interact. energy: -2.363
local terms energy: -760.157528
where:
bonds (distance) C4'-P energy: -125.032
bonds (distance) P-C4' energy: -127.807
flat angles C4'-P-C4' energy: -173.714
flat angles P-C4'-P energy: -105.092
tors. eta vs tors. theta energy: -228.513
Dist. restrs. and SS energy: 8.009 (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: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2499.876618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.876618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.450338 (E_RNA)
where:
Base-Base interactions energy: -1754.585
where: short stacking energy: -744.352
Base-Backbone interact. energy: 2.930
local terms energy: -755.795430
where:
bonds (distance) C4'-P energy: -130.908
bonds (distance) P-C4' energy: -136.912
flat angles C4'-P-C4' energy: -161.748
flat angles P-C4'-P energy: -105.883
tors. eta vs tors. theta energy: -220.344
Dist. restrs. and SS energy: 7.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2317.430633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.430633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.677383 (E_RNA)
where:
Base-Base interactions energy: -1639.925
where: short stacking energy: -693.685
Base-Backbone interact. energy: -2.443
local terms energy: -683.308790
where:
bonds (distance) C4'-P energy: -114.607
bonds (distance) P-C4' energy: -135.767
flat angles C4'-P-C4' energy: -150.595
flat angles P-C4'-P energy: -84.057
tors. eta vs tors. theta energy: -198.283
Dist. restrs. and SS energy: 8.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2199.016242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.016242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.335970 (E_RNA)
where:
Base-Base interactions energy: -1549.845
where: short stacking energy: -659.544
Base-Backbone interact. energy: 0.527
local terms energy: -673.018317
where:
bonds (distance) C4'-P energy: -112.408
bonds (distance) P-C4' energy: -136.254
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -94.288
tors. eta vs tors. theta energy: -184.476
Dist. restrs. and SS energy: 23.320 (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: 129
Temperature: 1.250000
Total energy: -2131.498888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.498888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.555847 (E_RNA)
where:
Base-Base interactions energy: -1512.699
where: short stacking energy: -620.642
Base-Backbone interact. energy: -0.691
local terms energy: -633.166289
where:
bonds (distance) C4'-P energy: -114.631
bonds (distance) P-C4' energy: -111.555
flat angles C4'-P-C4' energy: -130.187
flat angles P-C4'-P energy: -99.399
tors. eta vs tors. theta energy: -177.394
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -2127.434729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.434729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.530730 (E_RNA)
where:
Base-Base interactions energy: -1530.087
where: short stacking energy: -638.787
Base-Backbone interact. energy: -2.450
local terms energy: -607.993861
where:
bonds (distance) C4'-P energy: -88.369
bonds (distance) P-C4' energy: -120.557
flat angles C4'-P-C4' energy: -121.843
flat angles P-C4'-P energy: -99.819
tors. eta vs tors. theta energy: -177.406
Dist. restrs. and SS energy: 13.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1957.828619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.828619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.064025 (E_RNA)
where:
Base-Base interactions energy: -1411.487
where: short stacking energy: -594.388
Base-Backbone interact. energy: -4.788
local terms energy: -560.789331
where:
bonds (distance) C4'-P energy: -89.509
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -128.687
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -153.572
Dist. restrs. and SS energy: 19.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2780.840266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.840266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.519291 (E_RNA)
where:
Base-Base interactions energy: -1964.155
where: short stacking energy: -837.390
Base-Backbone interact. energy: -0.364
local terms energy: -819.999789
where:
bonds (distance) C4'-P energy: -134.362
bonds (distance) P-C4' energy: -140.910
flat angles C4'-P-C4' energy: -170.599
flat angles P-C4'-P energy: -116.713
tors. eta vs tors. theta energy: -257.416
Dist. restrs. and SS energy: 3.679 (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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2637.034255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.034255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.125505 (E_RNA)
where:
Base-Base interactions energy: -1838.580
where: short stacking energy: -770.038
Base-Backbone interact. energy: -1.977
local terms energy: -801.568062
where:
bonds (distance) C4'-P energy: -138.532
bonds (distance) P-C4' energy: -145.422
flat angles C4'-P-C4' energy: -170.438
flat angles P-C4'-P energy: -117.324
tors. eta vs tors. theta energy: -229.851
Dist. restrs. and SS energy: 5.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2550.763729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.763729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.949229 (E_RNA)
where:
Base-Base interactions energy: -1809.229
where: short stacking energy: -773.020
Base-Backbone interact. energy: -3.615
local terms energy: -745.105541
where:
bonds (distance) C4'-P energy: -129.289
bonds (distance) P-C4' energy: -128.352
flat angles C4'-P-C4' energy: -160.371
flat angles P-C4'-P energy: -102.012
tors. eta vs tors. theta energy: -225.081
Dist. restrs. and SS energy: 7.185 (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: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2444.037648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.037648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.322180 (E_RNA)
where:
Base-Base interactions energy: -1723.188
where: short stacking energy: -731.995
Base-Backbone interact. energy: -2.497
local terms energy: -726.636556
where:
bonds (distance) C4'-P energy: -135.164
bonds (distance) P-C4' energy: -134.019
flat angles C4'-P-C4' energy: -145.373
flat angles P-C4'-P energy: -117.769
tors. eta vs tors. theta energy: -194.311
Dist. restrs. and SS energy: 8.285 (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: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2446.300645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.300645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.890331 (E_RNA)
where:
Base-Base interactions energy: -1697.655
where: short stacking energy: -715.422
Base-Backbone interact. energy: -5.720
local terms energy: -758.514541
where:
bonds (distance) C4'-P energy: -128.252
bonds (distance) P-C4' energy: -133.239
flat angles C4'-P-C4' energy: -166.428
flat angles P-C4'-P energy: -111.775
tors. eta vs tors. theta energy: -218.821
Dist. restrs. and SS energy: 15.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2301.206230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.206230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.478398 (E_RNA)
where:
Base-Base interactions energy: -1618.319
where: short stacking energy: -709.976
Base-Backbone interact. energy: -1.388
local terms energy: -697.771086
where:
bonds (distance) C4'-P energy: -126.649
bonds (distance) P-C4' energy: -121.912
flat angles C4'-P-C4' energy: -137.266
flat angles P-C4'-P energy: -101.977
tors. eta vs tors. theta energy: -209.968
Dist. restrs. and SS energy: 16.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2203.557894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.557894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.222208 (E_RNA)
where:
Base-Base interactions energy: -1553.043
where: short stacking energy: -646.450
Base-Backbone interact. energy: -2.987
local terms energy: -667.191640
where:
bonds (distance) C4'-P energy: -124.309
bonds (distance) P-C4' energy: -119.978
flat angles C4'-P-C4' energy: -143.473
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -192.454
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: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2137.429480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.429480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.626736 (E_RNA)
where:
Base-Base interactions energy: -1532.043
where: short stacking energy: -622.692
Base-Backbone interact. energy: -0.291
local terms energy: -618.293004
where:
bonds (distance) C4'-P energy: -104.260
bonds (distance) P-C4' energy: -123.180
flat angles C4'-P-C4' energy: -128.782
flat angles P-C4'-P energy: -79.305
tors. eta vs tors. theta energy: -182.766
Dist. restrs. and SS energy: 13.197 (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: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -2135.338021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.338021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.471081 (E_RNA)
where:
Base-Base interactions energy: -1518.440
where: short stacking energy: -634.159
Base-Backbone interact. energy: -1.597
local terms energy: -624.433975
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -109.395
flat angles C4'-P-C4' energy: -128.969
flat angles P-C4'-P energy: -88.630
tors. eta vs tors. theta energy: -189.281
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: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1930.579837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.681252 (E_RNA)
where:
Base-Base interactions energy: -1369.668
where: short stacking energy: -580.074
Base-Backbone interact. energy: -4.026
local terms energy: -587.986832
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -103.600
flat angles C4'-P-C4' energy: -136.310
flat angles P-C4'-P energy: -91.738
tors. eta vs tors. theta energy: -151.550
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: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2801.954108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.954108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.486005 (E_RNA)
where:
Base-Base interactions energy: -1941.098
where: short stacking energy: -846.184
Base-Backbone interact. energy: -2.920
local terms energy: -861.468091
where:
bonds (distance) C4'-P energy: -156.765
bonds (distance) P-C4' energy: -158.585
flat angles C4'-P-C4' energy: -159.857
flat angles P-C4'-P energy: -125.421
tors. eta vs tors. theta energy: -260.841
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: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2618.513802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.513802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.840583 (E_RNA)
where:
Base-Base interactions energy: -1831.670
where: short stacking energy: -785.336
Base-Backbone interact. energy: -2.211
local terms energy: -788.959758
where:
bonds (distance) C4'-P energy: -150.566
bonds (distance) P-C4' energy: -143.214
flat angles C4'-P-C4' energy: -155.907
flat angles P-C4'-P energy: -93.840
tors. eta vs tors. theta energy: -245.433
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2596.637888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.637888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.286349 (E_RNA)
where:
Base-Base interactions energy: -1827.467
where: short stacking energy: -771.009
Base-Backbone interact. energy: -3.104
local terms energy: -773.714908
where:
bonds (distance) C4'-P energy: -136.472
bonds (distance) P-C4' energy: -137.398
flat angles C4'-P-C4' energy: -157.034
flat angles P-C4'-P energy: -106.612
tors. eta vs tors. theta energy: -236.199
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2479.778505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.778505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.673860 (E_RNA)
where:
Base-Base interactions energy: -1753.502
where: short stacking energy: -733.476
Base-Backbone interact. energy: -0.485
local terms energy: -735.687679
where:
bonds (distance) C4'-P energy: -131.023
bonds (distance) P-C4' energy: -131.222
flat angles C4'-P-C4' energy: -150.939
flat angles P-C4'-P energy: -104.928
tors. eta vs tors. theta energy: -217.577
Dist. restrs. and SS energy: 9.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2411.848293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.848293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.919683 (E_RNA)
where:
Base-Base interactions energy: -1685.471
where: short stacking energy: -719.462
Base-Backbone interact. energy: 4.979
local terms energy: -742.427498
where:
bonds (distance) C4'-P energy: -136.110
bonds (distance) P-C4' energy: -127.938
flat angles C4'-P-C4' energy: -152.161
flat angles P-C4'-P energy: -101.176
tors. eta vs tors. theta energy: -225.041
Dist. restrs. and SS energy: 11.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2319.728641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.728641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.970711 (E_RNA)
where:
Base-Base interactions energy: -1635.072
where: short stacking energy: -708.377
Base-Backbone interact. energy: -2.225
local terms energy: -697.673414
where:
bonds (distance) C4'-P energy: -124.822
bonds (distance) P-C4' energy: -133.297
flat angles C4'-P-C4' energy: -150.727
flat angles P-C4'-P energy: -92.756
tors. eta vs tors. theta energy: -196.072
Dist. restrs. and SS energy: 15.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2162.407933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.407933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.081262 (E_RNA)
where:
Base-Base interactions energy: -1550.905
where: short stacking energy: -639.166
Base-Backbone interact. energy: -1.153
local terms energy: -623.023276
where:
bonds (distance) C4'-P energy: -106.421
bonds (distance) P-C4' energy: -103.981
flat angles C4'-P-C4' energy: -148.936
flat angles P-C4'-P energy: -86.986
tors. eta vs tors. theta energy: -176.700
Dist. restrs. and SS energy: 12.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2150.793243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.793243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.833004 (E_RNA)
where:
Base-Base interactions energy: -1527.537
where: short stacking energy: -623.005
Base-Backbone interact. energy: -2.450
local terms energy: -634.845348
where:
bonds (distance) C4'-P energy: -94.851
bonds (distance) P-C4' energy: -121.915
flat angles C4'-P-C4' energy: -147.588
flat angles P-C4'-P energy: -89.117
tors. eta vs tors. theta energy: -181.374
Dist. restrs. and SS energy: 14.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1994.049852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.049852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.226792 (E_RNA)
where:
Base-Base interactions energy: -1394.792
where: short stacking energy: -571.421
Base-Backbone interact. energy: -0.193
local terms energy: -618.241678
where:
bonds (distance) C4'-P energy: -132.850
bonds (distance) P-C4' energy: -125.499
flat angles C4'-P-C4' energy: -128.264
flat angles P-C4'-P energy: -74.748
tors. eta vs tors. theta energy: -156.881
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: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1912.717668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.717668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.095657 (E_RNA)
where:
Base-Base interactions energy: -1353.315
where: short stacking energy: -556.522
Base-Backbone interact. energy: -2.378
local terms energy: -576.402721
where:
bonds (distance) C4'-P energy: -88.476
bonds (distance) P-C4' energy: -100.698
flat angles C4'-P-C4' energy: -132.652
flat angles P-C4'-P energy: -105.703
tors. eta vs tors. theta energy: -148.873
Dist. restrs. and SS energy: 19.378 (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: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2800.488407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.488407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.898899 (E_RNA)
where:
Base-Base interactions energy: -1944.699
where: short stacking energy: -847.046
Base-Backbone interact. energy: -4.461
local terms energy: -855.738831
where:
bonds (distance) C4'-P energy: -145.053
bonds (distance) P-C4' energy: -155.450
flat angles C4'-P-C4' energy: -171.222
flat angles P-C4'-P energy: -129.946
tors. eta vs tors. theta energy: -254.068
Dist. restrs. and SS energy: 4.410 (S_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: 132
Temperature: 0.950000
Total energy: -2633.341665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.341665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.101745 (E_RNA)
where:
Base-Base interactions energy: -1813.370
where: short stacking energy: -755.611
Base-Backbone interact. energy: -3.582
local terms energy: -822.150405
where:
bonds (distance) C4'-P energy: -139.064
bonds (distance) P-C4' energy: -148.286
flat angles C4'-P-C4' energy: -179.925
flat angles P-C4'-P energy: -125.010
tors. eta vs tors. theta energy: -229.866
Dist. restrs. and SS energy: 5.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2572.605010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.605010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.932150 (E_RNA)
where:
Base-Base interactions energy: -1791.441
where: short stacking energy: -766.738
Base-Backbone interact. energy: 1.435
local terms energy: -786.926953
where:
bonds (distance) C4'-P energy: -151.556
bonds (distance) P-C4' energy: -126.633
flat angles C4'-P-C4' energy: -176.410
flat angles P-C4'-P energy: -105.770
tors. eta vs tors. theta energy: -226.558
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2468.602288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.602288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.122502 (E_RNA)
where:
Base-Base interactions energy: -1729.844
where: short stacking energy: -734.277
Base-Backbone interact. energy: 0.451
local terms energy: -747.729834
where:
bonds (distance) C4'-P energy: -132.028
bonds (distance) P-C4' energy: -133.202
flat angles C4'-P-C4' energy: -165.797
flat angles P-C4'-P energy: -107.610
tors. eta vs tors. theta energy: -209.093
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2468.694483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.694483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.260267 (E_RNA)
where:
Base-Base interactions energy: -1719.819
where: short stacking energy: -735.903
Base-Backbone interact. energy: -3.403
local terms energy: -752.038333
where:
bonds (distance) C4'-P energy: -139.665
bonds (distance) P-C4' energy: -131.372
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -111.906
tors. eta vs tors. theta energy: -219.655
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: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2329.574953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.574953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.450133 (E_RNA)
where:
Base-Base interactions energy: -1634.683
where: short stacking energy: -697.886
Base-Backbone interact. energy: 2.000
local terms energy: -713.767777
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -133.843
flat angles C4'-P-C4' energy: -146.887
flat angles P-C4'-P energy: -90.235
tors. eta vs tors. theta energy: -220.730
Dist. restrs. and SS energy: 16.875 (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: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2160.356756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.356756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.980333 (E_RNA)
where:
Base-Base interactions energy: -1508.660
where: short stacking energy: -634.009
Base-Backbone interact. energy: -1.791
local terms energy: -663.529010
where:
bonds (distance) C4'-P energy: -117.250
bonds (distance) P-C4' energy: -135.226
flat angles C4'-P-C4' energy: -140.913
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -187.388
Dist. restrs. and SS energy: 13.624 (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: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2129.118643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.118643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.317987 (E_RNA)
where:
Base-Base interactions energy: -1478.605
where: short stacking energy: -612.404
Base-Backbone interact. energy: 1.533
local terms energy: -667.245722
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -130.604
flat angles C4'-P-C4' energy: -151.394
flat angles P-C4'-P energy: -98.485
tors. eta vs tors. theta energy: -186.952
Dist. restrs. and SS energy: 15.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -2039.786346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.786346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.409825 (E_RNA)
where:
Base-Base interactions energy: -1418.818
where: short stacking energy: -601.220
Base-Backbone interact. energy: -1.820
local terms energy: -630.772169
where:
bonds (distance) C4'-P energy: -122.135
bonds (distance) P-C4' energy: -121.488
flat angles C4'-P-C4' energy: -134.087
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -178.378
Dist. restrs. and SS energy: 11.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1938.159140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.159140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.302836 (E_RNA)
where:
Base-Base interactions energy: -1383.740
where: short stacking energy: -529.066
Base-Backbone interact. energy: -4.544
local terms energy: -557.019070
where:
bonds (distance) C4'-P energy: -115.229
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -130.314
flat angles P-C4'-P energy: -66.302
tors. eta vs tors. theta energy: -125.305
Dist. restrs. and SS energy: 7.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2806.382564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.382564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.303597 (E_RNA)
where:
Base-Base interactions energy: -1979.646
where: short stacking energy: -854.299
Base-Backbone interact. energy: -3.999
local terms energy: -828.657957
where:
bonds (distance) C4'-P energy: -146.689
bonds (distance) P-C4' energy: -148.534
flat angles C4'-P-C4' energy: -171.715
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -256.287
Dist. restrs. and SS energy: 5.921 (S_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: 133
Temperature: 0.950000
Total energy: -2647.433945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.433945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.327825 (E_RNA)
where:
Base-Base interactions energy: -1852.426
where: short stacking energy: -774.157
Base-Backbone interact. energy: -4.094
local terms energy: -797.807766
where:
bonds (distance) C4'-P energy: -131.758
bonds (distance) P-C4' energy: -142.146
flat angles C4'-P-C4' energy: -167.433
flat angles P-C4'-P energy: -120.293
tors. eta vs tors. theta energy: -236.178
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: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2572.633304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.250482 (E_RNA)
where:
Base-Base interactions energy: -1768.550
where: short stacking energy: -792.252
Base-Backbone interact. energy: -2.228
local terms energy: -810.472257
where:
bonds (distance) C4'-P energy: -144.626
bonds (distance) P-C4' energy: -143.494
flat angles C4'-P-C4' energy: -161.838
flat angles P-C4'-P energy: -124.026
tors. eta vs tors. theta energy: -236.487
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: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2484.556092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.556092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.342010 (E_RNA)
where:
Base-Base interactions energy: -1747.391
where: short stacking energy: -724.021
Base-Backbone interact. energy: -4.291
local terms energy: -742.659610
where:
bonds (distance) C4'-P energy: -130.518
bonds (distance) P-C4' energy: -135.194
flat angles C4'-P-C4' energy: -159.448
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -210.634
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: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2416.353520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.353520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.455864 (E_RNA)
where:
Base-Base interactions energy: -1683.656
where: short stacking energy: -761.084
Base-Backbone interact. energy: -0.905
local terms energy: -737.895449
where:
bonds (distance) C4'-P energy: -127.310
bonds (distance) P-C4' energy: -127.731
flat angles C4'-P-C4' energy: -156.929
flat angles P-C4'-P energy: -99.686
tors. eta vs tors. theta energy: -226.240
Dist. restrs. and SS energy: 6.102 (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: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2290.581594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.581594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.935517 (E_RNA)
where:
Base-Base interactions energy: -1629.560
where: short stacking energy: -697.847
Base-Backbone interact. energy: -0.359
local terms energy: -676.016605
where:
bonds (distance) C4'-P energy: -117.472
bonds (distance) P-C4' energy: -114.718
flat angles C4'-P-C4' energy: -157.200
flat angles P-C4'-P energy: -79.061
tors. eta vs tors. theta energy: -207.566
Dist. restrs. and SS energy: 15.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2213.181143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.181143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.931070 (E_RNA)
where:
Base-Base interactions energy: -1554.207
where: short stacking energy: -633.059
Base-Backbone interact. energy: 0.511
local terms energy: -668.235475
where:
bonds (distance) C4'-P energy: -123.633
bonds (distance) P-C4' energy: -121.879
flat angles C4'-P-C4' energy: -153.377
flat angles P-C4'-P energy: -107.586
tors. eta vs tors. theta energy: -161.760
Dist. restrs. and SS energy: 8.750 (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: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2095.245751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.245751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.023281 (E_RNA)
where:
Base-Base interactions energy: -1454.129
where: short stacking energy: -603.319
Base-Backbone interact. energy: -2.202
local terms energy: -658.692170
where:
bonds (distance) C4'-P energy: -111.630
bonds (distance) P-C4' energy: -129.573
flat angles C4'-P-C4' energy: -155.255
flat angles P-C4'-P energy: -92.752
tors. eta vs tors. theta energy: -169.482
Dist. restrs. and SS energy: 19.778 (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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1972.918262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.918262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.478524 (E_RNA)
where:
Base-Base interactions energy: -1390.166
where: short stacking energy: -583.619
Base-Backbone interact. energy: 3.569
local terms energy: -605.881792
where:
bonds (distance) C4'-P energy: -103.226
bonds (distance) P-C4' energy: -117.016
flat angles C4'-P-C4' energy: -128.228
flat angles P-C4'-P energy: -94.811
tors. eta vs tors. theta energy: -162.601
Dist. restrs. and SS energy: 19.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1968.808181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.808181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.148437 (E_RNA)
where:
Base-Base interactions energy: -1400.273
where: short stacking energy: -576.844
Base-Backbone interact. energy: -1.907
local terms energy: -585.968524
where:
bonds (distance) C4'-P energy: -109.915
bonds (distance) P-C4' energy: -98.363
flat angles C4'-P-C4' energy: -147.045
flat angles P-C4'-P energy: -71.351
tors. eta vs tors. theta energy: -159.295
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: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2783.356135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.356135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.506866 (E_RNA)
where:
Base-Base interactions energy: -1957.875
where: short stacking energy: -845.961
Base-Backbone interact. energy: -1.937
local terms energy: -826.694482
where:
bonds (distance) C4'-P energy: -127.317
bonds (distance) P-C4' energy: -163.337
flat angles C4'-P-C4' energy: -178.544
flat angles P-C4'-P energy: -106.221
tors. eta vs tors. theta energy: -251.275
Dist. restrs. and SS energy: 3.151 (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: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2656.548639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.548639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.824304 (E_RNA)
where:
Base-Base interactions energy: -1876.443
where: short stacking energy: -772.429
Base-Backbone interact. energy: -2.020
local terms energy: -784.361184
where:
bonds (distance) C4'-P energy: -141.045
bonds (distance) P-C4' energy: -140.980
flat angles C4'-P-C4' energy: -158.376
flat angles P-C4'-P energy: -121.847
tors. eta vs tors. theta energy: -222.112
Dist. restrs. and SS energy: 6.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2575.296144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.296144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.408055 (E_RNA)
where:
Base-Base interactions energy: -1811.555
where: short stacking energy: -767.756
Base-Backbone interact. energy: -4.068
local terms energy: -767.784543
where:
bonds (distance) C4'-P energy: -130.470
bonds (distance) P-C4' energy: -137.702
flat angles C4'-P-C4' energy: -170.042
flat angles P-C4'-P energy: -96.390
tors. eta vs tors. theta energy: -233.180
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: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2459.718113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.718113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.527095 (E_RNA)
where:
Base-Base interactions energy: -1725.233
where: short stacking energy: -736.070
Base-Backbone interact. energy: -4.194
local terms energy: -744.100200
where:
bonds (distance) C4'-P energy: -135.090
bonds (distance) P-C4' energy: -139.519
flat angles C4'-P-C4' energy: -156.046
flat angles P-C4'-P energy: -94.385
tors. eta vs tors. theta energy: -219.060
Dist. restrs. and SS energy: 13.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2463.421710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.421710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.363816 (E_RNA)
where:
Base-Base interactions energy: -1714.613
where: short stacking energy: -755.335
Base-Backbone interact. energy: 0.757
local terms energy: -757.508048
where:
bonds (distance) C4'-P energy: -136.316
bonds (distance) P-C4' energy: -132.104
flat angles C4'-P-C4' energy: -163.660
flat angles P-C4'-P energy: -106.609
tors. eta vs tors. theta energy: -218.819
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: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2277.862305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.862305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.472564 (E_RNA)
where:
Base-Base interactions energy: -1564.149
where: short stacking energy: -655.113
Base-Backbone interact. energy: -2.585
local terms energy: -719.738720
where:
bonds (distance) C4'-P energy: -130.335
bonds (distance) P-C4' energy: -128.907
flat angles C4'-P-C4' energy: -155.634
flat angles P-C4'-P energy: -100.384
tors. eta vs tors. theta energy: -204.479
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2242.823120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.823120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.193328 (E_RNA)
where:
Base-Base interactions energy: -1603.726
where: short stacking energy: -655.404
Base-Backbone interact. energy: -1.515
local terms energy: -649.952860
where:
bonds (distance) C4'-P energy: -107.095
bonds (distance) P-C4' energy: -134.398
flat angles C4'-P-C4' energy: -133.606
flat angles P-C4'-P energy: -94.247
tors. eta vs tors. theta energy: -180.607
Dist. restrs. and SS energy: 12.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2119.996197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.996197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.008777 (E_RNA)
where:
Base-Base interactions energy: -1509.866
where: short stacking energy: -620.502
Base-Backbone interact. energy: 0.143
local terms energy: -626.286154
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -125.314
flat angles C4'-P-C4' energy: -145.850
flat angles P-C4'-P energy: -84.777
tors. eta vs tors. theta energy: -164.662
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: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -2013.502720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.502720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.974666 (E_RNA)
where:
Base-Base interactions energy: -1405.848
where: short stacking energy: -584.577
Base-Backbone interact. energy: -4.141
local terms energy: -623.985801
where:
bonds (distance) C4'-P energy: -106.311
bonds (distance) P-C4' energy: -138.591
flat angles C4'-P-C4' energy: -139.217
flat angles P-C4'-P energy: -87.584
tors. eta vs tors. theta energy: -152.282
Dist. restrs. and SS energy: 20.472 (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: 134
Temperature: 1.350000
Total energy: -1878.932137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.932137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.472964 (E_RNA)
where:
Base-Base interactions energy: -1332.633
where: short stacking energy: -541.032
Base-Backbone interact. energy: 0.368
local terms energy: -570.207829
where:
bonds (distance) C4'-P energy: -78.042
bonds (distance) P-C4' energy: -127.599
flat angles C4'-P-C4' energy: -126.067
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -159.169
Dist. restrs. and SS energy: 23.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2778.753812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.753812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.806578 (E_RNA)
where:
Base-Base interactions energy: -1945.400
where: short stacking energy: -856.285
Base-Backbone interact. energy: -3.115
local terms energy: -833.291654
where:
bonds (distance) C4'-P energy: -153.825
bonds (distance) P-C4' energy: -125.579
flat angles C4'-P-C4' energy: -175.751
flat angles P-C4'-P energy: -115.823
tors. eta vs tors. theta energy: -262.314
Dist. restrs. and SS energy: 3.053 (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: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2623.013197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.013197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.350162 (E_RNA)
where:
Base-Base interactions energy: -1869.410
where: short stacking energy: -764.757
Base-Backbone interact. energy: -2.392
local terms energy: -760.548106
where:
bonds (distance) C4'-P energy: -129.508
bonds (distance) P-C4' energy: -138.728
flat angles C4'-P-C4' energy: -164.687
flat angles P-C4'-P energy: -102.218
tors. eta vs tors. theta energy: -225.406
Dist. restrs. and SS energy: 9.337 (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: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2572.482341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.482341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.795805 (E_RNA)
where:
Base-Base interactions energy: -1794.530
where: short stacking energy: -773.699
Base-Backbone interact. energy: -2.237
local terms energy: -784.028513
where:
bonds (distance) C4'-P energy: -141.008
bonds (distance) P-C4' energy: -137.724
flat angles C4'-P-C4' energy: -166.367
flat angles P-C4'-P energy: -104.033
tors. eta vs tors. theta energy: -234.896
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: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2487.402521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.402521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.321603 (E_RNA)
where:
Base-Base interactions energy: -1748.928
where: short stacking energy: -726.063
Base-Backbone interact. energy: -1.206
local terms energy: -751.187692
where:
bonds (distance) C4'-P energy: -123.552
bonds (distance) P-C4' energy: -137.461
flat angles C4'-P-C4' energy: -151.972
flat angles P-C4'-P energy: -122.342
tors. eta vs tors. theta energy: -215.861
Dist. restrs. and SS energy: 13.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2406.493435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.493435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.745594 (E_RNA)
where:
Base-Base interactions energy: -1672.143
where: short stacking energy: -707.159
Base-Backbone interact. energy: -2.025
local terms energy: -739.577520
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -153.359
flat angles C4'-P-C4' energy: -145.321
flat angles P-C4'-P energy: -93.952
tors. eta vs tors. theta energy: -211.402
Dist. restrs. and SS energy: 7.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2299.057454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.057454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.163884 (E_RNA)
where:
Base-Base interactions energy: -1621.530
where: short stacking energy: -686.761
Base-Backbone interact. energy: -0.826
local terms energy: -692.807439
where:
bonds (distance) C4'-P energy: -119.058
bonds (distance) P-C4' energy: -110.325
flat angles C4'-P-C4' energy: -163.427
flat angles P-C4'-P energy: -97.475
tors. eta vs tors. theta energy: -202.522
Dist. restrs. and SS energy: 16.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2181.010056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.010056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.768776 (E_RNA)
where:
Base-Base interactions energy: -1521.620
where: short stacking energy: -629.433
Base-Backbone interact. energy: -1.235
local terms energy: -672.914152
where:
bonds (distance) C4'-P energy: -120.032
bonds (distance) P-C4' energy: -127.936
flat angles C4'-P-C4' energy: -143.448
flat angles P-C4'-P energy: -84.667
tors. eta vs tors. theta energy: -196.832
Dist. restrs. and SS energy: 14.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2111.536514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.536514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.550065 (E_RNA)
where:
Base-Base interactions energy: -1522.048
where: short stacking energy: -642.609
Base-Backbone interact. energy: -0.805
local terms energy: -614.697285
where:
bonds (distance) C4'-P energy: -93.763
bonds (distance) P-C4' energy: -122.799
flat angles C4'-P-C4' energy: -128.853
flat angles P-C4'-P energy: -93.544
tors. eta vs tors. theta energy: -175.738
Dist. restrs. and SS energy: 26.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1982.933617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.933617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.278827 (E_RNA)
where:
Base-Base interactions energy: -1412.422
where: short stacking energy: -576.075
Base-Backbone interact. energy: -2.176
local terms energy: -592.680696
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -111.654
flat angles C4'-P-C4' energy: -137.485
flat angles P-C4'-P energy: -74.745
tors. eta vs tors. theta energy: -156.841
Dist. restrs. and SS energy: 24.345 (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: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1909.331119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.331119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.424723 (E_RNA)
where:
Base-Base interactions energy: -1356.876
where: short stacking energy: -564.861
Base-Backbone interact. energy: -4.597
local terms energy: -568.952093
where:
bonds (distance) C4'-P energy: -116.554
bonds (distance) P-C4' energy: -125.617
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -68.525
tors. eta vs tors. theta energy: -148.257
Dist. restrs. and SS energy: 21.094 (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: 136
Temperature: 0.900000
Total energy: -2798.681806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.681806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.436702 (E_RNA)
where:
Base-Base interactions energy: -1950.925
where: short stacking energy: -847.660
Base-Backbone interact. energy: -4.024
local terms energy: -846.487398
where:
bonds (distance) C4'-P energy: -142.060
bonds (distance) P-C4' energy: -147.392
flat angles C4'-P-C4' energy: -175.791
flat angles P-C4'-P energy: -118.398
tors. eta vs tors. theta energy: -262.847
Dist. restrs. and SS energy: 2.755 (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: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2628.825550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.825550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.198699 (E_RNA)
where:
Base-Base interactions energy: -1858.157
where: short stacking energy: -771.843
Base-Backbone interact. energy: -2.370
local terms energy: -777.671031
where:
bonds (distance) C4'-P energy: -120.953
bonds (distance) P-C4' energy: -136.558
flat angles C4'-P-C4' energy: -166.013
flat angles P-C4'-P energy: -113.622
tors. eta vs tors. theta energy: -240.526
Dist. restrs. and SS energy: 9.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2551.635366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.635366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.383432 (E_RNA)
where:
Base-Base interactions energy: -1774.413
where: short stacking energy: -731.734
Base-Backbone interact. energy: 0.786
local terms energy: -782.756896
where:
bonds (distance) C4'-P energy: -134.887
bonds (distance) P-C4' energy: -134.967
flat angles C4'-P-C4' energy: -166.308
flat angles P-C4'-P energy: -113.483
tors. eta vs tors. theta energy: -233.112
Dist. restrs. and SS energy: 4.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2518.754122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.754122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.172143 (E_RNA)
where:
Base-Base interactions energy: -1754.265
where: short stacking energy: -743.637
Base-Backbone interact. energy: -4.486
local terms energy: -766.421274
where:
bonds (distance) C4'-P energy: -125.805
bonds (distance) P-C4' energy: -154.836
flat angles C4'-P-C4' energy: -155.917
flat angles P-C4'-P energy: -100.162
tors. eta vs tors. theta energy: -229.701
Dist. restrs. and SS energy: 6.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2432.827017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.827017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.819315 (E_RNA)
where:
Base-Base interactions energy: -1726.282
where: short stacking energy: -725.256
Base-Backbone interact. energy: -0.555
local terms energy: -712.982159
where:
bonds (distance) C4'-P energy: -119.413
bonds (distance) P-C4' energy: -122.860
flat angles C4'-P-C4' energy: -158.291
flat angles P-C4'-P energy: -97.140
tors. eta vs tors. theta energy: -215.278
Dist. restrs. and SS energy: 6.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2294.895172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.895172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.738834 (E_RNA)
where:
Base-Base interactions energy: -1594.465
where: short stacking energy: -679.790
Base-Backbone interact. energy: -3.624
local terms energy: -703.649774
where:
bonds (distance) C4'-P energy: -128.053
bonds (distance) P-C4' energy: -138.709
flat angles C4'-P-C4' energy: -145.879
flat angles P-C4'-P energy: -86.666
tors. eta vs tors. theta energy: -204.343
Dist. restrs. and SS energy: 6.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2224.802307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.802307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.084754 (E_RNA)
where:
Base-Base interactions energy: -1566.941
where: short stacking energy: -631.894
Base-Backbone interact. energy: -5.467
local terms energy: -667.676241
where:
bonds (distance) C4'-P energy: -119.585
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -121.301
flat angles P-C4'-P energy: -102.517
tors. eta vs tors. theta energy: -196.521
Dist. restrs. and SS energy: 15.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2149.380487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.380487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.256451 (E_RNA)
where:
Base-Base interactions energy: -1500.565
where: short stacking energy: -636.271
Base-Backbone interact. energy: 1.844
local terms energy: -668.535514
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -129.026
flat angles C4'-P-C4' energy: -139.142
flat angles P-C4'-P energy: -97.924
tors. eta vs tors. theta energy: -180.859
Dist. restrs. and SS energy: 17.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1940.726247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.726247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.144887 (E_RNA)
where:
Base-Base interactions energy: -1382.863
where: short stacking energy: -559.402
Base-Backbone interact. energy: -2.334
local terms energy: -579.947515
where:
bonds (distance) C4'-P energy: -107.126
bonds (distance) P-C4' energy: -109.136
flat angles C4'-P-C4' energy: -130.692
flat angles P-C4'-P energy: -79.213
tors. eta vs tors. theta energy: -153.779
Dist. restrs. and SS energy: 24.419 (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: 136
Temperature: 1.350000
Total energy: -1791.694526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.694526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.307014 (E_RNA)
where:
Base-Base interactions energy: -1275.985
where: short stacking energy: -524.216
Base-Backbone interact. energy: 0.813
local terms energy: -542.134749
where:
bonds (distance) C4'-P energy: -110.248
bonds (distance) P-C4' energy: -107.694
flat angles C4'-P-C4' energy: -118.897
flat angles P-C4'-P energy: -63.331
tors. eta vs tors. theta energy: -141.965
Dist. restrs. and SS energy: 25.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2778.240779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.240779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.688435 (E_RNA)
where:
Base-Base interactions energy: -1953.379
where: short stacking energy: -853.329
Base-Backbone interact. energy: -2.546
local terms energy: -826.763646
where:
bonds (distance) C4'-P energy: -142.161
bonds (distance) P-C4' energy: -132.737
flat angles C4'-P-C4' energy: -172.304
flat angles P-C4'-P energy: -122.729
tors. eta vs tors. theta energy: -256.833
Dist. restrs. and SS energy: 4.448 (S_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: 137
Temperature: 0.950000
Total energy: -2624.884050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.884050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.573969 (E_RNA)
where:
Base-Base interactions energy: -1857.542
where: short stacking energy: -796.369
Base-Backbone interact. energy: -2.485
local terms energy: -769.547541
where:
bonds (distance) C4'-P energy: -129.365
bonds (distance) P-C4' energy: -151.710
flat angles C4'-P-C4' energy: -151.057
flat angles P-C4'-P energy: -106.719
tors. eta vs tors. theta energy: -230.696
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2549.674793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.674793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.885152 (E_RNA)
where:
Base-Base interactions energy: -1786.985
where: short stacking energy: -735.869
Base-Backbone interact. energy: -4.361
local terms energy: -763.539607
where:
bonds (distance) C4'-P energy: -136.875
bonds (distance) P-C4' energy: -138.913
flat angles C4'-P-C4' energy: -165.538
flat angles P-C4'-P energy: -98.952
tors. eta vs tors. theta energy: -223.262
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2487.787343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.787343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.989631 (E_RNA)
where:
Base-Base interactions energy: -1754.469
where: short stacking energy: -755.339
Base-Backbone interact. energy: -3.838
local terms energy: -739.682467
where:
bonds (distance) C4'-P energy: -136.719
bonds (distance) P-C4' energy: -124.840
flat angles C4'-P-C4' energy: -152.018
flat angles P-C4'-P energy: -103.708
tors. eta vs tors. theta energy: -222.398
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: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2448.972032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.972032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.394140 (E_RNA)
where:
Base-Base interactions energy: -1734.633
where: short stacking energy: -733.672
Base-Backbone interact. energy: 2.169
local terms energy: -725.930128
where:
bonds (distance) C4'-P energy: -128.411
bonds (distance) P-C4' energy: -124.240
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -90.760
tors. eta vs tors. theta energy: -219.742
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: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2307.358426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.358426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.015957 (E_RNA)
where:
Base-Base interactions energy: -1632.499
where: short stacking energy: -674.314
Base-Backbone interact. energy: -2.434
local terms energy: -684.082940
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -126.370
flat angles C4'-P-C4' energy: -143.212
flat angles P-C4'-P energy: -103.146
tors. eta vs tors. theta energy: -196.777
Dist. restrs. and SS energy: 11.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2209.564629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.564629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.264909 (E_RNA)
where:
Base-Base interactions energy: -1548.425
where: short stacking energy: -644.380
Base-Backbone interact. energy: -2.891
local terms energy: -671.949524
where:
bonds (distance) C4'-P energy: -129.168
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -149.625
flat angles P-C4'-P energy: -85.028
tors. eta vs tors. theta energy: -194.068
Dist. restrs. and SS energy: 13.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2126.073489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.073489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.546992 (E_RNA)
where:
Base-Base interactions energy: -1536.971
where: short stacking energy: -631.427
Base-Backbone interact. energy: -3.436
local terms energy: -605.140236
where:
bonds (distance) C4'-P energy: -109.187
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -137.487
flat angles P-C4'-P energy: -83.716
tors. eta vs tors. theta energy: -175.620
Dist. restrs. and SS energy: 19.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1984.911989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.911989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.180807 (E_RNA)
where:
Base-Base interactions energy: -1404.742
where: short stacking energy: -582.367
Base-Backbone interact. energy: -2.169
local terms energy: -601.270384
where:
bonds (distance) C4'-P energy: -117.210
bonds (distance) P-C4' energy: -103.312
flat angles C4'-P-C4' energy: -134.719
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -161.300
Dist. restrs. and SS energy: 23.269 (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: 137
Temperature: 1.350000
Total energy: -1740.832756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.832756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.803525 (E_RNA)
where:
Base-Base interactions energy: -1238.388
where: short stacking energy: -519.403
Base-Backbone interact. energy: -0.434
local terms energy: -532.981953
where:
bonds (distance) C4'-P energy: -101.757
bonds (distance) P-C4' energy: -116.951
flat angles C4'-P-C4' energy: -120.430
flat angles P-C4'-P energy: -62.843
tors. eta vs tors. theta energy: -131.001
Dist. restrs. and SS energy: 30.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2783.567056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.567056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.425662 (E_RNA)
where:
Base-Base interactions energy: -1932.149
where: short stacking energy: -844.130
Base-Backbone interact. energy: -4.001
local terms energy: -852.275614
where:
bonds (distance) C4'-P energy: -140.484
bonds (distance) P-C4' energy: -154.589
flat angles C4'-P-C4' energy: -178.872
flat angles P-C4'-P energy: -115.564
tors. eta vs tors. theta energy: -262.766
Dist. restrs. and SS energy: 4.859 (S_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: 138
Temperature: 0.950000
Total energy: -2615.346051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.346051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.547552 (E_RNA)
where:
Base-Base interactions energy: -1851.514
where: short stacking energy: -766.982
Base-Backbone interact. energy: -4.480
local terms energy: -766.554210
where:
bonds (distance) C4'-P energy: -140.562
bonds (distance) P-C4' energy: -133.725
flat angles C4'-P-C4' energy: -153.134
flat angles P-C4'-P energy: -101.963
tors. eta vs tors. theta energy: -237.170
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: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2552.403590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.403590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.611095 (E_RNA)
where:
Base-Base interactions energy: -1787.557
where: short stacking energy: -772.291
Base-Backbone interact. energy: -2.199
local terms energy: -768.854558
where:
bonds (distance) C4'-P energy: -130.398
bonds (distance) P-C4' energy: -137.249
flat angles C4'-P-C4' energy: -163.498
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -227.096
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: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2452.044844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.044844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.449540 (E_RNA)
where:
Base-Base interactions energy: -1749.192
where: short stacking energy: -746.753
Base-Backbone interact. energy: -4.801
local terms energy: -707.456827
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -141.369
flat angles P-C4'-P energy: -82.650
tors. eta vs tors. theta energy: -238.575
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2435.544616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.544616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.763373 (E_RNA)
where:
Base-Base interactions energy: -1740.126
where: short stacking energy: -702.384
Base-Backbone interact. energy: -0.171
local terms energy: -707.466733
where:
bonds (distance) C4'-P energy: -120.056
bonds (distance) P-C4' energy: -130.768
flat angles C4'-P-C4' energy: -154.459
flat angles P-C4'-P energy: -107.255
tors. eta vs tors. theta energy: -194.929
Dist. restrs. and SS energy: 12.219 (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: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2273.377380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.377380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.607095 (E_RNA)
where:
Base-Base interactions energy: -1630.677
where: short stacking energy: -690.796
Base-Backbone interact. energy: -1.214
local terms energy: -651.716521
where:
bonds (distance) C4'-P energy: -103.744
bonds (distance) P-C4' energy: -117.607
flat angles C4'-P-C4' energy: -137.378
flat angles P-C4'-P energy: -103.131
tors. eta vs tors. theta energy: -189.857
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: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2265.130820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.130820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.548892 (E_RNA)
where:
Base-Base interactions energy: -1576.327
where: short stacking energy: -676.090
Base-Backbone interact. energy: -2.780
local terms energy: -694.441257
where:
bonds (distance) C4'-P energy: -139.806
bonds (distance) P-C4' energy: -121.985
flat angles C4'-P-C4' energy: -139.760
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -199.533
Dist. restrs. and SS energy: 8.418 (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: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2105.687707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.687707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.780620 (E_RNA)
where:
Base-Base interactions energy: -1477.200
where: short stacking energy: -607.153
Base-Backbone interact. energy: -1.982
local terms energy: -642.598387
where:
bonds (distance) C4'-P energy: -112.301
bonds (distance) P-C4' energy: -126.818
flat angles C4'-P-C4' energy: -132.496
flat angles P-C4'-P energy: -92.474
tors. eta vs tors. theta energy: -178.508
Dist. restrs. and SS energy: 16.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -2007.956917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.956917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.353751 (E_RNA)
where:
Base-Base interactions energy: -1435.529
where: short stacking energy: -613.399
Base-Backbone interact. energy: 2.619
local terms energy: -596.443405
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -101.990
flat angles C4'-P-C4' energy: -141.915
flat angles P-C4'-P energy: -81.691
tors. eta vs tors. theta energy: -169.035
Dist. restrs. and SS energy: 21.397 (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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1833.236971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.236971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.911592 (E_RNA)
where:
Base-Base interactions energy: -1330.373
where: short stacking energy: -526.596
Base-Backbone interact. energy: -0.369
local terms energy: -527.169740
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -110.386
flat angles C4'-P-C4' energy: -103.333
flat angles P-C4'-P energy: -69.762
tors. eta vs tors. theta energy: -136.977
Dist. restrs. and SS energy: 24.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2777.869021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.869021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.115116 (E_RNA)
where:
Base-Base interactions energy: -1953.166
where: short stacking energy: -838.148
Base-Backbone interact. energy: -2.111
local terms energy: -824.837827
where:
bonds (distance) C4'-P energy: -140.685
bonds (distance) P-C4' energy: -135.020
flat angles C4'-P-C4' energy: -171.219
flat angles P-C4'-P energy: -112.110
tors. eta vs tors. theta energy: -265.803
Dist. restrs. and SS energy: 2.246 (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: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2637.962723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.962723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.979937 (E_RNA)
where:
Base-Base interactions energy: -1858.252
where: short stacking energy: -767.653
Base-Backbone interact. energy: -4.829
local terms energy: -783.898374
where:
bonds (distance) C4'-P energy: -121.384
bonds (distance) P-C4' energy: -143.262
flat angles C4'-P-C4' energy: -166.265
flat angles P-C4'-P energy: -120.061
tors. eta vs tors. theta energy: -232.928
Dist. restrs. and SS energy: 9.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2566.437526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.437526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.105081 (E_RNA)
where:
Base-Base interactions energy: -1814.560
where: short stacking energy: -774.604
Base-Backbone interact. energy: -1.959
local terms energy: -755.585432
where:
bonds (distance) C4'-P energy: -124.036
bonds (distance) P-C4' energy: -129.151
flat angles C4'-P-C4' energy: -165.050
flat angles P-C4'-P energy: -103.174
tors. eta vs tors. theta energy: -234.174
Dist. restrs. and SS energy: 5.668 (S_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: 139
Temperature: 1.050000
Total energy: -2475.959665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.959665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.952027 (E_RNA)
where:
Base-Base interactions energy: -1741.208
where: short stacking energy: -744.106
Base-Backbone interact. energy: 0.981
local terms energy: -747.725394
where:
bonds (distance) C4'-P energy: -132.394
bonds (distance) P-C4' energy: -132.369
flat angles C4'-P-C4' energy: -154.868
flat angles P-C4'-P energy: -111.655
tors. eta vs tors. theta energy: -216.440
Dist. restrs. and SS energy: 11.992 (S_DIST_RNA)
chem. 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: -2397.933364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.933364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.293995 (E_RNA)
where:
Base-Base interactions energy: -1689.906
where: short stacking energy: -710.517
Base-Backbone interact. energy: -4.246
local terms energy: -716.141367
where:
bonds (distance) C4'-P energy: -111.660
bonds (distance) P-C4' energy: -127.507
flat angles C4'-P-C4' energy: -155.255
flat angles P-C4'-P energy: -110.374
tors. eta vs tors. theta energy: -211.345
Dist. restrs. and SS energy: 12.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2269.419135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.419135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.762349 (E_RNA)
where:
Base-Base interactions energy: -1625.818
where: short stacking energy: -693.585
Base-Backbone interact. energy: -0.656
local terms energy: -664.288024
where:
bonds (distance) C4'-P energy: -110.616
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -147.344
flat angles P-C4'-P energy: -95.945
tors. eta vs tors. theta energy: -197.282
Dist. restrs. and SS energy: 21.343 (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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2255.476869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.476869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.888651 (E_RNA)
where:
Base-Base interactions energy: -1580.415
where: short stacking energy: -645.068
Base-Backbone interact. energy: -2.288
local terms energy: -687.184845
where:
bonds (distance) C4'-P energy: -134.613
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -135.728
flat angles P-C4'-P energy: -87.933
tors. eta vs tors. theta energy: -195.334
Dist. restrs. and SS energy: 14.412 (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: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2148.257790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.257790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.630543 (E_RNA)
where:
Base-Base interactions energy: -1517.693
where: short stacking energy: -620.283
Base-Backbone interact. energy: -2.858
local terms energy: -638.078924
where:
bonds (distance) C4'-P energy: -124.113
bonds (distance) P-C4' energy: -133.331
flat angles C4'-P-C4' energy: -136.907
flat angles P-C4'-P energy: -73.592
tors. eta vs tors. theta energy: -170.136
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: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -2056.510051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.592763 (E_RNA)
where:
Base-Base interactions energy: -1435.037
where: short stacking energy: -580.245
Base-Backbone interact. energy: 1.762
local terms energy: -635.318161
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -128.041
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -95.910
tors. eta vs tors. theta energy: -167.460
Dist. restrs. and SS energy: 12.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1853.959997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.959997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.136611 (E_RNA)
where:
Base-Base interactions energy: -1329.201
where: short stacking energy: -547.718
Base-Backbone interact. energy: -0.125
local terms energy: -548.810561
where:
bonds (distance) C4'-P energy: -96.715
bonds (distance) P-C4' energy: -107.454
flat angles C4'-P-C4' energy: -126.591
flat angles P-C4'-P energy: -80.186
tors. eta vs tors. theta energy: -137.865
Dist. restrs. and SS energy: 24.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2762.404187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.404187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.558293 (E_RNA)
where:
Base-Base interactions energy: -1915.219
where: short stacking energy: -841.306
Base-Backbone interact. energy: -2.499
local terms energy: -848.840372
where:
bonds (distance) C4'-P energy: -140.488
bonds (distance) P-C4' energy: -143.710
flat angles C4'-P-C4' energy: -171.391
flat angles P-C4'-P energy: -132.237
tors. eta vs tors. theta energy: -261.015
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2607.096951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.096951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.937772 (E_RNA)
where:
Base-Base interactions energy: -1812.657
where: short stacking energy: -766.346
Base-Backbone interact. energy: -2.047
local terms energy: -798.234006
where:
bonds (distance) C4'-P energy: -139.558
bonds (distance) P-C4' energy: -139.436
flat angles C4'-P-C4' energy: -172.214
flat angles P-C4'-P energy: -115.435
tors. eta vs tors. theta energy: -231.591
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2524.305686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.305686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.606656 (E_RNA)
where:
Base-Base interactions energy: -1772.383
where: short stacking energy: -748.551
Base-Backbone interact. energy: -4.798
local terms energy: -758.425730
where:
bonds (distance) C4'-P energy: -136.875
bonds (distance) P-C4' energy: -133.503
flat angles C4'-P-C4' energy: -161.743
flat angles P-C4'-P energy: -102.591
tors. eta vs tors. theta energy: -223.713
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: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2506.903312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.903312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.662082 (E_RNA)
where:
Base-Base interactions energy: -1757.036
where: short stacking energy: -746.055
Base-Backbone interact. energy: -1.753
local terms energy: -756.872454
where:
bonds (distance) C4'-P energy: -127.944
bonds (distance) P-C4' energy: -133.455
flat angles C4'-P-C4' energy: -164.069
flat angles P-C4'-P energy: -106.244
tors. eta vs tors. theta energy: -225.160
Dist. restrs. and SS energy: 8.759 (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: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2448.168185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.168185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.558243 (E_RNA)
where:
Base-Base interactions energy: -1732.475
where: short stacking energy: -708.496
Base-Backbone interact. energy: -2.037
local terms energy: -721.046546
where:
bonds (distance) C4'-P energy: -129.228
bonds (distance) P-C4' energy: -136.320
flat angles C4'-P-C4' energy: -153.969
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -213.018
Dist. restrs. and SS energy: 7.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2272.550295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.550295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.596929 (E_RNA)
where:
Base-Base interactions energy: -1606.247
where: short stacking energy: -654.820
Base-Backbone interact. energy: -1.766
local terms energy: -679.584175
where:
bonds (distance) C4'-P energy: -123.404
bonds (distance) P-C4' energy: -132.039
flat angles C4'-P-C4' energy: -149.684
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -179.184
Dist. restrs. and SS energy: 15.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2249.811598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.811598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.791144 (E_RNA)
where:
Base-Base interactions energy: -1589.825
where: short stacking energy: -669.305
Base-Backbone interact. energy: 1.667
local terms energy: -675.633408
where:
bonds (distance) C4'-P energy: -128.043
bonds (distance) P-C4' energy: -116.112
flat angles C4'-P-C4' energy: -148.152
flat angles P-C4'-P energy: -80.512
tors. eta vs tors. theta energy: -202.815
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2146.579577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.579577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.316762 (E_RNA)
where:
Base-Base interactions energy: -1516.246
where: short stacking energy: -608.930
Base-Backbone interact. energy: -4.866
local terms energy: -638.204690
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -143.460
flat angles P-C4'-P energy: -102.828
tors. eta vs tors. theta energy: -184.016
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: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -2004.742875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.742875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.825564 (E_RNA)
where:
Base-Base interactions energy: -1407.948
where: short stacking energy: -609.696
Base-Backbone interact. energy: -0.996
local terms energy: -611.881311
where:
bonds (distance) C4'-P energy: -124.775
bonds (distance) P-C4' energy: -126.696
flat angles C4'-P-C4' energy: -114.563
flat angles P-C4'-P energy: -78.013
tors. eta vs tors. theta energy: -167.835
Dist. restrs. and SS energy: 16.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1892.420902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.420902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.770063 (E_RNA)
where:
Base-Base interactions energy: -1312.965
where: short stacking energy: -549.639
Base-Backbone interact. energy: 0.236
local terms energy: -598.040390
where:
bonds (distance) C4'-P energy: -102.692
bonds (distance) P-C4' energy: -122.571
flat angles C4'-P-C4' energy: -125.307
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -165.257
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: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2778.839263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.839263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.515198 (E_RNA)
where:
Base-Base interactions energy: -1959.288
where: short stacking energy: -829.270
Base-Backbone interact. energy: -1.601
local terms energy: -820.626319
where:
bonds (distance) C4'-P energy: -140.378
bonds (distance) P-C4' energy: -138.618
flat angles C4'-P-C4' energy: -179.041
flat angles P-C4'-P energy: -111.869
tors. eta vs tors. theta energy: -250.719
Dist. restrs. and SS energy: 2.676 (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: 141
Temperature: 0.950000
Total energy: -2605.991214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.991214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.721734 (E_RNA)
where:
Base-Base interactions energy: -1822.862
where: short stacking energy: -792.715
Base-Backbone interact. energy: 0.642
local terms energy: -791.501275
where:
bonds (distance) C4'-P energy: -131.972
bonds (distance) P-C4' energy: -143.520
flat angles C4'-P-C4' energy: -161.401
flat angles P-C4'-P energy: -112.921
tors. eta vs tors. theta energy: -241.687
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: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2532.877388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.877388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.925714 (E_RNA)
where:
Base-Base interactions energy: -1802.963
where: short stacking energy: -765.962
Base-Backbone interact. energy: -2.910
local terms energy: -734.053058
where:
bonds (distance) C4'-P energy: -107.577
bonds (distance) P-C4' energy: -137.076
flat angles C4'-P-C4' energy: -161.123
flat angles P-C4'-P energy: -106.920
tors. eta vs tors. theta energy: -221.358
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2523.618631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.618631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.236331 (E_RNA)
where:
Base-Base interactions energy: -1758.946
where: short stacking energy: -773.907
Base-Backbone interact. energy: -2.225
local terms energy: -773.064854
where:
bonds (distance) C4'-P energy: -114.235
bonds (distance) P-C4' energy: -135.889
flat angles C4'-P-C4' energy: -171.004
flat angles P-C4'-P energy: -119.610
tors. eta vs tors. theta energy: -232.327
Dist. restrs. and SS energy: 10.618 (S_DIST_RNA)
chem. 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: -2430.161306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.161306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.938671 (E_RNA)
where:
Base-Base interactions energy: -1710.319
where: short stacking energy: -734.984
Base-Backbone interact. energy: -3.660
local terms energy: -722.959766
where:
bonds (distance) C4'-P energy: -128.399
bonds (distance) P-C4' energy: -119.642
flat angles C4'-P-C4' energy: -158.262
flat angles P-C4'-P energy: -111.107
tors. eta vs tors. theta energy: -205.550
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2330.527158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.527158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.759448 (E_RNA)
where:
Base-Base interactions energy: -1651.083
where: short stacking energy: -704.334
Base-Backbone interact. energy: -1.515
local terms energy: -689.161863
where:
bonds (distance) C4'-P energy: -115.271
bonds (distance) P-C4' energy: -118.342
flat angles C4'-P-C4' energy: -158.839
flat angles P-C4'-P energy: -97.143
tors. eta vs tors. theta energy: -199.566
Dist. restrs. and SS energy: 11.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2246.032778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.032778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.159704 (E_RNA)
where:
Base-Base interactions energy: -1575.088
where: short stacking energy: -649.444
Base-Backbone interact. energy: -2.019
local terms energy: -683.052751
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -130.494
flat angles C4'-P-C4' energy: -150.725
flat angles P-C4'-P energy: -101.821
tors. eta vs tors. theta energy: -197.830
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: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2065.708559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.708559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.257231 (E_RNA)
where:
Base-Base interactions energy: -1472.079
where: short stacking energy: -568.394
Base-Backbone interact. energy: -3.486
local terms energy: -603.692270
where:
bonds (distance) C4'-P energy: -108.075
bonds (distance) P-C4' energy: -119.360
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -157.800
Dist. restrs. and SS energy: 13.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -2083.861994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.861994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.146482 (E_RNA)
where:
Base-Base interactions energy: -1438.742
where: short stacking energy: -605.533
Base-Backbone interact. energy: 1.425
local terms energy: -661.829530
where:
bonds (distance) C4'-P energy: -126.297
bonds (distance) P-C4' energy: -127.599
flat angles C4'-P-C4' energy: -140.090
flat angles P-C4'-P energy: -95.809
tors. eta vs tors. theta energy: -172.035
Dist. restrs. and SS energy: 15.284 (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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1941.991468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.991468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.999992 (E_RNA)
where:
Base-Base interactions energy: -1420.170
where: short stacking energy: -565.278
Base-Backbone interact. energy: -2.429
local terms energy: -543.401373
where:
bonds (distance) C4'-P energy: -89.659
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -124.225
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -164.377
Dist. restrs. and SS energy: 24.009 (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: 142
Temperature: 0.900000
Total energy: -2754.599152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.278160 (E_RNA)
where:
Base-Base interactions energy: -1944.255
where: short stacking energy: -828.543
Base-Backbone interact. energy: -4.133
local terms energy: -809.890893
where:
bonds (distance) C4'-P energy: -136.131
bonds (distance) P-C4' energy: -145.450
flat angles C4'-P-C4' energy: -160.048
flat angles P-C4'-P energy: -123.167
tors. eta vs tors. theta energy: -245.094
Dist. restrs. and SS energy: 3.679 (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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2628.460147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.460147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.953109 (E_RNA)
where:
Base-Base interactions energy: -1863.250
where: short stacking energy: -787.457
Base-Backbone interact. energy: -1.310
local terms energy: -768.393517
where:
bonds (distance) C4'-P energy: -138.302
bonds (distance) P-C4' energy: -136.888
flat angles C4'-P-C4' energy: -159.000
flat angles P-C4'-P energy: -112.159
tors. eta vs tors. theta energy: -222.043
Dist. restrs. and SS energy: 4.493 (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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2544.319863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.319863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.842926 (E_RNA)
where:
Base-Base interactions energy: -1786.647
where: short stacking energy: -754.388
Base-Backbone interact. energy: -0.952
local terms energy: -766.244077
where:
bonds (distance) C4'-P energy: -133.792
bonds (distance) P-C4' energy: -136.748
flat angles C4'-P-C4' energy: -162.440
flat angles P-C4'-P energy: -103.237
tors. eta vs tors. theta energy: -230.027
Dist. restrs. and SS energy: 9.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2522.046405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.046405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.240275 (E_RNA)
where:
Base-Base interactions energy: -1769.433
where: short stacking energy: -761.756
Base-Backbone interact. energy: 4.283
local terms energy: -769.090019
where:
bonds (distance) C4'-P energy: -139.657
bonds (distance) P-C4' energy: -142.743
flat angles C4'-P-C4' energy: -156.969
flat angles P-C4'-P energy: -101.993
tors. eta vs tors. theta energy: -227.728
Dist. restrs. and SS energy: 12.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2394.827300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.827300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.309994 (E_RNA)
where:
Base-Base interactions energy: -1679.114
where: short stacking energy: -697.190
Base-Backbone interact. energy: -1.350
local terms energy: -726.846425
where:
bonds (distance) C4'-P energy: -146.691
bonds (distance) P-C4' energy: -122.785
flat angles C4'-P-C4' energy: -155.563
flat angles P-C4'-P energy: -93.108
tors. eta vs tors. theta energy: -208.700
Dist. restrs. and SS energy: 12.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2317.934040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.934040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.712251 (E_RNA)
where:
Base-Base interactions energy: -1680.279
where: short stacking energy: -716.395
Base-Backbone interact. energy: -1.582
local terms energy: -647.851173
where:
bonds (distance) C4'-P energy: -109.953
bonds (distance) P-C4' energy: -123.747
flat angles C4'-P-C4' energy: -150.563
flat angles P-C4'-P energy: -75.596
tors. eta vs tors. theta energy: -187.992
Dist. restrs. and SS energy: 11.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2197.521767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.521767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.239216 (E_RNA)
where:
Base-Base interactions energy: -1561.230
where: short stacking energy: -653.845
Base-Backbone interact. energy: 0.634
local terms energy: -651.643490
where:
bonds (distance) C4'-P energy: -118.761
bonds (distance) P-C4' energy: -119.171
flat angles C4'-P-C4' energy: -142.332
flat angles P-C4'-P energy: -95.835
tors. eta vs tors. theta energy: -175.544
Dist. restrs. and SS energy: 14.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2033.436742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.436742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.980342 (E_RNA)
where:
Base-Base interactions energy: -1453.832
where: short stacking energy: -597.925
Base-Backbone interact. energy: -2.121
local terms energy: -593.026717
where:
bonds (distance) C4'-P energy: -111.434
bonds (distance) P-C4' energy: -117.824
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -70.323
tors. eta vs tors. theta energy: -152.964
Dist. restrs. and SS energy: 15.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -2038.923810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.923810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.949636 (E_RNA)
where:
Base-Base interactions energy: -1453.313
where: short stacking energy: -604.610
Base-Backbone interact. energy: 1.267
local terms energy: -599.903782
where:
bonds (distance) C4'-P energy: -107.057
bonds (distance) P-C4' energy: -113.923
flat angles C4'-P-C4' energy: -124.640
flat angles P-C4'-P energy: -87.600
tors. eta vs tors. theta energy: -166.684
Dist. restrs. and SS energy: 13.026 (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: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1932.754586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.754586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.797079 (E_RNA)
where:
Base-Base interactions energy: -1391.699
where: short stacking energy: -572.464
Base-Backbone interact. energy: -1.364
local terms energy: -564.734601
where:
bonds (distance) C4'-P energy: -121.250
bonds (distance) P-C4' energy: -77.847
flat angles C4'-P-C4' energy: -123.821
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -153.911
Dist. restrs. and SS energy: 25.042 (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: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2764.657133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.657133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.701007 (E_RNA)
where:
Base-Base interactions energy: -1928.521
where: short stacking energy: -812.343
Base-Backbone interact. energy: -3.644
local terms energy: -835.536369
where:
bonds (distance) C4'-P energy: -146.728
bonds (distance) P-C4' energy: -158.934
flat angles C4'-P-C4' energy: -181.816
flat angles P-C4'-P energy: -106.134
tors. eta vs tors. theta energy: -241.924
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2649.513747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.513747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.304713 (E_RNA)
where:
Base-Base interactions energy: -1836.960
where: short stacking energy: -807.951
Base-Backbone interact. energy: -4.274
local terms energy: -816.070276
where:
bonds (distance) C4'-P energy: -136.335
bonds (distance) P-C4' energy: -154.159
flat angles C4'-P-C4' energy: -169.983
flat angles P-C4'-P energy: -114.112
tors. eta vs tors. theta energy: -241.481
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2582.194054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.194054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.856633 (E_RNA)
where:
Base-Base interactions energy: -1817.647
where: short stacking energy: -762.168
Base-Backbone interact. energy: -0.797
local terms energy: -772.412334
where:
bonds (distance) C4'-P energy: -138.518
bonds (distance) P-C4' energy: -145.699
flat angles C4'-P-C4' energy: -157.511
flat angles P-C4'-P energy: -111.626
tors. eta vs tors. theta energy: -219.058
Dist. restrs. and SS energy: 8.663 (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: 143
Temperature: 1.050000
Total energy: -2483.128668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.128668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.652940 (E_RNA)
where:
Base-Base interactions energy: -1746.272
where: short stacking energy: -741.036
Base-Backbone interact. energy: 0.791
local terms energy: -746.172131
where:
bonds (distance) C4'-P energy: -141.043
bonds (distance) P-C4' energy: -130.030
flat angles C4'-P-C4' energy: -153.800
flat angles P-C4'-P energy: -102.836
tors. eta vs tors. theta energy: -218.464
Dist. restrs. and SS energy: 8.524 (S_DIST_RNA)
chem. 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: -2386.221542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.221542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.269396 (E_RNA)
where:
Base-Base interactions energy: -1683.809
where: short stacking energy: -690.566
Base-Backbone interact. energy: -3.518
local terms energy: -706.942413
where:
bonds (distance) C4'-P energy: -119.240
bonds (distance) P-C4' energy: -129.778
flat angles C4'-P-C4' energy: -151.812
flat angles P-C4'-P energy: -100.451
tors. eta vs tors. theta energy: -205.661
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: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2294.801373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.801373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.928497 (E_RNA)
where:
Base-Base interactions energy: -1609.437
where: short stacking energy: -689.409
Base-Backbone interact. energy: -2.271
local terms energy: -692.219934
where:
bonds (distance) C4'-P energy: -131.058
bonds (distance) P-C4' energy: -119.830
flat angles C4'-P-C4' energy: -151.916
flat angles P-C4'-P energy: -101.279
tors. eta vs tors. theta energy: -188.136
Dist. restrs. and SS energy: 9.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2174.517287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.517287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.727093 (E_RNA)
where:
Base-Base interactions energy: -1518.708
where: short stacking energy: -634.947
Base-Backbone interact. energy: -0.848
local terms energy: -667.170795
where:
bonds (distance) C4'-P energy: -110.401
bonds (distance) P-C4' energy: -130.297
flat angles C4'-P-C4' energy: -146.057
flat angles P-C4'-P energy: -90.106
tors. eta vs tors. theta energy: -190.310
Dist. restrs. and SS energy: 12.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2051.491180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.491180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.005021 (E_RNA)
where:
Base-Base interactions energy: -1451.994
where: short stacking energy: -631.017
Base-Backbone interact. energy: -0.482
local terms energy: -625.529592
where:
bonds (distance) C4'-P energy: -124.442
bonds (distance) P-C4' energy: -112.251
flat angles C4'-P-C4' energy: -130.273
flat angles P-C4'-P energy: -99.302
tors. eta vs tors. theta energy: -159.262
Dist. restrs. and SS energy: 26.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -2070.386272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.386272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.393655 (E_RNA)
where:
Base-Base interactions energy: -1493.999
where: short stacking energy: -619.521
Base-Backbone interact. energy: -3.236
local terms energy: -585.158362
where:
bonds (distance) C4'-P energy: -120.040
bonds (distance) P-C4' energy: -99.230
flat angles C4'-P-C4' energy: -129.805
flat angles P-C4'-P energy: -69.073
tors. eta vs tors. theta energy: -167.011
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1906.601413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.601413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.918435 (E_RNA)
where:
Base-Base interactions energy: -1353.870
where: short stacking energy: -549.869
Base-Backbone interact. energy: -3.087
local terms energy: -565.961828
where:
bonds (distance) C4'-P energy: -101.535
bonds (distance) P-C4' energy: -103.790
flat angles C4'-P-C4' energy: -125.905
flat angles P-C4'-P energy: -83.121
tors. eta vs tors. theta energy: -151.610
Dist. restrs. and SS energy: 16.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2786.139563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.139563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.494217 (E_RNA)
where:
Base-Base interactions energy: -1933.302
where: short stacking energy: -844.030
Base-Backbone interact. energy: -2.886
local terms energy: -854.306645
where:
bonds (distance) C4'-P energy: -144.530
bonds (distance) P-C4' energy: -155.438
flat angles C4'-P-C4' energy: -168.147
flat angles P-C4'-P energy: -129.361
tors. eta vs tors. theta energy: -256.831
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2631.933053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.933053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.017228 (E_RNA)
where:
Base-Base interactions energy: -1839.630
where: short stacking energy: -805.746
Base-Backbone interact. energy: 0.506
local terms energy: -797.893884
where:
bonds (distance) C4'-P energy: -136.920
bonds (distance) P-C4' energy: -146.798
flat angles C4'-P-C4' energy: -167.554
flat angles P-C4'-P energy: -110.098
tors. eta vs tors. theta energy: -236.524
Dist. restrs. and SS energy: 5.084 (S_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: 144
Temperature: 1.000000
Total energy: -2590.263133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.263133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.726241 (E_RNA)
where:
Base-Base interactions energy: -1822.295
where: short stacking energy: -760.401
Base-Backbone interact. energy: -1.990
local terms energy: -772.441451
where:
bonds (distance) C4'-P energy: -130.748
bonds (distance) P-C4' energy: -146.651
flat angles C4'-P-C4' energy: -153.605
flat angles P-C4'-P energy: -110.215
tors. eta vs tors. theta energy: -231.223
Dist. restrs. and SS energy: 6.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2505.824553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.824553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.656491 (E_RNA)
where:
Base-Base interactions energy: -1745.280
where: short stacking energy: -727.779
Base-Backbone interact. energy: -0.528
local terms energy: -767.849195
where:
bonds (distance) C4'-P energy: -134.317
bonds (distance) P-C4' energy: -134.250
flat angles C4'-P-C4' energy: -167.728
flat angles P-C4'-P energy: -104.601
tors. eta vs tors. theta energy: -226.953
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2426.575080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.575080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.423701 (E_RNA)
where:
Base-Base interactions energy: -1709.708
where: short stacking energy: -727.780
Base-Backbone interact. energy: -2.463
local terms energy: -722.253275
where:
bonds (distance) C4'-P energy: -129.657
bonds (distance) P-C4' energy: -138.482
flat angles C4'-P-C4' energy: -145.835
flat angles P-C4'-P energy: -92.329
tors. eta vs tors. theta energy: -215.950
Dist. restrs. and SS energy: 7.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2322.191767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.191767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.331718 (E_RNA)
where:
Base-Base interactions energy: -1639.951
where: short stacking energy: -680.401
Base-Backbone interact. energy: -1.127
local terms energy: -693.254303
where:
bonds (distance) C4'-P energy: -116.417
bonds (distance) P-C4' energy: -135.736
flat angles C4'-P-C4' energy: -158.531
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -192.842
Dist. restrs. and SS energy: 12.140 (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: 144
Temperature: 1.200000
Total energy: -2195.216949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.216949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.731330 (E_RNA)
where:
Base-Base interactions energy: -1565.761
where: short stacking energy: -646.340
Base-Backbone interact. energy: -1.748
local terms energy: -641.222290
where:
bonds (distance) C4'-P energy: -127.736
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -143.416
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -179.041
Dist. restrs. and SS energy: 13.514 (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: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2082.846074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.846074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.950305 (E_RNA)
where:
Base-Base interactions energy: -1460.779
where: short stacking energy: -612.107
Base-Backbone interact. energy: -3.376
local terms energy: -635.795563
where:
bonds (distance) C4'-P energy: -105.245
bonds (distance) P-C4' energy: -124.612
flat angles C4'-P-C4' energy: -147.714
flat angles P-C4'-P energy: -84.506
tors. eta vs tors. theta energy: -173.719
Dist. restrs. and SS energy: 17.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2079.053055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.053055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.300641 (E_RNA)
where:
Base-Base interactions energy: -1484.620
where: short stacking energy: -608.088
Base-Backbone interact. energy: -0.818
local terms energy: -610.862651
where:
bonds (distance) C4'-P energy: -105.965
bonds (distance) P-C4' energy: -99.284
flat angles C4'-P-C4' energy: -144.394
flat angles P-C4'-P energy: -89.048
tors. eta vs tors. theta energy: -172.172
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: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1937.285151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.285151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.679087 (E_RNA)
where:
Base-Base interactions energy: -1368.739
where: short stacking energy: -548.143
Base-Backbone interact. energy: -0.243
local terms energy: -583.697352
where:
bonds (distance) C4'-P energy: -100.383
bonds (distance) P-C4' energy: -120.126
flat angles C4'-P-C4' energy: -137.702
flat angles P-C4'-P energy: -75.104
tors. eta vs tors. theta energy: -150.382
Dist. restrs. and SS energy: 15.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2786.785822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.785822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.586414 (E_RNA)
where:
Base-Base interactions energy: -1972.060
where: short stacking energy: -859.902
Base-Backbone interact. energy: -2.408
local terms energy: -818.119021
where:
bonds (distance) C4'-P energy: -126.732
bonds (distance) P-C4' energy: -137.309
flat angles C4'-P-C4' energy: -176.233
flat angles P-C4'-P energy: -116.933
tors. eta vs tors. theta energy: -260.912
Dist. restrs. and SS energy: 5.801 (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: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2623.523988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.523988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.218413 (E_RNA)
where:
Base-Base interactions energy: -1836.136
where: short stacking energy: -804.016
Base-Backbone interact. energy: -2.275
local terms energy: -793.807212
where:
bonds (distance) C4'-P energy: -127.438
bonds (distance) P-C4' energy: -145.136
flat angles C4'-P-C4' energy: -178.232
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -236.660
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: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2588.028260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.028260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.698431 (E_RNA)
where:
Base-Base interactions energy: -1813.265
where: short stacking energy: -764.934
Base-Backbone interact. energy: -2.915
local terms energy: -782.518609
where:
bonds (distance) C4'-P energy: -129.947
bonds (distance) P-C4' energy: -143.516
flat angles C4'-P-C4' energy: -168.250
flat angles P-C4'-P energy: -110.702
tors. eta vs tors. theta energy: -230.104
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: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2496.178460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.178460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.607669 (E_RNA)
where:
Base-Base interactions energy: -1771.382
where: short stacking energy: -735.160
Base-Backbone interact. energy: 1.318
local terms energy: -732.544524
where:
bonds (distance) C4'-P energy: -124.472
bonds (distance) P-C4' energy: -144.065
flat angles C4'-P-C4' energy: -145.117
flat angles P-C4'-P energy: -101.749
tors. eta vs tors. theta energy: -217.142
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: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2428.848673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.848673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.348292 (E_RNA)
where:
Base-Base interactions energy: -1734.243
where: short stacking energy: -718.276
Base-Backbone interact. energy: -4.566
local terms energy: -702.539267
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -126.459
flat angles C4'-P-C4' energy: -144.302
flat angles P-C4'-P energy: -88.388
tors. eta vs tors. theta energy: -216.278
Dist. restrs. and SS energy: 12.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2340.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.445429 (E_RNA)
where:
Base-Base interactions energy: -1639.075
where: short stacking energy: -705.925
Base-Backbone interact. energy: -1.657
local terms energy: -711.714072
where:
bonds (distance) C4'-P energy: -125.505
bonds (distance) P-C4' energy: -128.808
flat angles C4'-P-C4' energy: -153.712
flat angles P-C4'-P energy: -103.324
tors. eta vs tors. theta energy: -200.364
Dist. restrs. and SS energy: 11.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2208.153319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.153319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.176068 (E_RNA)
where:
Base-Base interactions energy: -1570.106
where: short stacking energy: -634.849
Base-Backbone interact. energy: -2.622
local terms energy: -646.448133
where:
bonds (distance) C4'-P energy: -124.065
bonds (distance) P-C4' energy: -122.526
flat angles C4'-P-C4' energy: -137.368
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -191.637
Dist. restrs. and SS energy: 11.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2128.515589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.515589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.526325 (E_RNA)
where:
Base-Base interactions energy: -1508.614
where: short stacking energy: -622.560
Base-Backbone interact. energy: 0.485
local terms energy: -640.397280
where:
bonds (distance) C4'-P energy: -126.488
bonds (distance) P-C4' energy: -110.013
flat angles C4'-P-C4' energy: -141.469
flat angles P-C4'-P energy: -85.430
tors. eta vs tors. theta energy: -176.997
Dist. restrs. and SS energy: 20.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -2109.642157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.642157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.707035 (E_RNA)
where:
Base-Base interactions energy: -1492.612
where: short stacking energy: -603.028
Base-Backbone interact. energy: -0.974
local terms energy: -634.121514
where:
bonds (distance) C4'-P energy: -102.783
bonds (distance) P-C4' energy: -130.764
flat angles C4'-P-C4' energy: -136.958
flat angles P-C4'-P energy: -95.396
tors. eta vs tors. theta energy: -168.221
Dist. restrs. and SS energy: 18.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1974.589434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.589434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.705559 (E_RNA)
where:
Base-Base interactions energy: -1376.711
where: short stacking energy: -558.490
Base-Backbone interact. energy: -3.984
local terms energy: -615.010466
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -141.579
flat angles C4'-P-C4' energy: -135.434
flat angles P-C4'-P energy: -95.552
tors. eta vs tors. theta energy: -149.664
Dist. restrs. and SS energy: 21.116 (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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2770.321953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.321953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.945456 (E_RNA)
where:
Base-Base interactions energy: -1937.756
where: short stacking energy: -831.110
Base-Backbone interact. energy: -0.525
local terms energy: -833.665189
where:
bonds (distance) C4'-P energy: -136.700
bonds (distance) P-C4' energy: -146.145
flat angles C4'-P-C4' energy: -172.942
flat angles P-C4'-P energy: -130.784
tors. eta vs tors. theta energy: -247.094
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: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2595.071140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.071140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.818331 (E_RNA)
where:
Base-Base interactions energy: -1803.802
where: short stacking energy: -749.068
Base-Backbone interact. energy: -4.203
local terms energy: -793.812920
where:
bonds (distance) C4'-P energy: -136.744
bonds (distance) P-C4' energy: -153.326
flat angles C4'-P-C4' energy: -164.869
flat angles P-C4'-P energy: -109.295
tors. eta vs tors. theta energy: -229.578
Dist. restrs. and SS energy: 6.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2569.449449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.449449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.670158 (E_RNA)
where:
Base-Base interactions energy: -1815.477
where: short stacking energy: -777.537
Base-Backbone interact. energy: -1.141
local terms energy: -759.052135
where:
bonds (distance) C4'-P energy: -146.846
bonds (distance) P-C4' energy: -126.195
flat angles C4'-P-C4' energy: -164.271
flat angles P-C4'-P energy: -94.538
tors. eta vs tors. theta energy: -227.202
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: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2509.550145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.550145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.506152 (E_RNA)
where:
Base-Base interactions energy: -1754.568
where: short stacking energy: -741.043
Base-Backbone interact. energy: -3.318
local terms energy: -762.619668
where:
bonds (distance) C4'-P energy: -126.375
bonds (distance) P-C4' energy: -145.860
flat angles C4'-P-C4' energy: -158.263
flat angles P-C4'-P energy: -103.329
tors. eta vs tors. theta energy: -228.792
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2450.422593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.422593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.802450 (E_RNA)
where:
Base-Base interactions energy: -1716.545
where: short stacking energy: -729.042
Base-Backbone interact. energy: -1.586
local terms energy: -739.671393
where:
bonds (distance) C4'-P energy: -133.163
bonds (distance) P-C4' energy: -127.171
flat angles C4'-P-C4' energy: -153.925
flat angles P-C4'-P energy: -103.278
tors. eta vs tors. theta energy: -222.135
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: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2307.158122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.158122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.896138 (E_RNA)
where:
Base-Base interactions energy: -1632.439
where: short stacking energy: -694.130
Base-Backbone interact. energy: 0.024
local terms energy: -691.480848
where:
bonds (distance) C4'-P energy: -124.116
bonds (distance) P-C4' energy: -112.857
flat angles C4'-P-C4' energy: -149.365
flat angles P-C4'-P energy: -94.590
tors. eta vs tors. theta energy: -210.554
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2218.724084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.724084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.972540 (E_RNA)
where:
Base-Base interactions energy: -1570.294
where: short stacking energy: -650.043
Base-Backbone interact. energy: 0.970
local terms energy: -669.648199
where:
bonds (distance) C4'-P energy: -116.494
bonds (distance) P-C4' energy: -111.766
flat angles C4'-P-C4' energy: -149.239
flat angles P-C4'-P energy: -100.935
tors. eta vs tors. theta energy: -191.214
Dist. restrs. and SS energy: 20.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2118.102837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.102837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.859346 (E_RNA)
where:
Base-Base interactions energy: -1484.538
where: short stacking energy: -641.170
Base-Backbone interact. energy: -3.459
local terms energy: -647.861752
where:
bonds (distance) C4'-P energy: -117.784
bonds (distance) P-C4' energy: -122.906
flat angles C4'-P-C4' energy: -142.103
flat angles P-C4'-P energy: -78.655
tors. eta vs tors. theta energy: -186.413
Dist. restrs. and SS energy: 17.757 (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: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -2056.099200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.099200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.666202 (E_RNA)
where:
Base-Base interactions energy: -1444.162
where: short stacking energy: -591.259
Base-Backbone interact. energy: -4.576
local terms energy: -628.928712
where:
bonds (distance) C4'-P energy: -138.473
bonds (distance) P-C4' energy: -117.956
flat angles C4'-P-C4' energy: -131.984
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -154.015
Dist. restrs. and SS energy: 21.567 (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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1990.072546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.072546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.983095 (E_RNA)
where:
Base-Base interactions energy: -1364.495
where: short stacking energy: -574.839
Base-Backbone interact. energy: 4.580
local terms energy: -655.068085
where:
bonds (distance) C4'-P energy: -128.713
bonds (distance) P-C4' energy: -112.864
flat angles C4'-P-C4' energy: -143.582
flat angles P-C4'-P energy: -95.848
tors. eta vs tors. theta energy: -174.061
Dist. restrs. and SS energy: 24.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2814.175993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.175993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.336619 (E_RNA)
where:
Base-Base interactions energy: -1948.047
where: short stacking energy: -851.335
Base-Backbone interact. energy: -3.125
local terms energy: -866.164322
where:
bonds (distance) C4'-P energy: -155.262
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -175.334
flat angles P-C4'-P energy: -129.438
tors. eta vs tors. theta energy: -262.192
Dist. restrs. and SS energy: 3.161 (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: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2628.000872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.000872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.371213 (E_RNA)
where:
Base-Base interactions energy: -1842.937
where: short stacking energy: -769.529
Base-Backbone interact. energy: -2.025
local terms energy: -793.409829
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -155.372
flat angles C4'-P-C4' energy: -170.457
flat angles P-C4'-P energy: -112.454
tors. eta vs tors. theta energy: -234.767
Dist. restrs. and SS energy: 10.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2613.573942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.573942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.026533 (E_RNA)
where:
Base-Base interactions energy: -1856.801
where: short stacking energy: -791.430
Base-Backbone interact. energy: -1.142
local terms energy: -763.084246
where:
bonds (distance) C4'-P energy: -137.897
bonds (distance) P-C4' energy: -139.524
flat angles C4'-P-C4' energy: -164.037
flat angles P-C4'-P energy: -98.347
tors. eta vs tors. theta energy: -223.280
Dist. restrs. and SS energy: 7.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2518.848629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.960181 (E_RNA)
where:
Base-Base interactions energy: -1771.544
where: short stacking energy: -735.210
Base-Backbone interact. energy: -0.545
local terms energy: -753.871052
where:
bonds (distance) C4'-P energy: -139.180
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -154.927
flat angles P-C4'-P energy: -100.103
tors. eta vs tors. theta energy: -226.994
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: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2465.488213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.488213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.106855 (E_RNA)
where:
Base-Base interactions energy: -1734.819
where: short stacking energy: -732.595
Base-Backbone interact. energy: -1.953
local terms energy: -735.335330
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -146.288
flat angles C4'-P-C4' energy: -162.123
flat angles P-C4'-P energy: -102.255
tors. eta vs tors. theta energy: -220.191
Dist. restrs. and SS energy: 6.619 (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: 147
Temperature: 1.150000
Total energy: -2320.837561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.837561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.844200 (E_RNA)
where:
Base-Base interactions energy: -1637.946
where: short stacking energy: -707.759
Base-Backbone interact. energy: -2.228
local terms energy: -694.670936
where:
bonds (distance) C4'-P energy: -135.408
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -148.695
flat angles P-C4'-P energy: -105.552
tors. eta vs tors. theta energy: -202.075
Dist. restrs. and SS energy: 14.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2234.754653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.754653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.274884 (E_RNA)
where:
Base-Base interactions energy: -1586.379
where: short stacking energy: -653.972
Base-Backbone interact. energy: 0.721
local terms energy: -657.616692
where:
bonds (distance) C4'-P energy: -119.795
bonds (distance) P-C4' energy: -123.902
flat angles C4'-P-C4' energy: -144.014
flat angles P-C4'-P energy: -85.801
tors. eta vs tors. theta energy: -184.105
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: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2113.543518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.543518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.132548 (E_RNA)
where:
Base-Base interactions energy: -1498.928
where: short stacking energy: -620.878
Base-Backbone interact. energy: -2.027
local terms energy: -629.177242
where:
bonds (distance) C4'-P energy: -113.020
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -145.456
flat angles P-C4'-P energy: -92.038
tors. eta vs tors. theta energy: -166.894
Dist. restrs. and SS energy: 16.589 (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: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -2040.731129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.731129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.566903 (E_RNA)
where:
Base-Base interactions energy: -1427.679
where: short stacking energy: -591.005
Base-Backbone interact. energy: -3.530
local terms energy: -630.358492
where:
bonds (distance) C4'-P energy: -108.442
bonds (distance) P-C4' energy: -119.037
flat angles C4'-P-C4' energy: -137.829
flat angles P-C4'-P energy: -89.377
tors. eta vs tors. theta energy: -175.673
Dist. restrs. and SS energy: 20.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1902.659574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.659574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.796106 (E_RNA)
where:
Base-Base interactions energy: -1348.180
where: short stacking energy: -541.924
Base-Backbone interact. energy: -0.125
local terms energy: -571.491312
where:
bonds (distance) C4'-P energy: -90.979
bonds (distance) P-C4' energy: -103.315
flat angles C4'-P-C4' energy: -138.990
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -149.413
Dist. restrs. and SS energy: 17.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2765.274074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.274074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.092198 (E_RNA)
where:
Base-Base interactions energy: -1936.123
where: short stacking energy: -817.677
Base-Backbone interact. energy: -0.576
local terms energy: -831.392639
where:
bonds (distance) C4'-P energy: -146.790
bonds (distance) P-C4' energy: -141.806
flat angles C4'-P-C4' energy: -172.418
flat angles P-C4'-P energy: -125.460
tors. eta vs tors. theta energy: -244.918
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: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2617.978490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.978490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.304869 (E_RNA)
where:
Base-Base interactions energy: -1834.812
where: short stacking energy: -786.788
Base-Backbone interact. energy: 5.663
local terms energy: -797.156401
where:
bonds (distance) C4'-P energy: -158.868
bonds (distance) P-C4' energy: -150.061
flat angles C4'-P-C4' energy: -158.280
flat angles P-C4'-P energy: -96.560
tors. eta vs tors. theta energy: -233.388
Dist. restrs. and SS energy: 8.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2594.316169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.316169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.004497 (E_RNA)
where:
Base-Base interactions energy: -1796.747
where: short stacking energy: -770.122
Base-Backbone interact. energy: -2.270
local terms energy: -806.987839
where:
bonds (distance) C4'-P energy: -145.684
bonds (distance) P-C4' energy: -139.633
flat angles C4'-P-C4' energy: -173.530
flat angles P-C4'-P energy: -114.262
tors. eta vs tors. theta energy: -233.879
Dist. restrs. and SS energy: 11.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2510.206271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.206271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.724932 (E_RNA)
where:
Base-Base interactions energy: -1763.837
where: short stacking energy: -750.965
Base-Backbone interact. energy: -6.536
local terms energy: -745.351570
where:
bonds (distance) C4'-P energy: -139.891
bonds (distance) P-C4' energy: -123.817
flat angles C4'-P-C4' energy: -156.645
flat angles P-C4'-P energy: -102.871
tors. eta vs tors. theta energy: -222.127
Dist. restrs. and SS energy: 5.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2486.386040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.386040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.152358 (E_RNA)
where:
Base-Base interactions energy: -1774.966
where: short stacking energy: -730.946
Base-Backbone interact. energy: -4.719
local terms energy: -713.467870
where:
bonds (distance) C4'-P energy: -132.199
bonds (distance) P-C4' energy: -116.211
flat angles C4'-P-C4' energy: -151.981
flat angles P-C4'-P energy: -104.055
tors. eta vs tors. theta energy: -209.023
Dist. restrs. and SS energy: 6.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2347.637791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.637791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.440676 (E_RNA)
where:
Base-Base interactions energy: -1647.833
where: short stacking energy: -714.589
Base-Backbone interact. energy: -2.919
local terms energy: -707.688842
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -147.629
flat angles C4'-P-C4' energy: -151.321
flat angles P-C4'-P energy: -101.330
tors. eta vs tors. theta energy: -218.392
Dist. restrs. and SS energy: 10.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2215.626104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.626104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.186651 (E_RNA)
where:
Base-Base interactions energy: -1568.456
where: short stacking energy: -676.561
Base-Backbone interact. energy: -3.008
local terms energy: -657.723389
where:
bonds (distance) C4'-P energy: -114.298
bonds (distance) P-C4' energy: -99.251
flat angles C4'-P-C4' energy: -141.762
flat angles P-C4'-P energy: -95.089
tors. eta vs tors. theta energy: -207.324
Dist. restrs. and SS energy: 13.561 (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: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2090.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.588635 (E_RNA)
where:
Base-Base interactions energy: -1484.168
where: short stacking energy: -622.041
Base-Backbone interact. energy: -0.300
local terms energy: -627.120173
where:
bonds (distance) C4'-P energy: -104.423
bonds (distance) P-C4' energy: -120.980
flat angles C4'-P-C4' energy: -138.769
flat angles P-C4'-P energy: -92.592
tors. eta vs tors. theta energy: -170.356
Dist. restrs. and SS energy: 20.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -2048.523018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.523018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.644090 (E_RNA)
where:
Base-Base interactions energy: -1458.087
where: short stacking energy: -588.969
Base-Backbone interact. energy: -0.967
local terms energy: -608.589738
where:
bonds (distance) C4'-P energy: -130.748
bonds (distance) P-C4' energy: -112.268
flat angles C4'-P-C4' energy: -122.613
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -151.093
Dist. restrs. and SS energy: 19.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1876.795710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.795710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.081372 (E_RNA)
where:
Base-Base interactions energy: -1315.717
where: short stacking energy: -531.606
Base-Backbone interact. energy: -2.862
local terms energy: -581.501954
where:
bonds (distance) C4'-P energy: -103.113
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -111.220
flat angles P-C4'-P energy: -98.373
tors. eta vs tors. theta energy: -133.297
Dist. restrs. and SS energy: 23.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2771.885606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.885606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.582565 (E_RNA)
where:
Base-Base interactions energy: -1951.242
where: short stacking energy: -818.043
Base-Backbone interact. energy: -3.714
local terms energy: -819.626442
where:
bonds (distance) C4'-P energy: -145.773
bonds (distance) P-C4' energy: -138.796
flat angles C4'-P-C4' energy: -168.363
flat angles P-C4'-P energy: -117.161
tors. eta vs tors. theta energy: -249.533
Dist. restrs. and SS energy: 2.697 (S_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: 149
Temperature: 0.950000
Total energy: -2631.622540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.622540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.097433 (E_RNA)
where:
Base-Base interactions energy: -1850.587
where: short stacking energy: -793.291
Base-Backbone interact. energy: -1.600
local terms energy: -785.910635
where:
bonds (distance) C4'-P energy: -136.123
bonds (distance) P-C4' energy: -133.972
flat angles C4'-P-C4' energy: -160.590
flat angles P-C4'-P energy: -110.789
tors. eta vs tors. theta energy: -244.436
Dist. restrs. and SS energy: 6.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2575.169489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.169489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.845575 (E_RNA)
where:
Base-Base interactions energy: -1803.014
where: short stacking energy: -766.833
Base-Backbone interact. energy: -3.588
local terms energy: -776.243149
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -144.226
flat angles C4'-P-C4' energy: -160.779
flat angles P-C4'-P energy: -110.288
tors. eta vs tors. theta energy: -231.635
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: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2481.679098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.679098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.391555 (E_RNA)
where:
Base-Base interactions energy: -1753.106
where: short stacking energy: -742.773
Base-Backbone interact. energy: -2.673
local terms energy: -732.612673
where:
bonds (distance) C4'-P energy: -122.772
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -165.401
flat angles P-C4'-P energy: -102.585
tors. eta vs tors. theta energy: -218.255
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: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2468.051619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.051619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.415080 (E_RNA)
where:
Base-Base interactions energy: -1737.294
where: short stacking energy: -730.111
Base-Backbone interact. energy: -2.813
local terms energy: -736.308774
where:
bonds (distance) C4'-P energy: -139.323
bonds (distance) P-C4' energy: -117.934
flat angles C4'-P-C4' energy: -148.316
flat angles P-C4'-P energy: -101.339
tors. eta vs tors. theta energy: -229.396
Dist. restrs. and SS energy: 8.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2346.083386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.083386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.643294 (E_RNA)
where:
Base-Base interactions energy: -1655.146
where: short stacking energy: -698.339
Base-Backbone interact. energy: -0.174
local terms energy: -703.323393
where:
bonds (distance) C4'-P energy: -114.952
bonds (distance) P-C4' energy: -137.656
flat angles C4'-P-C4' energy: -153.714
flat angles P-C4'-P energy: -89.216
tors. eta vs tors. theta energy: -207.785
Dist. restrs. and SS energy: 12.560 (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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2214.529557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.529557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.169098 (E_RNA)
where:
Base-Base interactions energy: -1570.770
where: short stacking energy: -653.214
Base-Backbone interact. energy: -1.666
local terms energy: -654.733795
where:
bonds (distance) C4'-P energy: -117.942
bonds (distance) P-C4' energy: -119.778
flat angles C4'-P-C4' energy: -136.393
flat angles P-C4'-P energy: -91.227
tors. eta vs tors. theta energy: -189.394
Dist. restrs. and SS energy: 12.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2103.758399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.758399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.453680 (E_RNA)
where:
Base-Base interactions energy: -1491.497
where: short stacking energy: -623.484
Base-Backbone interact. energy: 4.450
local terms energy: -644.406948
where:
bonds (distance) C4'-P energy: -128.935
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -146.880
flat angles P-C4'-P energy: -93.120
tors. eta vs tors. theta energy: -164.457
Dist. restrs. and SS energy: 27.695 (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: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -2044.097036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.097036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.344129 (E_RNA)
where:
Base-Base interactions energy: -1454.455
where: short stacking energy: -602.388
Base-Backbone interact. energy: -0.781
local terms energy: -607.108132
where:
bonds (distance) C4'-P energy: -119.224
bonds (distance) P-C4' energy: -112.970
flat angles C4'-P-C4' energy: -117.452
flat angles P-C4'-P energy: -78.880
tors. eta vs tors. theta energy: -178.582
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1927.619409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.619409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.585669 (E_RNA)
where:
Base-Base interactions energy: -1384.784
where: short stacking energy: -546.831
Base-Backbone interact. energy: -0.174
local terms energy: -565.626946
where:
bonds (distance) C4'-P energy: -109.886
bonds (distance) P-C4' energy: -106.539
flat angles C4'-P-C4' energy: -122.674
flat angles P-C4'-P energy: -80.348
tors. eta vs tors. theta energy: -146.181
Dist. restrs. and SS energy: 22.966 (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: 150
Temperature: 0.900000
Total energy: -2771.921788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.921788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.485668 (E_RNA)
where:
Base-Base interactions energy: -1936.289
where: short stacking energy: -818.143
Base-Backbone interact. energy: -3.657
local terms energy: -834.539294
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -148.789
flat angles C4'-P-C4' energy: -176.560
flat angles P-C4'-P energy: -126.605
tors. eta vs tors. theta energy: -247.838
Dist. restrs. and SS energy: 2.564 (S_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: 150
Temperature: 0.950000
Total energy: -2621.840358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.840358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.907782 (E_RNA)
where:
Base-Base interactions energy: -1835.941
where: short stacking energy: -784.145
Base-Backbone interact. energy: -1.759
local terms energy: -792.207481
where:
bonds (distance) C4'-P energy: -145.985
bonds (distance) P-C4' energy: -142.216
flat angles C4'-P-C4' energy: -159.474
flat angles P-C4'-P energy: -111.500
tors. eta vs tors. theta energy: -233.031
Dist. restrs. and SS energy: 8.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2580.724934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.773632 (E_RNA)
where:
Base-Base interactions energy: -1807.410
where: short stacking energy: -765.491
Base-Backbone interact. energy: -4.482
local terms energy: -782.881627
where:
bonds (distance) C4'-P energy: -143.248
bonds (distance) P-C4' energy: -145.138
flat angles C4'-P-C4' energy: -164.305
flat angles P-C4'-P energy: -111.223
tors. eta vs tors. theta energy: -218.968
Dist. restrs. and SS energy: 14.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2478.136791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.136791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.379358 (E_RNA)
where:
Base-Base interactions energy: -1743.577
where: short stacking energy: -737.243
Base-Backbone interact. energy: -1.533
local terms energy: -740.269393
where:
bonds (distance) C4'-P energy: -138.703
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -153.534
flat angles P-C4'-P energy: -99.804
tors. eta vs tors. theta energy: -223.950
Dist. restrs. and SS energy: 7.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2462.892759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.892759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.685774 (E_RNA)
where:
Base-Base interactions energy: -1727.542
where: short stacking energy: -733.966
Base-Backbone interact. energy: -2.021
local terms energy: -742.123101
where:
bonds (distance) C4'-P energy: -126.609
bonds (distance) P-C4' energy: -138.373
flat angles C4'-P-C4' energy: -145.773
flat angles P-C4'-P energy: -109.045
tors. eta vs tors. theta energy: -222.324
Dist. restrs. and SS energy: 8.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2285.894200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.894200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.249140 (E_RNA)
where:
Base-Base interactions energy: -1630.907
where: short stacking energy: -682.316
Base-Backbone interact. energy: -2.138
local terms energy: -667.204462
where:
bonds (distance) C4'-P energy: -124.320
bonds (distance) P-C4' energy: -107.884
flat angles C4'-P-C4' energy: -148.957
flat angles P-C4'-P energy: -84.197
tors. eta vs tors. theta energy: -201.845
Dist. restrs. and SS energy: 14.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2201.901723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.901723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.479651 (E_RNA)
where:
Base-Base interactions energy: -1531.384
where: short stacking energy: -639.920
Base-Backbone interact. energy: -1.343
local terms energy: -678.752608
where:
bonds (distance) C4'-P energy: -112.202
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -97.943
tors. eta vs tors. theta energy: -193.509
Dist. restrs. and SS energy: 9.578 (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: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2086.802884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.802884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.011936 (E_RNA)
where:
Base-Base interactions energy: -1459.330
where: short stacking energy: -623.799
Base-Backbone interact. energy: -1.208
local terms energy: -640.474157
where:
bonds (distance) C4'-P energy: -105.676
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -148.423
flat angles P-C4'-P energy: -93.767
tors. eta vs tors. theta energy: -170.748
Dist. restrs. and SS energy: 14.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -2046.160327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.160327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.878732 (E_RNA)
where:
Base-Base interactions energy: -1462.458
where: short stacking energy: -621.924
Base-Backbone interact. energy: -1.734
local terms energy: -595.686923
where:
bonds (distance) C4'-P energy: -111.446
bonds (distance) P-C4' energy: -114.696
flat angles C4'-P-C4' energy: -141.159
flat angles P-C4'-P energy: -64.578
tors. eta vs tors. theta energy: -163.808
Dist. restrs. and SS energy: 13.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1914.960761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.960761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.619869 (E_RNA)
where:
Base-Base interactions energy: -1327.336
where: short stacking energy: -549.066
Base-Backbone interact. energy: -3.339
local terms energy: -602.944994
where:
bonds (distance) C4'-P energy: -122.994
bonds (distance) P-C4' energy: -114.108
flat angles C4'-P-C4' energy: -132.947
flat angles P-C4'-P energy: -77.210
tors. eta vs tors. theta energy: -155.686
Dist. restrs. and SS energy: 18.659 (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: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2806.891683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.891683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.232840 (E_RNA)
where:
Base-Base interactions energy: -1962.448
where: short stacking energy: -845.763
Base-Backbone interact. energy: -4.825
local terms energy: -841.960755
where:
bonds (distance) C4'-P energy: -150.007
bonds (distance) P-C4' energy: -141.542
flat angles C4'-P-C4' energy: -176.799
flat angles P-C4'-P energy: -118.942
tors. eta vs tors. theta energy: -254.671
Dist. restrs. and SS energy: 2.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2609.351581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.351581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.025637 (E_RNA)
where:
Base-Base interactions energy: -1834.417
where: short stacking energy: -789.444
Base-Backbone interact. energy: -0.331
local terms energy: -780.277336
where:
bonds (distance) C4'-P energy: -153.438
bonds (distance) P-C4' energy: -129.600
flat angles C4'-P-C4' energy: -164.017
flat angles P-C4'-P energy: -107.587
tors. eta vs tors. theta energy: -225.636
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: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2565.701558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.701558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.682915 (E_RNA)
where:
Base-Base interactions energy: -1784.293
where: short stacking energy: -750.339
Base-Backbone interact. energy: -1.622
local terms energy: -790.768114
where:
bonds (distance) C4'-P energy: -148.253
bonds (distance) P-C4' energy: -137.902
flat angles C4'-P-C4' energy: -168.968
flat angles P-C4'-P energy: -106.863
tors. eta vs tors. theta energy: -228.782
Dist. restrs. and SS energy: 10.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2457.337982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.337982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.592666 (E_RNA)
where:
Base-Base interactions energy: -1743.143
where: short stacking energy: -727.570
Base-Backbone interact. energy: 1.472
local terms energy: -719.921330
where:
bonds (distance) C4'-P energy: -118.762
bonds (distance) P-C4' energy: -136.485
flat angles C4'-P-C4' energy: -151.767
flat angles P-C4'-P energy: -99.919
tors. eta vs tors. theta energy: -212.989
Dist. restrs. and SS energy: 4.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2510.187037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.187037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.202833 (E_RNA)
where:
Base-Base interactions energy: -1745.958
where: short stacking energy: -763.124
Base-Backbone interact. energy: -1.908
local terms energy: -770.336528
where:
bonds (distance) C4'-P energy: -119.267
bonds (distance) P-C4' energy: -141.143
flat angles C4'-P-C4' energy: -166.358
flat angles P-C4'-P energy: -115.645
tors. eta vs tors. theta energy: -227.923
Dist. restrs. and SS energy: 8.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2348.386752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.386752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.925385 (E_RNA)
where:
Base-Base interactions energy: -1654.847
where: short stacking energy: -707.690
Base-Backbone interact. energy: -0.280
local terms energy: -700.798168
where:
bonds (distance) C4'-P energy: -112.364
bonds (distance) P-C4' energy: -120.359
flat angles C4'-P-C4' energy: -155.821
flat angles P-C4'-P energy: -104.270
tors. eta vs tors. theta energy: -207.984
Dist. restrs. and SS energy: 7.539 (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: 151
Temperature: 1.200000
Total energy: -2221.657359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.657359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.555189 (E_RNA)
where:
Base-Base interactions energy: -1576.137
where: short stacking energy: -660.829
Base-Backbone interact. energy: -3.933
local terms energy: -657.485494
where:
bonds (distance) C4'-P energy: -122.348
bonds (distance) P-C4' energy: -116.548
flat angles C4'-P-C4' energy: -138.086
flat angles P-C4'-P energy: -99.459
tors. eta vs tors. theta energy: -181.045
Dist. restrs. and SS energy: 15.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2081.678465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.678465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.774848 (E_RNA)
where:
Base-Base interactions energy: -1483.373
where: short stacking energy: -631.628
Base-Backbone interact. energy: -4.022
local terms energy: -609.380091
where:
bonds (distance) C4'-P energy: -117.921
bonds (distance) P-C4' energy: -106.596
flat angles C4'-P-C4' energy: -131.804
flat angles P-C4'-P energy: -76.528
tors. eta vs tors. theta energy: -176.531
Dist. restrs. and SS energy: 15.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -2057.702421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.702421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.586820 (E_RNA)
where:
Base-Base interactions energy: -1478.764
where: short stacking energy: -628.325
Base-Backbone interact. energy: 1.758
local terms energy: -600.581413
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -133.451
flat angles C4'-P-C4' energy: -128.743
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -168.970
Dist. restrs. and SS energy: 19.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1997.269928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.269928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.969370 (E_RNA)
where:
Base-Base interactions energy: -1426.046
where: short stacking energy: -583.300
Base-Backbone interact. energy: -4.818
local terms energy: -586.105535
where:
bonds (distance) C4'-P energy: -103.098
bonds (distance) P-C4' energy: -132.323
flat angles C4'-P-C4' energy: -123.758
flat angles P-C4'-P energy: -65.281
tors. eta vs tors. theta energy: -161.645
Dist. restrs. and SS energy: 19.699 (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: 152
Temperature: 0.900000
Total energy: -2809.404673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.404673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.065197 (E_RNA)
where:
Base-Base interactions energy: -1966.313
where: short stacking energy: -822.648
Base-Backbone interact. energy: -4.206
local terms energy: -841.546807
where:
bonds (distance) C4'-P energy: -152.146
bonds (distance) P-C4' energy: -140.963
flat angles C4'-P-C4' energy: -180.268
flat angles P-C4'-P energy: -116.858
tors. eta vs tors. theta energy: -251.311
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2630.635708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.635708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.148559 (E_RNA)
where:
Base-Base interactions energy: -1837.536
where: short stacking energy: -760.025
Base-Backbone interact. energy: -1.317
local terms energy: -798.295607
where:
bonds (distance) C4'-P energy: -134.632
bonds (distance) P-C4' energy: -154.004
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -110.423
tors. eta vs tors. theta energy: -235.379
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: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2601.915106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.915106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.401774 (E_RNA)
where:
Base-Base interactions energy: -1832.928
where: short stacking energy: -769.264
Base-Backbone interact. energy: -2.963
local terms energy: -774.510723
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -148.661
flat angles C4'-P-C4' energy: -149.536
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -232.236
Dist. restrs. and SS energy: 8.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2477.686158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.686158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.297603 (E_RNA)
where:
Base-Base interactions energy: -1765.891
where: short stacking energy: -760.078
Base-Backbone interact. energy: 1.484
local terms energy: -720.890052
where:
bonds (distance) C4'-P energy: -134.064
bonds (distance) P-C4' energy: -120.553
flat angles C4'-P-C4' energy: -142.640
flat angles P-C4'-P energy: -92.630
tors. eta vs tors. theta energy: -231.004
Dist. restrs. and SS energy: 7.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2473.832745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.832745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.068623 (E_RNA)
where:
Base-Base interactions energy: -1777.781
where: short stacking energy: -732.918
Base-Backbone interact. energy: -0.081
local terms energy: -700.206590
where:
bonds (distance) C4'-P energy: -97.834
bonds (distance) P-C4' energy: -118.166
flat angles C4'-P-C4' energy: -145.675
flat angles P-C4'-P energy: -103.716
tors. eta vs tors. theta energy: -234.815
Dist. restrs. and SS energy: 4.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2313.285435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.285435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.564149 (E_RNA)
where:
Base-Base interactions energy: -1630.541
where: short stacking energy: -692.491
Base-Backbone interact. energy: 0.010
local terms energy: -700.033295
where:
bonds (distance) C4'-P energy: -122.389
bonds (distance) P-C4' energy: -141.744
flat angles C4'-P-C4' energy: -130.627
flat angles P-C4'-P energy: -99.528
tors. eta vs tors. theta energy: -205.745
Dist. restrs. and SS energy: 17.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2122.871394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.871394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.613837 (E_RNA)
where:
Base-Base interactions energy: -1463.227
where: short stacking energy: -622.335
Base-Backbone interact. energy: -2.912
local terms energy: -678.474595
where:
bonds (distance) C4'-P energy: -118.084
bonds (distance) P-C4' energy: -137.384
flat angles C4'-P-C4' energy: -154.180
flat angles P-C4'-P energy: -102.866
tors. eta vs tors. theta energy: -165.960
Dist. restrs. and SS energy: 21.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2132.421212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.421212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.903067 (E_RNA)
where:
Base-Base interactions energy: -1487.578
where: short stacking energy: -600.103
Base-Backbone interact. energy: -1.689
local terms energy: -656.636125
where:
bonds (distance) C4'-P energy: -139.815
bonds (distance) P-C4' energy: -119.043
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -182.216
Dist. restrs. and SS energy: 13.482 (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: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -2042.846394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.846394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.112626 (E_RNA)
where:
Base-Base interactions energy: -1452.279
where: short stacking energy: -619.320
Base-Backbone interact. energy: -3.637
local terms energy: -607.196698
where:
bonds (distance) C4'-P energy: -111.739
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -128.770
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -178.592
Dist. restrs. and SS energy: 20.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1923.434056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.434056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.476950 (E_RNA)
where:
Base-Base interactions energy: -1343.444
where: short stacking energy: -568.985
Base-Backbone interact. energy: 5.126
local terms energy: -609.159152
where:
bonds (distance) C4'-P energy: -123.381
bonds (distance) P-C4' energy: -132.685
flat angles C4'-P-C4' energy: -132.363
flat angles P-C4'-P energy: -61.745
tors. eta vs tors. theta energy: -158.984
Dist. restrs. and SS energy: 24.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2787.285826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.285826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.145623 (E_RNA)
where:
Base-Base interactions energy: -1954.190
where: short stacking energy: -822.297
Base-Backbone interact. energy: -2.576
local terms energy: -834.379687
where:
bonds (distance) C4'-P energy: -145.917
bonds (distance) P-C4' energy: -144.194
flat angles C4'-P-C4' energy: -170.150
flat angles P-C4'-P energy: -123.564
tors. eta vs tors. theta energy: -250.554
Dist. restrs. and SS energy: 3.860 (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: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2623.894618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.894618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.692767 (E_RNA)
where:
Base-Base interactions energy: -1870.228
where: short stacking energy: -790.114
Base-Backbone interact. energy: -1.255
local terms energy: -760.209170
where:
bonds (distance) C4'-P energy: -131.435
bonds (distance) P-C4' energy: -116.008
flat angles C4'-P-C4' energy: -168.645
flat angles P-C4'-P energy: -106.022
tors. eta vs tors. theta energy: -238.099
Dist. restrs. and SS energy: 7.798 (S_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: 153
Temperature: 1.000000
Total energy: -2616.773841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.773841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.731492 (E_RNA)
where:
Base-Base interactions energy: -1841.586
where: short stacking energy: -771.282
Base-Backbone interact. energy: -3.071
local terms energy: -784.074467
where:
bonds (distance) C4'-P energy: -142.060
bonds (distance) P-C4' energy: -144.777
flat angles C4'-P-C4' energy: -162.810
flat angles P-C4'-P energy: -97.179
tors. eta vs tors. theta energy: -237.248
Dist. restrs. and SS energy: 11.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2471.101631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.101631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.784209 (E_RNA)
where:
Base-Base interactions energy: -1690.135
where: short stacking energy: -742.935
Base-Backbone interact. energy: -3.999
local terms energy: -784.649652
where:
bonds (distance) C4'-P energy: -141.647
bonds (distance) P-C4' energy: -125.212
flat angles C4'-P-C4' energy: -176.017
flat angles P-C4'-P energy: -109.781
tors. eta vs tors. theta energy: -231.993
Dist. restrs. and SS energy: 7.683 (S_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: 153
Temperature: 1.100000
Total energy: -2389.250805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.250805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.834517 (E_RNA)
where:
Base-Base interactions energy: -1692.945
where: short stacking energy: -715.652
Base-Backbone interact. energy: -2.266
local terms energy: -699.623397
where:
bonds (distance) C4'-P energy: -126.315
bonds (distance) P-C4' energy: -124.969
flat angles C4'-P-C4' energy: -139.100
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -211.579
Dist. restrs. and SS energy: 5.584 (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: 153
Temperature: 1.150000
Total energy: -2255.419099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.419099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.233334 (E_RNA)
where:
Base-Base interactions energy: -1552.656
where: short stacking energy: -643.159
Base-Backbone interact. energy: -1.895
local terms energy: -715.682725
where:
bonds (distance) C4'-P energy: -141.647
bonds (distance) P-C4' energy: -136.199
flat angles C4'-P-C4' energy: -139.231
flat angles P-C4'-P energy: -105.081
tors. eta vs tors. theta energy: -193.525
Dist. restrs. and SS energy: 14.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2171.471246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.471246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.611484 (E_RNA)
where:
Base-Base interactions energy: -1512.863
where: short stacking energy: -619.863
Base-Backbone interact. energy: -1.413
local terms energy: -682.335396
where:
bonds (distance) C4'-P energy: -129.979
bonds (distance) P-C4' energy: -115.828
flat angles C4'-P-C4' energy: -157.221
flat angles P-C4'-P energy: -107.415
tors. eta vs tors. theta energy: -171.892
Dist. restrs. and SS energy: 25.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2105.742669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.742669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.514204 (E_RNA)
where:
Base-Base interactions energy: -1488.298
where: short stacking energy: -645.136
Base-Backbone interact. energy: -4.387
local terms energy: -626.829073
where:
bonds (distance) C4'-P energy: -127.585
bonds (distance) P-C4' energy: -114.980
flat angles C4'-P-C4' energy: -126.305
flat angles P-C4'-P energy: -67.574
tors. eta vs tors. theta energy: -190.385
Dist. restrs. and SS energy: 13.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -2003.409799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.409799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.610049 (E_RNA)
where:
Base-Base interactions energy: -1421.265
where: short stacking energy: -576.565
Base-Backbone interact. energy: -1.308
local terms energy: -601.037254
where:
bonds (distance) C4'-P energy: -111.675
bonds (distance) P-C4' energy: -121.584
flat angles C4'-P-C4' energy: -132.910
flat angles P-C4'-P energy: -93.417
tors. eta vs tors. theta energy: -141.451
Dist. restrs. and SS energy: 20.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1975.170799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.170799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.301215 (E_RNA)
where:
Base-Base interactions energy: -1411.990
where: short stacking energy: -601.832
Base-Backbone interact. energy: 1.588
local terms energy: -580.898847
where:
bonds (distance) C4'-P energy: -106.600
bonds (distance) P-C4' energy: -98.470
flat angles C4'-P-C4' energy: -131.213
flat angles P-C4'-P energy: -85.249
tors. eta vs tors. theta energy: -159.367
Dist. restrs. and SS energy: 16.130 (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: 154
Temperature: 0.900000
Total energy: -2795.683100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.683100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.905622 (E_RNA)
where:
Base-Base interactions energy: -1966.463
where: short stacking energy: -851.530
Base-Backbone interact. energy: -1.959
local terms energy: -831.483640
where:
bonds (distance) C4'-P energy: -142.272
bonds (distance) P-C4' energy: -150.215
flat angles C4'-P-C4' energy: -162.261
flat angles P-C4'-P energy: -121.529
tors. eta vs tors. theta energy: -255.206
Dist. restrs. and SS energy: 4.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2587.727581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.727581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.052571 (E_RNA)
where:
Base-Base interactions energy: -1802.729
where: short stacking energy: -783.689
Base-Backbone interact. energy: -6.754
local terms energy: -785.569658
where:
bonds (distance) C4'-P energy: -111.978
bonds (distance) P-C4' energy: -162.848
flat angles C4'-P-C4' energy: -166.751
flat angles P-C4'-P energy: -108.794
tors. eta vs tors. theta energy: -235.199
Dist. restrs. and SS energy: 7.325 (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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2600.426586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.426586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.833434 (E_RNA)
where:
Base-Base interactions energy: -1811.583
where: short stacking energy: -774.144
Base-Backbone interact. energy: -3.572
local terms energy: -793.679169
where:
bonds (distance) C4'-P energy: -140.487
bonds (distance) P-C4' energy: -155.595
flat angles C4'-P-C4' energy: -152.539
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -233.483
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2506.114551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.114551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.645049 (E_RNA)
where:
Base-Base interactions energy: -1738.978
where: short stacking energy: -738.824
Base-Backbone interact. energy: -3.776
local terms energy: -768.891675
where:
bonds (distance) C4'-P energy: -141.839
bonds (distance) P-C4' energy: -130.871
flat angles C4'-P-C4' energy: -164.819
flat angles P-C4'-P energy: -110.339
tors. eta vs tors. theta energy: -221.024
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2448.369683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.369683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.181394 (E_RNA)
where:
Base-Base interactions energy: -1774.135
where: short stacking energy: -740.678
Base-Backbone interact. energy: -1.497
local terms energy: -681.549495
where:
bonds (distance) C4'-P energy: -115.400
bonds (distance) P-C4' energy: -114.311
flat angles C4'-P-C4' energy: -151.643
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -210.974
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: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2300.458899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.458899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.683491 (E_RNA)
where:
Base-Base interactions energy: -1593.571
where: short stacking energy: -674.959
Base-Backbone interact. energy: -2.208
local terms energy: -716.904871
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -146.477
flat angles C4'-P-C4' energy: -145.709
flat angles P-C4'-P energy: -102.906
tors. eta vs tors. theta energy: -209.775
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2191.299166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.299166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.326412 (E_RNA)
where:
Base-Base interactions energy: -1537.786
where: short stacking energy: -656.774
Base-Backbone interact. energy: 0.133
local terms energy: -673.673802
where:
bonds (distance) C4'-P energy: -128.028
bonds (distance) P-C4' energy: -126.638
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -177.868
Dist. restrs. and SS energy: 20.027 (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: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2076.029362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.029362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.394162 (E_RNA)
where:
Base-Base interactions energy: -1489.133
where: short stacking energy: -618.045
Base-Backbone interact. energy: -2.509
local terms energy: -602.752231
where:
bonds (distance) C4'-P energy: -115.327
bonds (distance) P-C4' energy: -96.632
flat angles C4'-P-C4' energy: -149.217
flat angles P-C4'-P energy: -81.073
tors. eta vs tors. theta energy: -160.503
Dist. restrs. and SS energy: 18.365 (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: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -2036.100149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.100149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.329550 (E_RNA)
where:
Base-Base interactions energy: -1466.518
where: short stacking energy: -605.701
Base-Backbone interact. energy: 0.137
local terms energy: -585.947989
where:
bonds (distance) C4'-P energy: -93.659
bonds (distance) P-C4' energy: -118.884
flat angles C4'-P-C4' energy: -140.149
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -161.168
Dist. restrs. and SS energy: 16.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1953.742904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.742904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.854233 (E_RNA)
where:
Base-Base interactions energy: -1380.453
where: short stacking energy: -561.277
Base-Backbone interact. energy: 0.874
local terms energy: -589.275065
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -106.922
flat angles C4'-P-C4' energy: -139.945
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -166.180
Dist. restrs. and SS energy: 15.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2777.664532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.664532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.310538 (E_RNA)
where:
Base-Base interactions energy: -1947.562
where: short stacking energy: -839.800
Base-Backbone interact. energy: -3.865
local terms energy: -830.883343
where:
bonds (distance) C4'-P energy: -132.886
bonds (distance) P-C4' energy: -148.650
flat angles C4'-P-C4' energy: -181.844
flat angles P-C4'-P energy: -109.543
tors. eta vs tors. theta energy: -257.959
Dist. restrs. and SS energy: 4.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2633.426504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.426504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.939434 (E_RNA)
where:
Base-Base interactions energy: -1850.514
where: short stacking energy: -796.539
Base-Backbone interact. energy: -1.046
local terms energy: -792.379467
where:
bonds (distance) C4'-P energy: -121.714
bonds (distance) P-C4' energy: -149.978
flat angles C4'-P-C4' energy: -169.851
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -244.309
Dist. restrs. and SS energy: 10.513 (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: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2583.284396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.284396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.125488 (E_RNA)
where:
Base-Base interactions energy: -1817.243
where: short stacking energy: -777.038
Base-Backbone interact. energy: 2.988
local terms energy: -774.870391
where:
bonds (distance) C4'-P energy: -126.034
bonds (distance) P-C4' energy: -139.549
flat angles C4'-P-C4' energy: -169.286
flat angles P-C4'-P energy: -105.861
tors. eta vs tors. theta energy: -234.140
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2562.901488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.901488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.682426 (E_RNA)
where:
Base-Base interactions energy: -1803.959
where: short stacking energy: -746.385
Base-Backbone interact. energy: -1.289
local terms energy: -762.434077
where:
bonds (distance) C4'-P energy: -143.523
bonds (distance) P-C4' energy: -134.579
flat angles C4'-P-C4' energy: -164.719
flat angles P-C4'-P energy: -100.920
tors. eta vs tors. theta energy: -218.692
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2411.839698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.839698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.011392 (E_RNA)
where:
Base-Base interactions energy: -1720.560
where: short stacking energy: -708.826
Base-Backbone interact. energy: 1.557
local terms energy: -700.008428
where:
bonds (distance) C4'-P energy: -119.761
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -161.273
flat angles P-C4'-P energy: -90.344
tors. eta vs tors. theta energy: -212.749
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2301.817800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.817800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.418258 (E_RNA)
where:
Base-Base interactions energy: -1635.731
where: short stacking energy: -691.087
Base-Backbone interact. energy: -3.578
local terms energy: -680.108992
where:
bonds (distance) C4'-P energy: -124.394
bonds (distance) P-C4' energy: -123.664
flat angles C4'-P-C4' energy: -133.380
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -208.040
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: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2200.847938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.847938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.711702 (E_RNA)
where:
Base-Base interactions energy: -1546.507
where: short stacking energy: -668.229
Base-Backbone interact. energy: 1.628
local terms energy: -669.833110
where:
bonds (distance) C4'-P energy: -124.495
bonds (distance) P-C4' energy: -124.073
flat angles C4'-P-C4' energy: -144.819
flat angles P-C4'-P energy: -89.873
tors. eta vs tors. theta energy: -186.572
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: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2125.492916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.492916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.255102 (E_RNA)
where:
Base-Base interactions energy: -1513.476
where: short stacking energy: -603.086
Base-Backbone interact. energy: -3.464
local terms energy: -629.314358
where:
bonds (distance) C4'-P energy: -110.288
bonds (distance) P-C4' energy: -126.902
flat angles C4'-P-C4' energy: -126.984
flat angles P-C4'-P energy: -99.937
tors. eta vs tors. theta energy: -165.204
Dist. restrs. and SS energy: 20.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -2054.475201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.475201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.653246 (E_RNA)
where:
Base-Base interactions energy: -1443.487
where: short stacking energy: -615.850
Base-Backbone interact. energy: -2.849
local terms energy: -627.317396
where:
bonds (distance) C4'-P energy: -108.525
bonds (distance) P-C4' energy: -127.503
flat angles C4'-P-C4' energy: -147.585
flat angles P-C4'-P energy: -62.582
tors. eta vs tors. theta energy: -181.122
Dist. restrs. and SS energy: 19.178 (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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1947.756985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.756985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.697718 (E_RNA)
where:
Base-Base interactions energy: -1362.931
where: short stacking energy: -561.499
Base-Backbone interact. energy: -4.679
local terms energy: -596.088516
where:
bonds (distance) C4'-P energy: -116.369
bonds (distance) P-C4' energy: -114.585
flat angles C4'-P-C4' energy: -127.189
flat angles P-C4'-P energy: -81.757
tors. eta vs tors. theta energy: -156.189
Dist. restrs. and SS energy: 15.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2779.967738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.967738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.276897 (E_RNA)
where:
Base-Base interactions energy: -1962.922
where: short stacking energy: -859.735
Base-Backbone interact. energy: -4.062
local terms energy: -816.292641
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -137.511
flat angles C4'-P-C4' energy: -169.663
flat angles P-C4'-P energy: -119.371
tors. eta vs tors. theta energy: -259.427
Dist. restrs. and SS energy: 3.309 (S_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: 156
Temperature: 0.950000
Total energy: -2650.956779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.956779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.597859 (E_RNA)
where:
Base-Base interactions energy: -1855.591
where: short stacking energy: -780.873
Base-Backbone interact. energy: 0.304
local terms energy: -805.311108
where:
bonds (distance) C4'-P energy: -150.792
bonds (distance) P-C4' energy: -133.480
flat angles C4'-P-C4' energy: -172.668
flat angles P-C4'-P energy: -125.544
tors. eta vs tors. theta energy: -222.827
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2586.158264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.158264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.853913 (E_RNA)
where:
Base-Base interactions energy: -1840.916
where: short stacking energy: -772.838
Base-Backbone interact. energy: -1.303
local terms energy: -747.634035
where:
bonds (distance) C4'-P energy: -139.192
bonds (distance) P-C4' energy: -106.456
flat angles C4'-P-C4' energy: -162.821
flat angles P-C4'-P energy: -115.175
tors. eta vs tors. theta energy: -223.989
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2465.225582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.225582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.865629 (E_RNA)
where:
Base-Base interactions energy: -1731.758
where: short stacking energy: -750.747
Base-Backbone interact. energy: -2.159
local terms energy: -737.948096
where:
bonds (distance) C4'-P energy: -115.931
bonds (distance) P-C4' energy: -119.686
flat angles C4'-P-C4' energy: -173.890
flat angles P-C4'-P energy: -97.340
tors. eta vs tors. theta energy: -231.100
Dist. restrs. and SS energy: 6.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2413.179585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.179585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.655842 (E_RNA)
where:
Base-Base interactions energy: -1684.927
where: short stacking energy: -703.257
Base-Backbone interact. energy: -3.704
local terms energy: -731.025024
where:
bonds (distance) C4'-P energy: -131.862
bonds (distance) P-C4' energy: -132.343
flat angles C4'-P-C4' energy: -146.984
flat angles P-C4'-P energy: -106.289
tors. eta vs tors. theta energy: -213.546
Dist. restrs. and SS energy: 6.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2292.278331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.278331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.888738 (E_RNA)
where:
Base-Base interactions energy: -1632.430
where: short stacking energy: -691.253
Base-Backbone interact. energy: 0.104
local terms energy: -674.562633
where:
bonds (distance) C4'-P energy: -112.074
bonds (distance) P-C4' energy: -133.518
flat angles C4'-P-C4' energy: -158.025
flat angles P-C4'-P energy: -88.516
tors. eta vs tors. theta energy: -182.429
Dist. restrs. and SS energy: 14.610 (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: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2199.479467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.479467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.844953 (E_RNA)
where:
Base-Base interactions energy: -1534.703
where: short stacking energy: -627.895
Base-Backbone interact. energy: -1.103
local terms energy: -673.038920
where:
bonds (distance) C4'-P energy: -119.860
bonds (distance) P-C4' energy: -120.949
flat angles C4'-P-C4' energy: -150.347
flat angles P-C4'-P energy: -86.904
tors. eta vs tors. theta energy: -194.980
Dist. restrs. and SS energy: 9.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2089.092378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.092378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.886832 (E_RNA)
where:
Base-Base interactions energy: -1470.493
where: short stacking energy: -601.775
Base-Backbone interact. energy: -1.899
local terms energy: -632.494752
where:
bonds (distance) C4'-P energy: -109.825
bonds (distance) P-C4' energy: -123.106
flat angles C4'-P-C4' energy: -133.304
flat angles P-C4'-P energy: -92.817
tors. eta vs tors. theta energy: -173.443
Dist. restrs. and SS energy: 15.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2072.799039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.799039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.359269 (E_RNA)
where:
Base-Base interactions energy: -1451.840
where: short stacking energy: -607.755
Base-Backbone interact. energy: 1.653
local terms energy: -645.172594
where:
bonds (distance) C4'-P energy: -110.135
bonds (distance) P-C4' energy: -131.559
flat angles C4'-P-C4' energy: -138.237
flat angles P-C4'-P energy: -96.964
tors. eta vs tors. theta energy: -168.278
Dist. restrs. and SS energy: 22.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1975.654819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.654819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.360260 (E_RNA)
where:
Base-Base interactions energy: -1408.280
where: short stacking energy: -605.891
Base-Backbone interact. energy: 1.230
local terms energy: -584.310389
where:
bonds (distance) C4'-P energy: -117.961
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -128.931
flat angles P-C4'-P energy: -52.808
tors. eta vs tors. theta energy: -177.874
Dist. restrs. and SS energy: 15.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2756.015693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.015693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.970998 (E_RNA)
where:
Base-Base interactions energy: -1936.762
where: short stacking energy: -819.801
Base-Backbone interact. energy: -3.439
local terms energy: -818.770568
where:
bonds (distance) C4'-P energy: -130.936
bonds (distance) P-C4' energy: -146.953
flat angles C4'-P-C4' energy: -175.467
flat angles P-C4'-P energy: -112.706
tors. eta vs tors. theta energy: -252.709
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2675.430555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.430555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.144512 (E_RNA)
where:
Base-Base interactions energy: -1863.429
where: short stacking energy: -783.192
Base-Backbone interact. energy: -3.372
local terms energy: -818.343800
where:
bonds (distance) C4'-P energy: -141.171
bonds (distance) P-C4' energy: -144.521
flat angles C4'-P-C4' energy: -177.538
flat angles P-C4'-P energy: -118.179
tors. eta vs tors. theta energy: -236.935
Dist. restrs. and SS energy: 9.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2606.838606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.838606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.187045 (E_RNA)
where:
Base-Base interactions energy: -1847.670
where: short stacking energy: -758.222
Base-Backbone interact. energy: -5.958
local terms energy: -760.559106
where:
bonds (distance) C4'-P energy: -130.036
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -173.120
flat angles P-C4'-P energy: -108.415
tors. eta vs tors. theta energy: -225.118
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: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2471.074824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.074824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.463329 (E_RNA)
where:
Base-Base interactions energy: -1750.803
where: short stacking energy: -733.927
Base-Backbone interact. energy: -1.981
local terms energy: -727.679463
where:
bonds (distance) C4'-P energy: -118.588
bonds (distance) P-C4' energy: -124.012
flat angles C4'-P-C4' energy: -155.207
flat angles P-C4'-P energy: -110.177
tors. eta vs tors. theta energy: -219.695
Dist. restrs. and SS energy: 9.389 (S_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: 157
Temperature: 1.100000
Total energy: -2449.530199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.530199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.088596 (E_RNA)
where:
Base-Base interactions energy: -1718.473
where: short stacking energy: -732.526
Base-Backbone interact. energy: -3.763
local terms energy: -735.852319
where:
bonds (distance) C4'-P energy: -144.585
bonds (distance) P-C4' energy: -126.123
flat angles C4'-P-C4' energy: -149.527
flat angles P-C4'-P energy: -115.466
tors. eta vs tors. theta energy: -200.151
Dist. restrs. and SS energy: 8.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2280.198279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.198279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.846275 (E_RNA)
where:
Base-Base interactions energy: -1587.672
where: short stacking energy: -679.678
Base-Backbone interact. energy: -2.360
local terms energy: -704.813945
where:
bonds (distance) C4'-P energy: -123.361
bonds (distance) P-C4' energy: -128.808
flat angles C4'-P-C4' energy: -148.616
flat angles P-C4'-P energy: -101.840
tors. eta vs tors. theta energy: -202.189
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: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2254.386154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.386154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.368747 (E_RNA)
where:
Base-Base interactions energy: -1597.686
where: short stacking energy: -657.488
Base-Backbone interact. energy: -0.652
local terms energy: -667.030149
where:
bonds (distance) C4'-P energy: -105.749
bonds (distance) P-C4' energy: -132.114
flat angles C4'-P-C4' energy: -141.690
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -196.823
Dist. restrs. and SS energy: 10.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2155.287046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.287046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.540145 (E_RNA)
where:
Base-Base interactions energy: -1541.407
where: short stacking energy: -616.420
Base-Backbone interact. energy: -1.137
local terms energy: -634.995689
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -98.886
flat angles C4'-P-C4' energy: -129.149
flat angles P-C4'-P energy: -99.699
tors. eta vs tors. theta energy: -177.663
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: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -2044.924221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.924221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.825136 (E_RNA)
where:
Base-Base interactions energy: -1433.833
where: short stacking energy: -586.261
Base-Backbone interact. energy: -2.945
local terms energy: -621.047368
where:
bonds (distance) C4'-P energy: -101.632
bonds (distance) P-C4' energy: -133.878
flat angles C4'-P-C4' energy: -133.759
flat angles P-C4'-P energy: -81.213
tors. eta vs tors. theta energy: -170.566
Dist. restrs. and SS energy: 12.901 (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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1941.771902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.771902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.705489 (E_RNA)
where:
Base-Base interactions energy: -1402.814
where: short stacking energy: -569.760
Base-Backbone interact. energy: -3.680
local terms energy: -552.211186
where:
bonds (distance) C4'-P energy: -84.200
bonds (distance) P-C4' energy: -96.067
flat angles C4'-P-C4' energy: -126.004
flat angles P-C4'-P energy: -92.449
tors. eta vs tors. theta energy: -153.491
Dist. restrs. and SS energy: 16.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2794.730229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.730229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.479029 (E_RNA)
where:
Base-Base interactions energy: -1952.506
where: short stacking energy: -848.309
Base-Backbone interact. energy: -3.076
local terms energy: -842.896947
where:
bonds (distance) C4'-P energy: -136.555
bonds (distance) P-C4' energy: -157.432
flat angles C4'-P-C4' energy: -163.576
flat angles P-C4'-P energy: -127.897
tors. eta vs tors. theta energy: -257.436
Dist. restrs. and SS energy: 3.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2669.230468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.230468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.758455 (E_RNA)
where:
Base-Base interactions energy: -1872.731
where: short stacking energy: -777.322
Base-Backbone interact. energy: -3.960
local terms energy: -798.067195
where:
bonds (distance) C4'-P energy: -136.965
bonds (distance) P-C4' energy: -145.116
flat angles C4'-P-C4' energy: -175.716
flat angles P-C4'-P energy: -107.648
tors. eta vs tors. theta energy: -232.622
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2611.124516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.124516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.260879 (E_RNA)
where:
Base-Base interactions energy: -1837.354
where: short stacking energy: -764.712
Base-Backbone interact. energy: -4.202
local terms energy: -776.704184
where:
bonds (distance) C4'-P energy: -135.544
bonds (distance) P-C4' energy: -139.792
flat angles C4'-P-C4' energy: -167.311
flat angles P-C4'-P energy: -101.656
tors. eta vs tors. theta energy: -232.401
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: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2495.387820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.387820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.925955 (E_RNA)
where:
Base-Base interactions energy: -1759.780
where: short stacking energy: -733.410
Base-Backbone interact. energy: -2.685
local terms energy: -740.460936
where:
bonds (distance) C4'-P energy: -137.382
bonds (distance) P-C4' energy: -122.769
flat angles C4'-P-C4' energy: -161.829
flat angles P-C4'-P energy: -98.994
tors. eta vs tors. theta energy: -219.486
Dist. restrs. and SS energy: 7.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2407.228667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.228667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.620154 (E_RNA)
where:
Base-Base interactions energy: -1695.035
where: short stacking energy: -717.978
Base-Backbone interact. energy: -3.590
local terms energy: -715.995611
where:
bonds (distance) C4'-P energy: -130.881
bonds (distance) P-C4' energy: -131.691
flat angles C4'-P-C4' energy: -159.630
flat angles P-C4'-P energy: -86.719
tors. eta vs tors. theta energy: -207.074
Dist. restrs. and SS energy: 7.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2284.724747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.724747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.497897 (E_RNA)
where:
Base-Base interactions energy: -1601.289
where: short stacking energy: -661.994
Base-Backbone interact. energy: -2.409
local terms energy: -691.799880
where:
bonds (distance) C4'-P energy: -108.858
bonds (distance) P-C4' energy: -147.396
flat angles C4'-P-C4' energy: -150.322
flat angles P-C4'-P energy: -86.851
tors. eta vs tors. theta energy: -198.373
Dist. restrs. and SS energy: 10.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2228.824353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.824353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.153189 (E_RNA)
where:
Base-Base interactions energy: -1587.257
where: short stacking energy: -678.989
Base-Backbone interact. energy: -2.918
local terms energy: -647.977639
where:
bonds (distance) C4'-P energy: -112.163
bonds (distance) P-C4' energy: -121.299
flat angles C4'-P-C4' energy: -139.925
flat angles P-C4'-P energy: -90.693
tors. eta vs tors. theta energy: -183.898
Dist. restrs. and SS energy: 9.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2186.281695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.281695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.448972 (E_RNA)
where:
Base-Base interactions energy: -1552.478
where: short stacking energy: -642.323
Base-Backbone interact. energy: 1.573
local terms energy: -653.544095
where:
bonds (distance) C4'-P energy: -120.584
bonds (distance) P-C4' energy: -116.857
flat angles C4'-P-C4' energy: -129.603
flat angles P-C4'-P energy: -104.559
tors. eta vs tors. theta energy: -181.941
Dist. restrs. and SS energy: 18.167 (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: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -2055.665369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.665369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.565570 (E_RNA)
where:
Base-Base interactions energy: -1463.182
where: short stacking energy: -633.200
Base-Backbone interact. energy: -0.406
local terms energy: -613.977721
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -119.017
flat angles C4'-P-C4' energy: -133.163
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -176.277
Dist. restrs. and SS energy: 21.900 (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: 158
Temperature: 1.350000
Total energy: -1926.845217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.845217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.824113 (E_RNA)
where:
Base-Base interactions energy: -1366.787
where: short stacking energy: -531.884
Base-Backbone interact. energy: 2.187
local terms energy: -586.224426
where:
bonds (distance) C4'-P energy: -110.351
bonds (distance) P-C4' energy: -108.574
flat angles C4'-P-C4' energy: -124.481
flat angles P-C4'-P energy: -88.118
tors. eta vs tors. theta energy: -154.700
Dist. restrs. and SS energy: 23.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2815.002238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.002238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.218929 (E_RNA)
where:
Base-Base interactions energy: -1979.574
where: short stacking energy: -848.695
Base-Backbone interact. energy: -3.502
local terms energy: -834.142914
where:
bonds (distance) C4'-P energy: -140.873
bonds (distance) P-C4' energy: -146.874
flat angles C4'-P-C4' energy: -172.954
flat angles P-C4'-P energy: -122.213
tors. eta vs tors. theta energy: -251.229
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2650.909476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.909476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.949452 (E_RNA)
where:
Base-Base interactions energy: -1881.288
where: short stacking energy: -763.225
Base-Backbone interact. energy: -2.295
local terms energy: -774.366961
where:
bonds (distance) C4'-P energy: -146.020
bonds (distance) P-C4' energy: -135.448
flat angles C4'-P-C4' energy: -168.154
flat angles P-C4'-P energy: -100.957
tors. eta vs tors. theta energy: -223.788
Dist. restrs. and SS energy: 7.040 (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: 159
Temperature: 1.000000
Total energy: -2622.135969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.135969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.499806 (E_RNA)
where:
Base-Base interactions energy: -1843.507
where: short stacking energy: -781.041
Base-Backbone interact. energy: -6.730
local terms energy: -781.263010
where:
bonds (distance) C4'-P energy: -136.132
bonds (distance) P-C4' energy: -138.868
flat angles C4'-P-C4' energy: -164.681
flat angles P-C4'-P energy: -107.028
tors. eta vs tors. theta energy: -234.555
Dist. restrs. and SS energy: 9.364 (S_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: 159
Temperature: 1.050000
Total energy: -2511.395223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.395223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.850828 (E_RNA)
where:
Base-Base interactions energy: -1768.061
where: short stacking energy: -750.485
Base-Backbone interact. energy: -3.292
local terms energy: -750.497908
where:
bonds (distance) C4'-P energy: -125.881
bonds (distance) P-C4' energy: -138.673
flat angles C4'-P-C4' energy: -152.180
flat angles P-C4'-P energy: -99.493
tors. eta vs tors. theta energy: -234.271
Dist. restrs. and SS energy: 10.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2384.801779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.801779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.735645 (E_RNA)
where:
Base-Base interactions energy: -1670.555
where: short stacking energy: -700.768
Base-Backbone interact. energy: -4.311
local terms energy: -722.870124
where:
bonds (distance) C4'-P energy: -133.330
bonds (distance) P-C4' energy: -129.455
flat angles C4'-P-C4' energy: -162.086
flat angles P-C4'-P energy: -94.904
tors. eta vs tors. theta energy: -203.095
Dist. restrs. and SS energy: 12.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2265.328083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.328083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.386856 (E_RNA)
where:
Base-Base interactions energy: -1577.236
where: short stacking energy: -640.646
Base-Backbone interact. energy: -1.694
local terms energy: -694.457157
where:
bonds (distance) C4'-P energy: -127.698
bonds (distance) P-C4' energy: -110.961
flat angles C4'-P-C4' energy: -159.174
flat angles P-C4'-P energy: -105.485
tors. eta vs tors. theta energy: -191.138
Dist. restrs. and SS energy: 8.059 (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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2250.759864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.759864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.805518 (E_RNA)
where:
Base-Base interactions energy: -1556.225
where: short stacking energy: -663.185
Base-Backbone interact. energy: 1.840
local terms energy: -704.420502
where:
bonds (distance) C4'-P energy: -116.883
bonds (distance) P-C4' energy: -120.733
flat angles C4'-P-C4' energy: -146.980
flat angles P-C4'-P energy: -120.190
tors. eta vs tors. theta energy: -199.634
Dist. restrs. and SS energy: 8.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2147.736751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.736751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.645739 (E_RNA)
where:
Base-Base interactions energy: -1532.899
where: short stacking energy: -622.229
Base-Backbone interact. energy: -7.135
local terms energy: -620.611553
where:
bonds (distance) C4'-P energy: -113.519
bonds (distance) P-C4' energy: -107.825
flat angles C4'-P-C4' energy: -146.613
flat angles P-C4'-P energy: -84.275
tors. eta vs tors. theta energy: -168.380
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: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2068.165165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.165165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.985598 (E_RNA)
where:
Base-Base interactions energy: -1467.442
where: short stacking energy: -606.572
Base-Backbone interact. energy: -2.870
local terms energy: -618.674199
where:
bonds (distance) C4'-P energy: -105.932
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -146.065
flat angles P-C4'-P energy: -75.652
tors. eta vs tors. theta energy: -174.969
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: 159
Temperature: 1.350000
Total energy: -1953.367578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.367578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.430733 (E_RNA)
where:
Base-Base interactions energy: -1382.277
where: short stacking energy: -565.134
Base-Backbone interact. energy: -0.170
local terms energy: -599.982929
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -143.007
flat angles C4'-P-C4' energy: -119.072
flat angles P-C4'-P energy: -59.636
tors. eta vs tors. theta energy: -158.864
Dist. restrs. and SS energy: 29.063 (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: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2787.706125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.706125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.676467 (E_RNA)
where:
Base-Base interactions energy: -1964.139
where: short stacking energy: -849.674
Base-Backbone interact. energy: -2.968
local terms energy: -824.568994
where:
bonds (distance) C4'-P energy: -136.945
bonds (distance) P-C4' energy: -148.068
flat angles C4'-P-C4' energy: -172.919
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -257.536
Dist. restrs. and SS energy: 3.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2651.331547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.331547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.194430 (E_RNA)
where:
Base-Base interactions energy: -1860.068
where: short stacking energy: -783.089
Base-Backbone interact. energy: -0.061
local terms energy: -803.065550
where:
bonds (distance) C4'-P energy: -123.282
bonds (distance) P-C4' energy: -156.149
flat angles C4'-P-C4' energy: -168.387
flat angles P-C4'-P energy: -123.750
tors. eta vs tors. theta energy: -231.497
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: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2630.724920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.724920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.566235 (E_RNA)
where:
Base-Base interactions energy: -1846.898
where: short stacking energy: -757.396
Base-Backbone interact. energy: -2.180
local terms energy: -788.487866
where:
bonds (distance) C4'-P energy: -147.489
bonds (distance) P-C4' energy: -135.307
flat angles C4'-P-C4' energy: -164.367
flat angles P-C4'-P energy: -108.143
tors. eta vs tors. theta energy: -233.182
Dist. restrs. and SS energy: 6.841 (S_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: 160
Temperature: 1.050000
Total energy: -2476.708936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.708936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.334852 (E_RNA)
where:
Base-Base interactions energy: -1728.674
where: short stacking energy: -747.277
Base-Backbone interact. energy: -4.078
local terms energy: -754.582708
where:
bonds (distance) C4'-P energy: -127.204
bonds (distance) P-C4' energy: -131.471
flat angles C4'-P-C4' energy: -164.630
flat angles P-C4'-P energy: -102.077
tors. eta vs tors. theta energy: -229.202
Dist. restrs. and SS energy: 10.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2395.514115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.514115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.821814 (E_RNA)
where:
Base-Base interactions energy: -1695.603
where: short stacking energy: -719.705
Base-Backbone interact. energy: -3.368
local terms energy: -704.850465
where:
bonds (distance) C4'-P energy: -116.502
bonds (distance) P-C4' energy: -135.327
flat angles C4'-P-C4' energy: -143.711
flat angles P-C4'-P energy: -104.185
tors. eta vs tors. theta energy: -205.125
Dist. restrs. and SS energy: 8.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2255.616720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.616720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.712955 (E_RNA)
where:
Base-Base interactions energy: -1590.889
where: short stacking energy: -687.754
Base-Backbone interact. energy: -1.980
local terms energy: -675.844194
where:
bonds (distance) C4'-P energy: -113.707
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -152.799
flat angles P-C4'-P energy: -99.909
tors. eta vs tors. theta energy: -194.967
Dist. restrs. and SS energy: 13.096 (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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2241.850950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.850950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.724118 (E_RNA)
where:
Base-Base interactions energy: -1583.629
where: short stacking energy: -668.341
Base-Backbone interact. energy: -2.003
local terms energy: -667.092083
where:
bonds (distance) C4'-P energy: -111.743
bonds (distance) P-C4' energy: -118.912
flat angles C4'-P-C4' energy: -151.278
flat angles P-C4'-P energy: -87.250
tors. eta vs tors. theta energy: -197.910
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: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2105.146499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.146499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.466249 (E_RNA)
where:
Base-Base interactions energy: -1505.102
where: short stacking energy: -624.099
Base-Backbone interact. energy: 0.204
local terms energy: -615.568116
where:
bonds (distance) C4'-P energy: -114.123
bonds (distance) P-C4' energy: -120.211
flat angles C4'-P-C4' energy: -128.761
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: -169.294
Dist. restrs. and SS energy: 15.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -2012.033128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.033128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.646384 (E_RNA)
where:
Base-Base interactions energy: -1414.671
where: short stacking energy: -587.206
Base-Backbone interact. energy: -0.110
local terms energy: -612.865297
where:
bonds (distance) C4'-P energy: -98.564
bonds (distance) P-C4' energy: -121.095
flat angles C4'-P-C4' energy: -136.598
flat angles P-C4'-P energy: -94.212
tors. eta vs tors. theta energy: -162.396
Dist. restrs. and SS energy: 15.613 (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: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -2010.304012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.304012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.508700 (E_RNA)
where:
Base-Base interactions energy: -1416.123
where: short stacking energy: -607.815
Base-Backbone interact. energy: -1.435
local terms energy: -605.950875
where:
bonds (distance) C4'-P energy: -96.308
bonds (distance) P-C4' energy: -118.081
flat angles C4'-P-C4' energy: -128.758
flat angles P-C4'-P energy: -89.311
tors. eta vs tors. theta energy: -173.494
Dist. restrs. and SS energy: 13.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2785.207882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.207882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.754058 (E_RNA)
where:
Base-Base interactions energy: -1954.208
where: short stacking energy: -825.869
Base-Backbone interact. energy: -3.315
local terms energy: -831.231937
where:
bonds (distance) C4'-P energy: -152.763
bonds (distance) P-C4' energy: -141.152
flat angles C4'-P-C4' energy: -173.036
flat angles P-C4'-P energy: -106.368
tors. eta vs tors. theta energy: -257.913
Dist. restrs. and SS energy: 3.546 (S_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: 161
Temperature: 0.950000
Total energy: -2667.897389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.897389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.579143 (E_RNA)
where:
Base-Base interactions energy: -1864.795
where: short stacking energy: -805.322
Base-Backbone interact. energy: -2.739
local terms energy: -811.045517
where:
bonds (distance) C4'-P energy: -140.466
bonds (distance) P-C4' energy: -151.376
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -108.006
tors. eta vs tors. theta energy: -236.870
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: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2630.317755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.317755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.301217 (E_RNA)
where:
Base-Base interactions energy: -1852.270
where: short stacking energy: -789.630
Base-Backbone interact. energy: -3.187
local terms energy: -782.843504
where:
bonds (distance) C4'-P energy: -125.005
bonds (distance) P-C4' energy: -150.762
flat angles C4'-P-C4' energy: -174.141
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -235.521
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2496.803527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.803527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.253098 (E_RNA)
where:
Base-Base interactions energy: -1734.130
where: short stacking energy: -757.218
Base-Backbone interact. energy: -4.564
local terms energy: -766.559550
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -146.048
flat angles C4'-P-C4' energy: -147.791
flat angles P-C4'-P energy: -109.884
tors. eta vs tors. theta energy: -226.600
Dist. restrs. and SS energy: 8.450 (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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2390.485774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.485774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.778943 (E_RNA)
where:
Base-Base interactions energy: -1674.025
where: short stacking energy: -726.738
Base-Backbone interact. energy: -4.073
local terms energy: -722.680225
where:
bonds (distance) C4'-P energy: -123.422
bonds (distance) P-C4' energy: -124.031
flat angles C4'-P-C4' energy: -147.939
flat angles P-C4'-P energy: -100.624
tors. eta vs tors. theta energy: -226.665
Dist. restrs. and SS energy: 10.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2280.039415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.039415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.313271 (E_RNA)
where:
Base-Base interactions energy: -1609.601
where: short stacking energy: -660.558
Base-Backbone interact. energy: 1.141
local terms energy: -682.853141
where:
bonds (distance) C4'-P energy: -128.126
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -151.941
flat angles P-C4'-P energy: -89.380
tors. eta vs tors. theta energy: -186.501
Dist. restrs. and SS energy: 11.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2286.111211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.111211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.583964 (E_RNA)
where:
Base-Base interactions energy: -1622.550
where: short stacking energy: -674.227
Base-Backbone interact. energy: -3.925
local terms energy: -670.108733
where:
bonds (distance) C4'-P energy: -125.998
bonds (distance) P-C4' energy: -136.846
flat angles C4'-P-C4' energy: -139.626
flat angles P-C4'-P energy: -73.032
tors. eta vs tors. theta energy: -194.607
Dist. restrs. and SS energy: 10.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2160.432466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.432466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.463708 (E_RNA)
where:
Base-Base interactions energy: -1521.742
where: short stacking energy: -634.718
Base-Backbone interact. energy: -2.548
local terms energy: -656.174017
where:
bonds (distance) C4'-P energy: -131.040
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -146.606
flat angles P-C4'-P energy: -78.624
tors. eta vs tors. theta energy: -189.856
Dist. restrs. and SS energy: 20.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -2011.684802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.684802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.448390 (E_RNA)
where:
Base-Base interactions energy: -1408.243
where: short stacking energy: -587.406
Base-Backbone interact. energy: -0.274
local terms energy: -615.932167
where:
bonds (distance) C4'-P energy: -124.673
bonds (distance) P-C4' energy: -99.037
flat angles C4'-P-C4' energy: -146.393
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -175.549
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: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1955.700398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.700398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.544118 (E_RNA)
where:
Base-Base interactions energy: -1405.999
where: short stacking energy: -576.814
Base-Backbone interact. energy: 13.125
local terms energy: -583.669986
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -104.267
flat angles C4'-P-C4' energy: -132.880
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -149.216
Dist. restrs. and SS energy: 20.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2828.973536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.973536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.287868 (E_RNA)
where:
Base-Base interactions energy: -1988.713
where: short stacking energy: -841.187
Base-Backbone interact. energy: -1.137
local terms energy: -842.438196
where:
bonds (distance) C4'-P energy: -156.423
bonds (distance) P-C4' energy: -149.978
flat angles C4'-P-C4' energy: -167.282
flat angles P-C4'-P energy: -117.861
tors. eta vs tors. theta energy: -250.894
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: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2662.565453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.565453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.397118 (E_RNA)
where:
Base-Base interactions energy: -1881.746
where: short stacking energy: -795.288
Base-Backbone interact. energy: 0.440
local terms energy: -792.091641
where:
bonds (distance) C4'-P energy: -145.240
bonds (distance) P-C4' energy: -148.728
flat angles C4'-P-C4' energy: -164.815
flat angles P-C4'-P energy: -100.335
tors. eta vs tors. theta energy: -232.974
Dist. restrs. and SS energy: 10.832 (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: 162
Temperature: 1.000000
Total energy: -2597.505178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.505178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.833127 (E_RNA)
where:
Base-Base interactions energy: -1832.076
where: short stacking energy: -777.635
Base-Backbone interact. energy: -2.156
local terms energy: -768.601338
where:
bonds (distance) C4'-P energy: -135.830
bonds (distance) P-C4' energy: -135.762
flat angles C4'-P-C4' energy: -172.097
flat angles P-C4'-P energy: -92.315
tors. eta vs tors. theta energy: -232.597
Dist. restrs. and SS energy: 5.328 (S_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: 162
Temperature: 1.050000
Total energy: -2506.132923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.132923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.105042 (E_RNA)
where:
Base-Base interactions energy: -1723.573
where: short stacking energy: -735.498
Base-Backbone interact. energy: -4.483
local terms energy: -783.048921
where:
bonds (distance) C4'-P energy: -143.132
bonds (distance) P-C4' energy: -138.898
flat angles C4'-P-C4' energy: -154.788
flat angles P-C4'-P energy: -110.562
tors. eta vs tors. theta energy: -235.669
Dist. restrs. and SS energy: 4.972 (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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2421.435570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.435570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.114202 (E_RNA)
where:
Base-Base interactions energy: -1724.310
where: short stacking energy: -703.455
Base-Backbone interact. energy: -3.509
local terms energy: -704.295194
where:
bonds (distance) C4'-P energy: -120.228
bonds (distance) P-C4' energy: -132.038
flat angles C4'-P-C4' energy: -154.896
flat angles P-C4'-P energy: -86.187
tors. eta vs tors. theta energy: -210.946
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: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2324.023706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.023706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.316000 (E_RNA)
where:
Base-Base interactions energy: -1619.763
where: short stacking energy: -678.052
Base-Backbone interact. energy: -1.740
local terms energy: -719.813106
where:
bonds (distance) C4'-P energy: -135.622
bonds (distance) P-C4' energy: -132.726
flat angles C4'-P-C4' energy: -149.341
flat angles P-C4'-P energy: -99.231
tors. eta vs tors. theta energy: -202.892
Dist. restrs. and SS energy: 17.292 (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: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2285.343624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.343624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.050455 (E_RNA)
where:
Base-Base interactions energy: -1604.429
where: short stacking energy: -668.274
Base-Backbone interact. energy: -1.299
local terms energy: -695.322482
where:
bonds (distance) C4'-P energy: -112.646
bonds (distance) P-C4' energy: -130.616
flat angles C4'-P-C4' energy: -150.780
flat angles P-C4'-P energy: -97.232
tors. eta vs tors. theta energy: -204.048
Dist. restrs. and SS energy: 15.707 (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: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2152.254080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.254080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.032005 (E_RNA)
where:
Base-Base interactions energy: -1530.752
where: short stacking energy: -642.720
Base-Backbone interact. energy: 1.007
local terms energy: -632.286358
where:
bonds (distance) C4'-P energy: -128.343
bonds (distance) P-C4' energy: -107.607
flat angles C4'-P-C4' energy: -135.052
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -170.292
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: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -2025.989267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.989267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.172096 (E_RNA)
where:
Base-Base interactions energy: -1419.970
where: short stacking energy: -577.586
Base-Backbone interact. energy: -3.590
local terms energy: -618.611846
where:
bonds (distance) C4'-P energy: -114.053
bonds (distance) P-C4' energy: -119.746
flat angles C4'-P-C4' energy: -118.942
flat angles P-C4'-P energy: -93.027
tors. eta vs tors. theta energy: -172.844
Dist. restrs. and SS energy: 16.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1982.151312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.151312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.053966 (E_RNA)
where:
Base-Base interactions energy: -1409.303
where: short stacking energy: -590.223
Base-Backbone interact. energy: 0.365
local terms energy: -595.115866
where:
bonds (distance) C4'-P energy: -99.276
bonds (distance) P-C4' energy: -108.500
flat angles C4'-P-C4' energy: -137.311
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -177.313
Dist. restrs. and SS energy: 21.903 (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: 163
Temperature: 0.900000
Total energy: -2816.053041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.053041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.955832 (E_RNA)
where:
Base-Base interactions energy: -1988.658
where: short stacking energy: -814.865
Base-Backbone interact. energy: -0.923
local terms energy: -828.375014
where:
bonds (distance) C4'-P energy: -139.937
bonds (distance) P-C4' energy: -148.293
flat angles C4'-P-C4' energy: -171.669
flat angles P-C4'-P energy: -117.835
tors. eta vs tors. theta energy: -250.641
Dist. restrs. and SS energy: 1.903 (S_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: 163
Temperature: 0.950000
Total energy: -2657.016583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.016583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.058440 (E_RNA)
where:
Base-Base interactions energy: -1888.029
where: short stacking energy: -801.310
Base-Backbone interact. energy: -1.835
local terms energy: -776.193713
where:
bonds (distance) C4'-P energy: -129.264
bonds (distance) P-C4' energy: -140.541
flat angles C4'-P-C4' energy: -166.393
flat angles P-C4'-P energy: -105.519
tors. eta vs tors. theta energy: -234.476
Dist. restrs. and SS energy: 9.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2586.314267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.314267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.466827 (E_RNA)
where:
Base-Base interactions energy: -1830.203
where: short stacking energy: -732.371
Base-Backbone interact. energy: -5.589
local terms energy: -756.675541
where:
bonds (distance) C4'-P energy: -135.981
bonds (distance) P-C4' energy: -133.770
flat angles C4'-P-C4' energy: -159.912
flat angles P-C4'-P energy: -111.725
tors. eta vs tors. theta energy: -215.287
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: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2562.590977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.590977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.488405 (E_RNA)
where:
Base-Base interactions energy: -1805.679
where: short stacking energy: -752.043
Base-Backbone interact. energy: 0.122
local terms energy: -763.931495
where:
bonds (distance) C4'-P energy: -131.376
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -160.476
flat angles P-C4'-P energy: -102.587
tors. eta vs tors. theta energy: -231.833
Dist. restrs. and SS energy: 6.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2393.246929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.246929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.482308 (E_RNA)
where:
Base-Base interactions energy: -1680.265
where: short stacking energy: -710.278
Base-Backbone interact. energy: 0.743
local terms energy: -724.960226
where:
bonds (distance) C4'-P energy: -133.366
bonds (distance) P-C4' energy: -125.952
flat angles C4'-P-C4' energy: -159.144
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -211.081
Dist. restrs. and SS energy: 11.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2291.984345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.984345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.729538 (E_RNA)
where:
Base-Base interactions energy: -1588.985
where: short stacking energy: -676.322
Base-Backbone interact. energy: -1.600
local terms energy: -713.145339
where:
bonds (distance) C4'-P energy: -127.330
bonds (distance) P-C4' energy: -124.707
flat angles C4'-P-C4' energy: -154.786
flat angles P-C4'-P energy: -110.516
tors. eta vs tors. theta energy: -195.806
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2259.374835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.374835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.169448 (E_RNA)
where:
Base-Base interactions energy: -1566.087
where: short stacking energy: -640.947
Base-Backbone interact. energy: 1.435
local terms energy: -709.517199
where:
bonds (distance) C4'-P energy: -128.855
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -139.199
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -205.149
Dist. restrs. and SS energy: 14.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2102.750891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.750891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.129984 (E_RNA)
where:
Base-Base interactions energy: -1501.155
where: short stacking energy: -607.669
Base-Backbone interact. energy: -2.750
local terms energy: -612.225105
where:
bonds (distance) C4'-P energy: -122.068
bonds (distance) P-C4' energy: -111.204
flat angles C4'-P-C4' energy: -129.113
flat angles P-C4'-P energy: -76.310
tors. eta vs tors. theta energy: -173.530
Dist. restrs. and SS energy: 13.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2067.810182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.810182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.528570 (E_RNA)
where:
Base-Base interactions energy: -1482.400
where: short stacking energy: -625.536
Base-Backbone interact. energy: 0.090
local terms energy: -600.218310
where:
bonds (distance) C4'-P energy: -104.624
bonds (distance) P-C4' energy: -100.733
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -179.934
Dist. restrs. and SS energy: 14.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1907.298226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.298226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.505574 (E_RNA)
where:
Base-Base interactions energy: -1339.931
where: short stacking energy: -524.775
Base-Backbone interact. energy: -2.663
local terms energy: -582.910953
where:
bonds (distance) C4'-P energy: -119.251
bonds (distance) P-C4' energy: -121.783
flat angles C4'-P-C4' energy: -115.195
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -154.571
Dist. restrs. and SS energy: 18.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2794.326716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.326716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.393684 (E_RNA)
where:
Base-Base interactions energy: -1959.713
where: short stacking energy: -840.808
Base-Backbone interact. energy: 0.790
local terms energy: -837.471231
where:
bonds (distance) C4'-P energy: -135.418
bonds (distance) P-C4' energy: -146.025
flat angles C4'-P-C4' energy: -179.065
flat angles P-C4'-P energy: -114.956
tors. eta vs tors. theta energy: -262.008
Dist. restrs. and SS energy: 2.067 (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: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2655.975213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.975213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.924046 (E_RNA)
where:
Base-Base interactions energy: -1860.120
where: short stacking energy: -776.480
Base-Backbone interact. energy: -2.226
local terms energy: -802.578042
where:
bonds (distance) C4'-P energy: -132.134
bonds (distance) P-C4' energy: -135.960
flat angles C4'-P-C4' energy: -176.683
flat angles P-C4'-P energy: -118.122
tors. eta vs tors. theta energy: -239.679
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: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2606.387614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.387614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.169079 (E_RNA)
where:
Base-Base interactions energy: -1836.589
where: short stacking energy: -754.018
Base-Backbone interact. energy: -0.913
local terms energy: -773.666991
where:
bonds (distance) C4'-P energy: -137.635
bonds (distance) P-C4' energy: -133.131
flat angles C4'-P-C4' energy: -154.033
flat angles P-C4'-P energy: -108.366
tors. eta vs tors. theta energy: -240.502
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2513.889823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.889823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.858386 (E_RNA)
where:
Base-Base interactions energy: -1760.623
where: short stacking energy: -739.370
Base-Backbone interact. energy: -6.195
local terms energy: -755.040373
where:
bonds (distance) C4'-P energy: -147.614
bonds (distance) P-C4' energy: -122.534
flat angles C4'-P-C4' energy: -167.820
flat angles P-C4'-P energy: -98.297
tors. eta vs tors. theta energy: -218.775
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: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2400.199890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.199890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.133221 (E_RNA)
where:
Base-Base interactions energy: -1680.569
where: short stacking energy: -700.367
Base-Backbone interact. energy: -1.261
local terms energy: -726.302833
where:
bonds (distance) C4'-P energy: -145.093
bonds (distance) P-C4' energy: -123.679
flat angles C4'-P-C4' energy: -151.005
flat angles P-C4'-P energy: -97.463
tors. eta vs tors. theta energy: -209.063
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: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2323.310400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.310400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.990806 (E_RNA)
where:
Base-Base interactions energy: -1619.853
where: short stacking energy: -701.022
Base-Backbone interact. energy: -5.174
local terms energy: -709.964619
where:
bonds (distance) C4'-P energy: -112.868
bonds (distance) P-C4' energy: -126.652
flat angles C4'-P-C4' energy: -162.749
flat angles P-C4'-P energy: -93.443
tors. eta vs tors. theta energy: -214.253
Dist. restrs. and SS energy: 11.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2231.076558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.076558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.855487 (E_RNA)
where:
Base-Base interactions energy: -1573.361
where: short stacking energy: -650.137
Base-Backbone interact. energy: -2.650
local terms energy: -667.844042
where:
bonds (distance) C4'-P energy: -127.628
bonds (distance) P-C4' energy: -110.400
flat angles C4'-P-C4' energy: -133.971
flat angles P-C4'-P energy: -95.773
tors. eta vs tors. theta energy: -200.072
Dist. restrs. and SS energy: 12.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2067.853509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.853509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.853494 (E_RNA)
where:
Base-Base interactions energy: -1456.339
where: short stacking energy: -597.899
Base-Backbone interact. energy: 1.642
local terms energy: -637.156510
where:
bonds (distance) C4'-P energy: -119.957
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -133.434
flat angles P-C4'-P energy: -89.057
tors. eta vs tors. theta energy: -175.292
Dist. restrs. and SS energy: 24.000 (S_DIST_RNA)
chem. 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: -2043.998141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.998141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.373139 (E_RNA)
where:
Base-Base interactions energy: -1427.566
where: short stacking energy: -593.792
Base-Backbone interact. energy: -0.511
local terms energy: -633.296073
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -124.141
flat angles C4'-P-C4' energy: -148.722
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -182.479
Dist. restrs. and SS energy: 17.375 (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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1956.310508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.310508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.158445 (E_RNA)
where:
Base-Base interactions energy: -1357.958
where: short stacking energy: -559.613
Base-Backbone interact. energy: -1.626
local terms energy: -613.574918
where:
bonds (distance) C4'-P energy: -118.635
bonds (distance) P-C4' energy: -125.364
flat angles C4'-P-C4' energy: -132.044
flat angles P-C4'-P energy: -77.734
tors. eta vs tors. theta energy: -159.797
Dist. restrs. and SS energy: 16.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2847.536869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.536869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.188152 (E_RNA)
where:
Base-Base interactions energy: -2006.215
where: short stacking energy: -859.499
Base-Backbone interact. energy: -2.529
local terms energy: -841.444527
where:
bonds (distance) C4'-P energy: -155.402
bonds (distance) P-C4' energy: -140.865
flat angles C4'-P-C4' energy: -171.209
flat angles P-C4'-P energy: -114.577
tors. eta vs tors. theta energy: -259.391
Dist. restrs. and SS energy: 2.651 (S_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: 165
Temperature: 0.950000
Total energy: -2651.598937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.598937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.950631 (E_RNA)
where:
Base-Base interactions energy: -1869.853
where: short stacking energy: -812.111
Base-Backbone interact. energy: -0.778
local terms energy: -789.319005
where:
bonds (distance) C4'-P energy: -138.701
bonds (distance) P-C4' energy: -147.957
flat angles C4'-P-C4' energy: -169.275
flat angles P-C4'-P energy: -103.592
tors. eta vs tors. theta energy: -229.793
Dist. restrs. and SS energy: 8.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2579.322286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.322286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.469992 (E_RNA)
where:
Base-Base interactions energy: -1817.818
where: short stacking energy: -761.610
Base-Backbone interact. energy: -0.799
local terms energy: -769.852911
where:
bonds (distance) C4'-P energy: -131.784
bonds (distance) P-C4' energy: -128.679
flat angles C4'-P-C4' energy: -170.317
flat angles P-C4'-P energy: -109.532
tors. eta vs tors. theta energy: -229.541
Dist. restrs. and SS energy: 9.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2479.064132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.064132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.219435 (E_RNA)
where:
Base-Base interactions energy: -1732.873
where: short stacking energy: -759.298
Base-Backbone interact. energy: -2.789
local terms energy: -754.557761
where:
bonds (distance) C4'-P energy: -144.052
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -166.090
flat angles P-C4'-P energy: -100.259
tors. eta vs tors. theta energy: -223.812
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: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2457.148544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.148544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.350588 (E_RNA)
where:
Base-Base interactions energy: -1723.216
where: short stacking energy: -706.749
Base-Backbone interact. energy: 1.094
local terms energy: -743.228679
where:
bonds (distance) C4'-P energy: -126.856
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -164.707
flat angles P-C4'-P energy: -103.513
tors. eta vs tors. theta energy: -223.181
Dist. restrs. and SS energy: 8.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2287.004422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.004422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.710868 (E_RNA)
where:
Base-Base interactions energy: -1597.094
where: short stacking energy: -684.638
Base-Backbone interact. energy: -4.415
local terms energy: -694.201966
where:
bonds (distance) C4'-P energy: -116.688
bonds (distance) P-C4' energy: -125.989
flat angles C4'-P-C4' energy: -157.383
flat angles P-C4'-P energy: -95.229
tors. eta vs tors. theta energy: -198.913
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: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2233.797223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.797223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.911003 (E_RNA)
where:
Base-Base interactions energy: -1569.399
where: short stacking energy: -651.042
Base-Backbone interact. energy: 0.652
local terms energy: -676.164156
where:
bonds (distance) C4'-P energy: -136.805
bonds (distance) P-C4' energy: -124.041
flat angles C4'-P-C4' energy: -123.044
flat angles P-C4'-P energy: -106.095
tors. eta vs tors. theta energy: -186.178
Dist. restrs. and SS energy: 11.114 (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: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2073.990283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.990283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.243688 (E_RNA)
where:
Base-Base interactions energy: -1454.199
where: short stacking energy: -604.711
Base-Backbone interact. energy: -2.542
local terms energy: -633.502496
where:
bonds (distance) C4'-P energy: -127.516
bonds (distance) P-C4' energy: -115.740
flat angles C4'-P-C4' energy: -133.620
flat angles P-C4'-P energy: -88.876
tors. eta vs tors. theta energy: -167.750
Dist. restrs. and SS energy: 16.253 (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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -2020.550438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.550438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.754167 (E_RNA)
where:
Base-Base interactions energy: -1461.231
where: short stacking energy: -598.424
Base-Backbone interact. energy: -0.977
local terms energy: -572.545992
where:
bonds (distance) C4'-P energy: -122.893
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -120.212
flat angles P-C4'-P energy: -66.319
tors. eta vs tors. theta energy: -169.469
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: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1960.551149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.551149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.857566 (E_RNA)
where:
Base-Base interactions energy: -1384.316
where: short stacking energy: -575.668
Base-Backbone interact. energy: 2.513
local terms energy: -597.054624
where:
bonds (distance) C4'-P energy: -93.365
bonds (distance) P-C4' energy: -131.240
flat angles C4'-P-C4' energy: -132.545
flat angles P-C4'-P energy: -61.836
tors. eta vs tors. theta energy: -178.069
Dist. restrs. and SS energy: 18.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2799.743300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.743300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.352676 (E_RNA)
where:
Base-Base interactions energy: -1963.392
where: short stacking energy: -841.062
Base-Backbone interact. energy: -0.114
local terms energy: -837.847352
where:
bonds (distance) C4'-P energy: -141.005
bonds (distance) P-C4' energy: -145.158
flat angles C4'-P-C4' energy: -172.163
flat angles P-C4'-P energy: -126.285
tors. eta vs tors. theta energy: -253.238
Dist. restrs. and SS energy: 1.609 (S_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: 166
Temperature: 0.950000
Total energy: -2647.223540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.223540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.129732 (E_RNA)
where:
Base-Base interactions energy: -1868.657
where: short stacking energy: -768.589
Base-Backbone interact. energy: -1.920
local terms energy: -789.552469
where:
bonds (distance) C4'-P energy: -131.243
bonds (distance) P-C4' energy: -149.917
flat angles C4'-P-C4' energy: -173.833
flat angles P-C4'-P energy: -112.736
tors. eta vs tors. theta energy: -221.824
Dist. restrs. and SS energy: 12.906 (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: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2627.138700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.138700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.505941 (E_RNA)
where:
Base-Base interactions energy: -1865.510
where: short stacking energy: -800.815
Base-Backbone interact. energy: -0.221
local terms energy: -767.775490
where:
bonds (distance) C4'-P energy: -134.094
bonds (distance) P-C4' energy: -129.132
flat angles C4'-P-C4' energy: -171.214
flat angles P-C4'-P energy: -97.401
tors. eta vs tors. theta energy: -235.935
Dist. restrs. and SS energy: 6.367 (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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2474.198835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.198835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.982156 (E_RNA)
where:
Base-Base interactions energy: -1738.464
where: short stacking energy: -745.972
Base-Backbone interact. energy: -2.804
local terms energy: -740.714044
where:
bonds (distance) C4'-P energy: -127.828
bonds (distance) P-C4' energy: -140.027
flat angles C4'-P-C4' energy: -146.973
flat angles P-C4'-P energy: -103.453
tors. eta vs tors. theta energy: -222.433
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: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2419.574476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.574476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.736203 (E_RNA)
where:
Base-Base interactions energy: -1711.422
where: short stacking energy: -746.281
Base-Backbone interact. energy: 0.338
local terms energy: -715.651550
where:
bonds (distance) C4'-P energy: -124.917
bonds (distance) P-C4' energy: -121.690
flat angles C4'-P-C4' energy: -146.983
flat angles P-C4'-P energy: -107.652
tors. eta vs tors. theta energy: -214.409
Dist. restrs. and SS energy: 7.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2299.404879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.404879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.477757 (E_RNA)
where:
Base-Base interactions energy: -1607.260
where: short stacking energy: -696.750
Base-Backbone interact. energy: -0.716
local terms energy: -701.501453
where:
bonds (distance) C4'-P energy: -133.399
bonds (distance) P-C4' energy: -127.760
flat angles C4'-P-C4' energy: -153.758
flat angles P-C4'-P energy: -92.468
tors. eta vs tors. theta energy: -194.116
Dist. restrs. and SS energy: 10.073 (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: 166
Temperature: 1.200000
Total energy: -2218.359038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.359038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.452142 (E_RNA)
where:
Base-Base interactions energy: -1575.443
where: short stacking energy: -652.746
Base-Backbone interact. energy: -2.819
local terms energy: -654.190695
where:
bonds (distance) C4'-P energy: -115.406
bonds (distance) P-C4' energy: -124.582
flat angles C4'-P-C4' energy: -143.082
flat angles P-C4'-P energy: -84.727
tors. eta vs tors. theta energy: -186.393
Dist. restrs. and SS energy: 14.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2144.214335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.214335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.763294 (E_RNA)
where:
Base-Base interactions energy: -1514.420
where: short stacking energy: -654.303
Base-Backbone interact. energy: 0.942
local terms energy: -648.285800
where:
bonds (distance) C4'-P energy: -129.286
bonds (distance) P-C4' energy: -126.769
flat angles C4'-P-C4' energy: -139.209
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -180.579
Dist. restrs. and SS energy: 17.549 (S_DIST_RNA)
chem. 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: -2078.802294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.802294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.334059 (E_RNA)
where:
Base-Base interactions energy: -1476.440
where: short stacking energy: -622.198
Base-Backbone interact. energy: -2.371
local terms energy: -613.523343
where:
bonds (distance) C4'-P energy: -104.788
bonds (distance) P-C4' energy: -102.260
flat angles C4'-P-C4' energy: -136.897
flat angles P-C4'-P energy: -96.433
tors. eta vs tors. theta energy: -173.146
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: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1967.555687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.555687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.979902 (E_RNA)
where:
Base-Base interactions energy: -1386.289
where: short stacking energy: -568.605
Base-Backbone interact. energy: -0.891
local terms energy: -598.799936
where:
bonds (distance) C4'-P energy: -100.770
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -131.367
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -167.415
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: 167
Temperature: 0.900000
Total energy: -2806.444975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.444975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.214466 (E_RNA)
where:
Base-Base interactions energy: -1961.494
where: short stacking energy: -841.423
Base-Backbone interact. energy: -3.161
local terms energy: -846.559456
where:
bonds (distance) C4'-P energy: -149.738
bonds (distance) P-C4' energy: -151.281
flat angles C4'-P-C4' energy: -180.788
flat angles P-C4'-P energy: -109.369
tors. eta vs tors. theta energy: -255.383
Dist. restrs. and SS energy: 4.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2698.189007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.189007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.992682 (E_RNA)
where:
Base-Base interactions energy: -1904.677
where: short stacking energy: -809.079
Base-Backbone interact. energy: -1.761
local terms energy: -799.555072
where:
bonds (distance) C4'-P energy: -137.098
bonds (distance) P-C4' energy: -136.049
flat angles C4'-P-C4' energy: -170.469
flat angles P-C4'-P energy: -113.135
tors. eta vs tors. theta energy: -242.803
Dist. restrs. and SS energy: 7.804 (S_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: 167
Temperature: 1.000000
Total energy: -2597.094402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.094402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.648595 (E_RNA)
where:
Base-Base interactions energy: -1816.396
where: short stacking energy: -730.248
Base-Backbone interact. energy: -1.866
local terms energy: -787.386467
where:
bonds (distance) C4'-P energy: -135.276
bonds (distance) P-C4' energy: -147.814
flat angles C4'-P-C4' energy: -165.525
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -235.466
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: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2478.928823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.928823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.309503 (E_RNA)
where:
Base-Base interactions energy: -1725.651
where: short stacking energy: -749.523
Base-Backbone interact. energy: 3.176
local terms energy: -767.834629
where:
bonds (distance) C4'-P energy: -134.284
bonds (distance) P-C4' energy: -147.524
flat angles C4'-P-C4' energy: -168.836
flat angles P-C4'-P energy: -97.775
tors. eta vs tors. theta energy: -219.416
Dist. restrs. and SS energy: 11.381 (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: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2422.782577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.782577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.910651 (E_RNA)
where:
Base-Base interactions energy: -1699.556
where: short stacking energy: -717.237
Base-Backbone interact. energy: -4.433
local terms energy: -724.921478
where:
bonds (distance) C4'-P energy: -120.213
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -154.025
flat angles P-C4'-P energy: -103.738
tors. eta vs tors. theta energy: -220.506
Dist. restrs. and SS energy: 6.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2260.832749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.832749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.694184 (E_RNA)
where:
Base-Base interactions energy: -1587.285
where: short stacking energy: -658.161
Base-Backbone interact. energy: 4.465
local terms energy: -691.874007
where:
bonds (distance) C4'-P energy: -126.381
bonds (distance) P-C4' energy: -121.878
flat angles C4'-P-C4' energy: -148.040
flat angles P-C4'-P energy: -97.758
tors. eta vs tors. theta energy: -197.816
Dist. restrs. and SS energy: 13.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2246.832035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.832035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.147545 (E_RNA)
where:
Base-Base interactions energy: -1569.862
where: short stacking energy: -659.036
Base-Backbone interact. energy: 2.105
local terms energy: -686.390583
where:
bonds (distance) C4'-P energy: -131.037
bonds (distance) P-C4' energy: -121.526
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -89.151
tors. eta vs tors. theta energy: -198.046
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: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2120.488921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.488921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.194627 (E_RNA)
where:
Base-Base interactions energy: -1499.733
where: short stacking energy: -640.801
Base-Backbone interact. energy: -3.240
local terms energy: -629.221294
where:
bonds (distance) C4'-P energy: -104.546
bonds (distance) P-C4' energy: -125.471
flat angles C4'-P-C4' energy: -140.630
flat angles P-C4'-P energy: -78.539
tors. eta vs tors. theta energy: -180.035
Dist. restrs. and SS energy: 11.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -2052.371054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.371054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.451217 (E_RNA)
where:
Base-Base interactions energy: -1466.295
where: short stacking energy: -599.209
Base-Backbone interact. energy: -0.655
local terms energy: -600.501583
where:
bonds (distance) C4'-P energy: -110.696
bonds (distance) P-C4' energy: -105.827
flat angles C4'-P-C4' energy: -140.217
flat angles P-C4'-P energy: -83.317
tors. eta vs tors. theta energy: -160.444
Dist. restrs. and SS energy: 15.080 (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: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1934.515707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.515707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.199299 (E_RNA)
where:
Base-Base interactions energy: -1395.087
where: short stacking energy: -542.702
Base-Backbone interact. energy: -0.103
local terms energy: -549.009625
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -112.861
flat angles C4'-P-C4' energy: -133.836
flat angles P-C4'-P energy: -67.449
tors. eta vs tors. theta energy: -134.196
Dist. restrs. and SS energy: 9.684 (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: 168
Temperature: 0.900000
Total energy: -2796.131470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.131470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.715502 (E_RNA)
where:
Base-Base interactions energy: -1941.644
where: short stacking energy: -819.499
Base-Backbone interact. energy: -1.278
local terms energy: -855.793608
where:
bonds (distance) C4'-P energy: -150.651
bonds (distance) P-C4' energy: -143.879
flat angles C4'-P-C4' energy: -172.913
flat angles P-C4'-P energy: -131.594
tors. eta vs tors. theta energy: -256.757
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2704.225762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.225762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.704991 (E_RNA)
where:
Base-Base interactions energy: -1881.093
where: short stacking energy: -799.675
Base-Backbone interact. energy: -2.535
local terms energy: -826.076847
where:
bonds (distance) C4'-P energy: -151.882
bonds (distance) P-C4' energy: -141.870
flat angles C4'-P-C4' energy: -172.916
flat angles P-C4'-P energy: -115.024
tors. eta vs tors. theta energy: -244.384
Dist. restrs. and SS energy: 5.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2600.248233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.248233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.671778 (E_RNA)
where:
Base-Base interactions energy: -1820.561
where: short stacking energy: -763.777
Base-Backbone interact. energy: -0.537
local terms energy: -785.574416
where:
bonds (distance) C4'-P energy: -136.409
bonds (distance) P-C4' energy: -131.525
flat angles C4'-P-C4' energy: -178.905
flat angles P-C4'-P energy: -113.184
tors. eta vs tors. theta energy: -225.550
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2479.955381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.955381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.992097 (E_RNA)
where:
Base-Base interactions energy: -1730.011
where: short stacking energy: -743.813
Base-Backbone interact. energy: -0.245
local terms energy: -759.735976
where:
bonds (distance) C4'-P energy: -127.577
bonds (distance) P-C4' energy: -145.761
flat angles C4'-P-C4' energy: -153.225
flat angles P-C4'-P energy: -115.665
tors. eta vs tors. theta energy: -217.507
Dist. restrs. and SS energy: 10.037 (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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2425.862991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.862991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.855756 (E_RNA)
where:
Base-Base interactions energy: -1695.724
where: short stacking energy: -723.106
Base-Backbone interact. energy: -1.571
local terms energy: -739.560496
where:
bonds (distance) C4'-P energy: -136.266
bonds (distance) P-C4' energy: -127.086
flat angles C4'-P-C4' energy: -151.875
flat angles P-C4'-P energy: -106.529
tors. eta vs tors. theta energy: -217.805
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: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2342.551941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.551941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.630157 (E_RNA)
where:
Base-Base interactions energy: -1639.690
where: short stacking energy: -708.211
Base-Backbone interact. energy: -2.552
local terms energy: -710.388060
where:
bonds (distance) C4'-P energy: -135.556
bonds (distance) P-C4' energy: -129.452
flat angles C4'-P-C4' energy: -142.105
flat angles P-C4'-P energy: -95.104
tors. eta vs tors. theta energy: -208.171
Dist. restrs. and SS energy: 10.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2197.366277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.366277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.901609 (E_RNA)
where:
Base-Base interactions energy: -1531.700
where: short stacking energy: -645.714
Base-Backbone interact. energy: -4.677
local terms energy: -672.524447
where:
bonds (distance) C4'-P energy: -125.235
bonds (distance) P-C4' energy: -127.534
flat angles C4'-P-C4' energy: -145.994
flat angles P-C4'-P energy: -84.285
tors. eta vs tors. theta energy: -189.476
Dist. restrs. and SS energy: 11.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2234.776876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.776876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.839538 (E_RNA)
where:
Base-Base interactions energy: -1594.739
where: short stacking energy: -682.081
Base-Backbone interact. energy: 0.683
local terms energy: -652.784265
where:
bonds (distance) C4'-P energy: -111.730
bonds (distance) P-C4' energy: -118.192
flat angles C4'-P-C4' energy: -139.803
flat angles P-C4'-P energy: -89.767
tors. eta vs tors. theta energy: -193.293
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: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -2028.436265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.436265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.505992 (E_RNA)
where:
Base-Base interactions energy: -1428.306
where: short stacking energy: -598.479
Base-Backbone interact. energy: -1.728
local terms energy: -625.472027
where:
bonds (distance) C4'-P energy: -123.860
bonds (distance) P-C4' energy: -121.155
flat angles C4'-P-C4' energy: -126.367
flat angles P-C4'-P energy: -80.008
tors. eta vs tors. theta energy: -174.082
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: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1970.068295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.601200 (E_RNA)
where:
Base-Base interactions energy: -1384.107
where: short stacking energy: -583.444
Base-Backbone interact. energy: -1.055
local terms energy: -604.438617
where:
bonds (distance) C4'-P energy: -92.722
bonds (distance) P-C4' energy: -126.459
flat angles C4'-P-C4' energy: -131.694
flat angles P-C4'-P energy: -81.529
tors. eta vs tors. theta energy: -172.035
Dist. restrs. and SS energy: 19.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2820.375129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.375129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.719419 (E_RNA)
where:
Base-Base interactions energy: -1976.836
where: short stacking energy: -835.367
Base-Backbone interact. energy: -4.235
local terms energy: -841.648651
where:
bonds (distance) C4'-P energy: -145.129
bonds (distance) P-C4' energy: -148.016
flat angles C4'-P-C4' energy: -168.316
flat angles P-C4'-P energy: -129.753
tors. eta vs tors. theta energy: -250.434
Dist. restrs. and SS energy: 2.344 (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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2685.447561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.447561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.037194 (E_RNA)
where:
Base-Base interactions energy: -1912.726
where: short stacking energy: -800.834
Base-Backbone interact. energy: 1.558
local terms energy: -779.868853
where:
bonds (distance) C4'-P energy: -120.921
bonds (distance) P-C4' energy: -148.253
flat angles C4'-P-C4' energy: -172.387
flat angles P-C4'-P energy: -110.764
tors. eta vs tors. theta energy: -227.545
Dist. restrs. and SS energy: 5.590 (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: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2558.601390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.601390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.746701 (E_RNA)
where:
Base-Base interactions energy: -1798.664
where: short stacking energy: -769.738
Base-Backbone interact. energy: -4.408
local terms energy: -765.674894
where:
bonds (distance) C4'-P energy: -124.869
bonds (distance) P-C4' energy: -146.354
flat angles C4'-P-C4' energy: -162.304
flat angles P-C4'-P energy: -101.242
tors. eta vs tors. theta energy: -230.905
Dist. restrs. and SS energy: 10.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2455.270005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.270005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.517711 (E_RNA)
where:
Base-Base interactions energy: -1734.167
where: short stacking energy: -731.858
Base-Backbone interact. energy: 0.144
local terms energy: -731.495155
where:
bonds (distance) C4'-P energy: -121.972
bonds (distance) P-C4' energy: -133.401
flat angles C4'-P-C4' energy: -166.304
flat angles P-C4'-P energy: -94.960
tors. eta vs tors. theta energy: -214.858
Dist. restrs. and SS energy: 10.248 (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: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2399.386748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.386748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.494895 (E_RNA)
where:
Base-Base interactions energy: -1695.709
where: short stacking energy: -722.249
Base-Backbone interact. energy: -2.655
local terms energy: -711.131059
where:
bonds (distance) C4'-P energy: -130.953
bonds (distance) P-C4' energy: -135.494
flat angles C4'-P-C4' energy: -139.643
flat angles P-C4'-P energy: -91.018
tors. eta vs tors. theta energy: -214.023
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: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2263.478857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.478857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.988768 (E_RNA)
where:
Base-Base interactions energy: -1606.761
where: short stacking energy: -679.788
Base-Backbone interact. energy: -0.149
local terms energy: -668.079317
where:
bonds (distance) C4'-P energy: -119.214
bonds (distance) P-C4' energy: -118.032
flat angles C4'-P-C4' energy: -156.661
flat angles P-C4'-P energy: -91.470
tors. eta vs tors. theta energy: -182.702
Dist. restrs. and SS energy: 11.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2223.983744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.983744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.152181 (E_RNA)
where:
Base-Base interactions energy: -1544.723
where: short stacking energy: -659.515
Base-Backbone interact. energy: -3.466
local terms energy: -691.963495
where:
bonds (distance) C4'-P energy: -124.610
bonds (distance) P-C4' energy: -127.965
flat angles C4'-P-C4' energy: -143.119
flat angles P-C4'-P energy: -92.636
tors. eta vs tors. theta energy: -203.634
Dist. restrs. and SS energy: 16.168 (S_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: 169
Temperature: 1.250000
Total energy: -2126.105270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.105270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.925394 (E_RNA)
where:
Base-Base interactions energy: -1505.645
where: short stacking energy: -626.636
Base-Backbone interact. energy: -1.292
local terms energy: -638.988478
where:
bonds (distance) C4'-P energy: -99.967
bonds (distance) P-C4' energy: -119.157
flat angles C4'-P-C4' energy: -135.157
flat angles P-C4'-P energy: -105.687
tors. eta vs tors. theta energy: -179.020
Dist. restrs. and SS energy: 19.820 (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: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -2008.494890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.494890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.695463 (E_RNA)
where:
Base-Base interactions energy: -1411.107
where: short stacking energy: -586.444
Base-Backbone interact. energy: -0.749
local terms energy: -618.839379
where:
bonds (distance) C4'-P energy: -111.192
bonds (distance) P-C4' energy: -128.030
flat angles C4'-P-C4' energy: -140.703
flat angles P-C4'-P energy: -78.374
tors. eta vs tors. theta energy: -160.540
Dist. restrs. and SS energy: 22.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1952.813912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.813912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.067031 (E_RNA)
where:
Base-Base interactions energy: -1382.429
where: short stacking energy: -563.792
Base-Backbone interact. energy: 5.983
local terms energy: -600.621747
where:
bonds (distance) C4'-P energy: -115.888
bonds (distance) P-C4' energy: -130.156
flat angles C4'-P-C4' energy: -135.588
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -155.035
Dist. restrs. and SS energy: 24.253 (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: 170
Temperature: 0.900000
Total energy: -2785.357676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.357676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.571017 (E_RNA)
where:
Base-Base interactions energy: -1948.586
where: short stacking energy: -826.998
Base-Backbone interact. energy: -4.185
local terms energy: -837.799633
where:
bonds (distance) C4'-P energy: -141.637
bonds (distance) P-C4' energy: -144.190
flat angles C4'-P-C4' energy: -182.638
flat angles P-C4'-P energy: -118.045
tors. eta vs tors. theta energy: -251.290
Dist. restrs. and SS energy: 5.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2707.411362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.411362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.912989 (E_RNA)
where:
Base-Base interactions energy: -1916.673
where: short stacking energy: -812.359
Base-Backbone interact. energy: -4.774
local terms energy: -793.466121
where:
bonds (distance) C4'-P energy: -129.535
bonds (distance) P-C4' energy: -136.912
flat angles C4'-P-C4' energy: -165.436
flat angles P-C4'-P energy: -124.156
tors. eta vs tors. theta energy: -237.426
Dist. restrs. and SS energy: 7.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2547.271795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.271795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.532708 (E_RNA)
where:
Base-Base interactions energy: -1756.580
where: short stacking energy: -758.383
Base-Backbone interact. energy: -4.062
local terms energy: -794.890249
where:
bonds (distance) C4'-P energy: -140.872
bonds (distance) P-C4' energy: -155.415
flat angles C4'-P-C4' energy: -163.374
flat angles P-C4'-P energy: -107.390
tors. eta vs tors. theta energy: -227.839
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2500.484308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.484308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.661049 (E_RNA)
where:
Base-Base interactions energy: -1756.252
where: short stacking energy: -741.691
Base-Backbone interact. energy: 0.814
local terms energy: -753.222752
where:
bonds (distance) C4'-P energy: -137.552
bonds (distance) P-C4' energy: -142.815
flat angles C4'-P-C4' energy: -150.860
flat angles P-C4'-P energy: -99.855
tors. eta vs tors. theta energy: -222.140
Dist. restrs. and SS energy: 8.177 (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: 170
Temperature: 1.100000
Total energy: -2437.073627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.073627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.601637 (E_RNA)
where:
Base-Base interactions energy: -1684.894
where: short stacking energy: -719.791
Base-Backbone interact. energy: -3.279
local terms energy: -754.429540
where:
bonds (distance) C4'-P energy: -134.147
bonds (distance) P-C4' energy: -141.971
flat angles C4'-P-C4' energy: -152.227
flat angles P-C4'-P energy: -102.386
tors. eta vs tors. theta energy: -223.700
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2268.751360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.751360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.552415 (E_RNA)
where:
Base-Base interactions energy: -1589.468
where: short stacking energy: -670.746
Base-Backbone interact. energy: -1.504
local terms energy: -697.580498
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -127.740
flat angles C4'-P-C4' energy: -156.199
flat angles P-C4'-P energy: -98.952
tors. eta vs tors. theta energy: -187.579
Dist. restrs. and SS energy: 19.801 (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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2204.468144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.468144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.796180 (E_RNA)
where:
Base-Base interactions energy: -1558.268
where: short stacking energy: -645.389
Base-Backbone interact. energy: -3.143
local terms energy: -655.385480
where:
bonds (distance) C4'-P energy: -117.860
bonds (distance) P-C4' energy: -134.701
flat angles C4'-P-C4' energy: -127.248
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -188.409
Dist. restrs. and SS energy: 12.328 (S_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: 170
Temperature: 1.250000
Total energy: -2110.514094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.514094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.678621 (E_RNA)
where:
Base-Base interactions energy: -1482.596
where: short stacking energy: -628.490
Base-Backbone interact. energy: -1.592
local terms energy: -644.491053
where:
bonds (distance) C4'-P energy: -113.525
bonds (distance) P-C4' energy: -121.748
flat angles C4'-P-C4' energy: -144.808
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -177.486
Dist. restrs. and SS energy: 18.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -2054.705433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.705433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.363939 (E_RNA)
where:
Base-Base interactions energy: -1460.469
where: short stacking energy: -612.235
Base-Backbone interact. energy: -2.939
local terms energy: -607.956209
where:
bonds (distance) C4'-P energy: -89.683
bonds (distance) P-C4' energy: -123.837
flat angles C4'-P-C4' energy: -136.484
flat angles P-C4'-P energy: -89.976
tors. eta vs tors. theta energy: -167.976
Dist. restrs. and SS energy: 16.659 (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: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1992.821644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.821644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.593785 (E_RNA)
where:
Base-Base interactions energy: -1416.766
where: short stacking energy: -572.477
Base-Backbone interact. energy: 1.092
local terms energy: -590.919726
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -101.718
flat angles C4'-P-C4' energy: -146.560
flat angles P-C4'-P energy: -84.549
tors. eta vs tors. theta energy: -164.531
Dist. restrs. and SS energy: 13.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2807.942119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.942119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.858224 (E_RNA)
where:
Base-Base interactions energy: -1970.007
where: short stacking energy: -827.962
Base-Backbone interact. energy: -2.208
local terms energy: -838.642913
where:
bonds (distance) C4'-P energy: -137.233
bonds (distance) P-C4' energy: -157.981
flat angles C4'-P-C4' energy: -166.858
flat angles P-C4'-P energy: -121.314
tors. eta vs tors. theta energy: -255.257
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2696.858646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.779395 (E_RNA)
where:
Base-Base interactions energy: -1900.953
where: short stacking energy: -790.611
Base-Backbone interact. energy: -2.326
local terms energy: -799.500970
where:
bonds (distance) C4'-P energy: -139.467
bonds (distance) P-C4' energy: -139.167
flat angles C4'-P-C4' energy: -169.424
flat angles P-C4'-P energy: -111.917
tors. eta vs tors. theta energy: -239.525
Dist. restrs. and SS energy: 5.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2512.055721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.055721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.849219 (E_RNA)
where:
Base-Base interactions energy: -1777.151
where: short stacking energy: -732.260
Base-Backbone interact. energy: -1.941
local terms energy: -739.756452
where:
bonds (distance) C4'-P energy: -129.211
bonds (distance) P-C4' energy: -134.437
flat angles C4'-P-C4' energy: -167.760
flat angles P-C4'-P energy: -89.460
tors. eta vs tors. theta energy: -218.889
Dist. restrs. and SS energy: 6.793 (S_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: 171
Temperature: 1.050000
Total energy: -2499.519106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.519106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.387380 (E_RNA)
where:
Base-Base interactions energy: -1753.141
where: short stacking energy: -752.638
Base-Backbone interact. energy: -4.340
local terms energy: -752.906291
where:
bonds (distance) C4'-P energy: -126.970
bonds (distance) P-C4' energy: -150.158
flat angles C4'-P-C4' energy: -162.505
flat angles P-C4'-P energy: -101.029
tors. eta vs tors. theta energy: -212.244
Dist. restrs. and SS energy: 10.868 (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: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2411.594406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.594406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.419558 (E_RNA)
where:
Base-Base interactions energy: -1699.196
where: short stacking energy: -736.841
Base-Backbone interact. energy: 1.652
local terms energy: -726.875387
where:
bonds (distance) C4'-P energy: -115.432
bonds (distance) P-C4' energy: -140.828
flat angles C4'-P-C4' energy: -154.174
flat angles P-C4'-P energy: -103.933
tors. eta vs tors. theta energy: -212.508
Dist. restrs. and SS energy: 12.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2301.935018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.935018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.850965 (E_RNA)
where:
Base-Base interactions energy: -1617.728
where: short stacking energy: -709.073
Base-Backbone interact. energy: -0.251
local terms energy: -692.871948
where:
bonds (distance) C4'-P energy: -101.512
bonds (distance) P-C4' energy: -141.246
flat angles C4'-P-C4' energy: -161.482
flat angles P-C4'-P energy: -84.697
tors. eta vs tors. theta energy: -203.935
Dist. restrs. and SS energy: 8.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2212.736310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.736310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.124985 (E_RNA)
where:
Base-Base interactions energy: -1546.724
where: short stacking energy: -661.464
Base-Backbone interact. energy: -1.549
local terms energy: -683.851628
where:
bonds (distance) C4'-P energy: -119.013
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -150.608
flat angles P-C4'-P energy: -92.683
tors. eta vs tors. theta energy: -197.584
Dist. restrs. and SS energy: 19.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2076.203724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.203724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.272309 (E_RNA)
where:
Base-Base interactions energy: -1473.967
where: short stacking energy: -623.787
Base-Backbone interact. energy: -0.267
local terms energy: -619.038376
where:
bonds (distance) C4'-P energy: -120.209
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -127.569
flat angles P-C4'-P energy: -88.985
tors. eta vs tors. theta energy: -177.679
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: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -2052.807616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.807616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.209867 (E_RNA)
where:
Base-Base interactions energy: -1448.974
where: short stacking energy: -591.968
Base-Backbone interact. energy: -3.134
local terms energy: -618.101839
where:
bonds (distance) C4'-P energy: -112.060
bonds (distance) P-C4' energy: -124.912
flat angles C4'-P-C4' energy: -129.634
flat angles P-C4'-P energy: -95.800
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 17.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1993.976634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.976634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.028310 (E_RNA)
where:
Base-Base interactions energy: -1399.750
where: short stacking energy: -587.148
Base-Backbone interact. energy: -1.739
local terms energy: -610.539513
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -120.842
flat angles C4'-P-C4' energy: -137.416
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -180.408
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: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2804.564976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.564976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.668645 (E_RNA)
where:
Base-Base interactions energy: -1981.630
where: short stacking energy: -835.552
Base-Backbone interact. energy: -0.004
local terms energy: -827.034941
where:
bonds (distance) C4'-P energy: -132.990
bonds (distance) P-C4' energy: -149.221
flat angles C4'-P-C4' energy: -180.142
flat angles P-C4'-P energy: -117.571
tors. eta vs tors. theta energy: -247.111
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2694.405496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.405496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.032297 (E_RNA)
where:
Base-Base interactions energy: -1892.465
where: short stacking energy: -794.627
Base-Backbone interact. energy: 0.658
local terms energy: -808.225479
where:
bonds (distance) C4'-P energy: -141.607
bonds (distance) P-C4' energy: -138.146
flat angles C4'-P-C4' energy: -175.934
flat angles P-C4'-P energy: -110.134
tors. eta vs tors. theta energy: -242.404
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: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2511.431571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.431571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.971056 (E_RNA)
where:
Base-Base interactions energy: -1774.782
where: short stacking energy: -740.805
Base-Backbone interact. energy: -2.947
local terms energy: -739.242244
where:
bonds (distance) C4'-P energy: -128.372
bonds (distance) P-C4' energy: -131.431
flat angles C4'-P-C4' energy: -155.191
flat angles P-C4'-P energy: -103.109
tors. eta vs tors. theta energy: -221.140
Dist. restrs. and SS energy: 5.539 (S_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: 172
Temperature: 1.050000
Total energy: -2482.540048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.540048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.769194 (E_RNA)
where:
Base-Base interactions energy: -1736.171
where: short stacking energy: -699.172
Base-Backbone interact. energy: -0.448
local terms energy: -756.149794
where:
bonds (distance) C4'-P energy: -139.605
bonds (distance) P-C4' energy: -137.604
flat angles C4'-P-C4' energy: -162.073
flat angles P-C4'-P energy: -102.757
tors. eta vs tors. theta energy: -214.111
Dist. restrs. and SS energy: 10.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2394.863510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.863510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.643845 (E_RNA)
where:
Base-Base interactions energy: -1675.712
where: short stacking energy: -700.298
Base-Backbone interact. energy: -0.682
local terms energy: -726.249870
where:
bonds (distance) C4'-P energy: -153.445
bonds (distance) P-C4' energy: -119.220
flat angles C4'-P-C4' energy: -139.604
flat angles P-C4'-P energy: -95.640
tors. eta vs tors. theta energy: -218.341
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2300.178422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.178422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.205248 (E_RNA)
where:
Base-Base interactions energy: -1624.107
where: short stacking energy: -689.988
Base-Backbone interact. energy: -0.284
local terms energy: -684.814364
where:
bonds (distance) C4'-P energy: -130.819
bonds (distance) P-C4' energy: -125.600
flat angles C4'-P-C4' energy: -128.887
flat angles P-C4'-P energy: -90.965
tors. eta vs tors. theta energy: -208.542
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: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2257.403246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.403246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.734081 (E_RNA)
where:
Base-Base interactions energy: -1587.815
where: short stacking energy: -704.329
Base-Backbone interact. energy: -2.533
local terms energy: -680.386512
where:
bonds (distance) C4'-P energy: -120.504
bonds (distance) P-C4' energy: -110.525
flat angles C4'-P-C4' energy: -149.116
flat angles P-C4'-P energy: -85.117
tors. eta vs tors. theta energy: -215.124
Dist. restrs. and SS energy: 13.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2113.112141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.112141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.172862 (E_RNA)
where:
Base-Base interactions energy: -1479.087
where: short stacking energy: -627.409
Base-Backbone interact. energy: -3.898
local terms energy: -639.187679
where:
bonds (distance) C4'-P energy: -113.535
bonds (distance) P-C4' energy: -122.608
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -95.706
tors. eta vs tors. theta energy: -185.243
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: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -2086.046228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.046228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.361684 (E_RNA)
where:
Base-Base interactions energy: -1497.517
where: short stacking energy: -615.327
Base-Backbone interact. energy: -1.018
local terms energy: -599.826032
where:
bonds (distance) C4'-P energy: -114.152
bonds (distance) P-C4' energy: -115.238
flat angles C4'-P-C4' energy: -115.074
flat angles P-C4'-P energy: -66.863
tors. eta vs tors. theta energy: -188.499
Dist. restrs. and SS energy: 12.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1943.454561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.454561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.044967 (E_RNA)
where:
Base-Base interactions energy: -1414.681
where: short stacking energy: -572.347
Base-Backbone interact. energy: -2.423
local terms energy: -540.940358
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -101.108
flat angles C4'-P-C4' energy: -129.863
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -160.607
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: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2801.402896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.402896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.860932 (E_RNA)
where:
Base-Base interactions energy: -1973.679
where: short stacking energy: -817.768
Base-Backbone interact. energy: -2.245
local terms energy: -829.937119
where:
bonds (distance) C4'-P energy: -135.877
bonds (distance) P-C4' energy: -147.018
flat angles C4'-P-C4' energy: -176.581
flat angles P-C4'-P energy: -124.349
tors. eta vs tors. theta energy: -246.112
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: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2689.344138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.344138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.587549 (E_RNA)
where:
Base-Base interactions energy: -1869.348
where: short stacking energy: -786.311
Base-Backbone interact. energy: -3.347
local terms energy: -822.892765
where:
bonds (distance) C4'-P energy: -140.981
bonds (distance) P-C4' energy: -139.158
flat angles C4'-P-C4' energy: -186.739
flat angles P-C4'-P energy: -115.705
tors. eta vs tors. theta energy: -240.309
Dist. restrs. and SS energy: 6.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2508.894241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.894241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.799255 (E_RNA)
where:
Base-Base interactions energy: -1766.235
where: short stacking energy: -752.061
Base-Backbone interact. energy: -4.132
local terms energy: -746.431781
where:
bonds (distance) C4'-P energy: -135.961
bonds (distance) P-C4' energy: -125.834
flat angles C4'-P-C4' energy: -150.253
flat angles P-C4'-P energy: -106.434
tors. eta vs tors. theta energy: -227.949
Dist. restrs. and SS energy: 7.905 (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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2472.587087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.587087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.316318 (E_RNA)
where:
Base-Base interactions energy: -1723.051
where: short stacking energy: -725.424
Base-Backbone interact. energy: -0.814
local terms energy: -755.452245
where:
bonds (distance) C4'-P energy: -123.485
bonds (distance) P-C4' energy: -142.771
flat angles C4'-P-C4' energy: -167.432
flat angles P-C4'-P energy: -99.435
tors. eta vs tors. theta energy: -222.329
Dist. restrs. and SS energy: 6.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2394.841817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.841817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.516096 (E_RNA)
where:
Base-Base interactions energy: -1698.614
where: short stacking energy: -716.648
Base-Backbone interact. energy: -2.265
local terms energy: -700.636509
where:
bonds (distance) C4'-P energy: -138.964
bonds (distance) P-C4' energy: -124.717
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -93.593
tors. eta vs tors. theta energy: -202.522
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: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2338.150251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.150251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.094505 (E_RNA)
where:
Base-Base interactions energy: -1630.360
where: short stacking energy: -707.079
Base-Backbone interact. energy: 0.742
local terms energy: -719.476339
where:
bonds (distance) C4'-P energy: -127.328
bonds (distance) P-C4' energy: -143.113
flat angles C4'-P-C4' energy: -144.476
flat angles P-C4'-P energy: -98.550
tors. eta vs tors. theta energy: -206.010
Dist. restrs. and SS energy: 10.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2261.583244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.583244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.984359 (E_RNA)
where:
Base-Base interactions energy: -1618.522
where: short stacking energy: -681.589
Base-Backbone interact. energy: -2.808
local terms energy: -647.654294
where:
bonds (distance) C4'-P energy: -91.654
bonds (distance) P-C4' energy: -125.269
flat angles C4'-P-C4' energy: -146.088
flat angles P-C4'-P energy: -83.737
tors. eta vs tors. theta energy: -200.906
Dist. restrs. and SS energy: 7.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2122.634410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.634410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.727167 (E_RNA)
where:
Base-Base interactions energy: -1491.901
where: short stacking energy: -620.975
Base-Backbone interact. energy: 0.514
local terms energy: -645.339699
where:
bonds (distance) C4'-P energy: -130.313
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -140.422
flat angles P-C4'-P energy: -85.760
tors. eta vs tors. theta energy: -177.111
Dist. restrs. and SS energy: 14.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -2055.263207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.263207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.976256 (E_RNA)
where:
Base-Base interactions energy: -1455.952
where: short stacking energy: -574.300
Base-Backbone interact. energy: -4.992
local terms energy: -609.032519
where:
bonds (distance) C4'-P energy: -107.759
bonds (distance) P-C4' energy: -136.155
flat angles C4'-P-C4' energy: -123.425
flat angles P-C4'-P energy: -83.514
tors. eta vs tors. theta energy: -158.179
Dist. restrs. and SS energy: 14.713 (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: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -2003.590156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.590156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.931922 (E_RNA)
where:
Base-Base interactions energy: -1404.049
where: short stacking energy: -589.115
Base-Backbone interact. energy: -0.868
local terms energy: -617.014696
where:
bonds (distance) C4'-P energy: -109.929
bonds (distance) P-C4' energy: -124.504
flat angles C4'-P-C4' energy: -131.592
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -167.451
Dist. restrs. and SS energy: 18.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2758.883362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.883362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.110902 (E_RNA)
where:
Base-Base interactions energy: -1929.860
where: short stacking energy: -816.156
Base-Backbone interact. energy: -3.529
local terms energy: -831.721806
where:
bonds (distance) C4'-P energy: -143.746
bonds (distance) P-C4' energy: -158.283
flat angles C4'-P-C4' energy: -171.372
flat angles P-C4'-P energy: -116.194
tors. eta vs tors. theta energy: -242.126
Dist. restrs. and SS energy: 6.228 (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: 174
Temperature: 0.950000
Total energy: -2749.818807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.818807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.691672 (E_RNA)
where:
Base-Base interactions energy: -1926.790
where: short stacking energy: -825.246
Base-Backbone interact. energy: -2.097
local terms energy: -825.804952
where:
bonds (distance) C4'-P energy: -137.783
bonds (distance) P-C4' energy: -146.716
flat angles C4'-P-C4' energy: -174.695
flat angles P-C4'-P energy: -127.459
tors. eta vs tors. theta energy: -239.152
Dist. restrs. and SS energy: 4.873 (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: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2544.927395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.927395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.241222 (E_RNA)
where:
Base-Base interactions energy: -1801.308
where: short stacking energy: -776.173
Base-Backbone interact. energy: -0.766
local terms energy: -749.167079
where:
bonds (distance) C4'-P energy: -137.969
bonds (distance) P-C4' energy: -125.645
flat angles C4'-P-C4' energy: -154.325
flat angles P-C4'-P energy: -106.909
tors. eta vs tors. theta energy: -224.319
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2499.179478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.179478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.843165 (E_RNA)
where:
Base-Base interactions energy: -1739.392
where: short stacking energy: -735.722
Base-Backbone interact. energy: -3.621
local terms energy: -762.830847
where:
bonds (distance) C4'-P energy: -152.389
bonds (distance) P-C4' energy: -145.692
flat angles C4'-P-C4' energy: -155.813
flat angles P-C4'-P energy: -89.488
tors. eta vs tors. theta energy: -219.449
Dist. restrs. and SS energy: 6.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2328.070630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.070630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.503316 (E_RNA)
where:
Base-Base interactions energy: -1642.496
where: short stacking energy: -697.173
Base-Backbone interact. energy: -2.985
local terms energy: -700.022423
where:
bonds (distance) C4'-P energy: -120.860
bonds (distance) P-C4' energy: -137.770
flat angles C4'-P-C4' energy: -144.318
flat angles P-C4'-P energy: -97.632
tors. eta vs tors. theta energy: -199.442
Dist. restrs. and SS energy: 17.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2336.823019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.823019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.481566 (E_RNA)
where:
Base-Base interactions energy: -1644.391
where: short stacking energy: -697.201
Base-Backbone interact. energy: 4.106
local terms energy: -706.196874
where:
bonds (distance) C4'-P energy: -123.862
bonds (distance) P-C4' energy: -131.868
flat angles C4'-P-C4' energy: -146.107
flat angles P-C4'-P energy: -90.580
tors. eta vs tors. theta energy: -213.779
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2232.559472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.559472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.431203 (E_RNA)
where:
Base-Base interactions energy: -1572.165
where: short stacking energy: -664.316
Base-Backbone interact. energy: -4.477
local terms energy: -665.788885
where:
bonds (distance) C4'-P energy: -125.510
bonds (distance) P-C4' energy: -112.000
flat angles C4'-P-C4' energy: -135.075
flat angles P-C4'-P energy: -98.123
tors. eta vs tors. theta energy: -195.081
Dist. restrs. and SS energy: 9.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2163.308320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.308320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.766194 (E_RNA)
where:
Base-Base interactions energy: -1526.586
where: short stacking energy: -633.616
Base-Backbone interact. energy: -1.595
local terms energy: -649.585778
where:
bonds (distance) C4'-P energy: -110.239
bonds (distance) P-C4' energy: -106.436
flat angles C4'-P-C4' energy: -150.166
flat angles P-C4'-P energy: -105.743
tors. eta vs tors. theta energy: -177.002
Dist. restrs. and SS energy: 14.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -2104.097131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.097131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.545809 (E_RNA)
where:
Base-Base interactions energy: -1499.315
where: short stacking energy: -633.426
Base-Backbone interact. energy: -0.762
local terms energy: -619.468706
where:
bonds (distance) C4'-P energy: -106.882
bonds (distance) P-C4' energy: -114.064
flat angles C4'-P-C4' energy: -129.286
flat angles P-C4'-P energy: -89.017
tors. eta vs tors. theta energy: -180.220
Dist. restrs. and SS energy: 15.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1966.740016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.740016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.495392 (E_RNA)
where:
Base-Base interactions energy: -1371.438
where: short stacking energy: -553.085
Base-Backbone interact. energy: -0.751
local terms energy: -606.306200
where:
bonds (distance) C4'-P energy: -128.480
bonds (distance) P-C4' energy: -117.309
flat angles C4'-P-C4' energy: -110.499
flat angles P-C4'-P energy: -82.082
tors. eta vs tors. theta energy: -167.936
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: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2743.748964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.748964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.783534 (E_RNA)
where:
Base-Base interactions energy: -1919.461
where: short stacking energy: -826.434
Base-Backbone interact. energy: -3.758
local terms energy: -827.564889
where:
bonds (distance) C4'-P energy: -138.369
bonds (distance) P-C4' energy: -146.455
flat angles C4'-P-C4' energy: -184.086
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -247.288
Dist. restrs. and SS energy: 7.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2717.098806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.098806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.080451 (E_RNA)
where:
Base-Base interactions energy: -1903.069
where: short stacking energy: -811.699
Base-Backbone interact. energy: -2.291
local terms energy: -815.720447
where:
bonds (distance) C4'-P energy: -142.476
bonds (distance) P-C4' energy: -149.103
flat angles C4'-P-C4' energy: -173.130
flat angles P-C4'-P energy: -115.127
tors. eta vs tors. theta energy: -235.885
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2510.851365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.851365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.880097 (E_RNA)
where:
Base-Base interactions energy: -1750.823
where: short stacking energy: -737.561
Base-Backbone interact. energy: -4.844
local terms energy: -762.213045
where:
bonds (distance) C4'-P energy: -138.651
bonds (distance) P-C4' energy: -147.637
flat angles C4'-P-C4' energy: -155.705
flat angles P-C4'-P energy: -105.566
tors. eta vs tors. theta energy: -214.655
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: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2511.513687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.513687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.330487 (E_RNA)
where:
Base-Base interactions energy: -1730.333
where: short stacking energy: -743.556
Base-Backbone interact. energy: 0.583
local terms energy: -789.580928
where:
bonds (distance) C4'-P energy: -128.150
bonds (distance) P-C4' energy: -146.203
flat angles C4'-P-C4' energy: -171.459
flat angles P-C4'-P energy: -123.144
tors. eta vs tors. theta energy: -220.625
Dist. restrs. and SS energy: 7.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2360.244341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.244341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.595766 (E_RNA)
where:
Base-Base interactions energy: -1646.246
where: short stacking energy: -709.703
Base-Backbone interact. energy: -0.448
local terms energy: -729.901947
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -157.446
flat angles P-C4'-P energy: -113.920
tors. eta vs tors. theta energy: -204.973
Dist. restrs. and SS energy: 16.351 (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: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2343.487995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.487995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.467678 (E_RNA)
where:
Base-Base interactions energy: -1652.032
where: short stacking energy: -690.636
Base-Backbone interact. energy: -4.866
local terms energy: -703.569780
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -133.484
flat angles C4'-P-C4' energy: -151.161
flat angles P-C4'-P energy: -93.406
tors. eta vs tors. theta energy: -216.358
Dist. restrs. and SS energy: 16.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2233.595003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.595003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.316642 (E_RNA)
where:
Base-Base interactions energy: -1573.682
where: short stacking energy: -665.150
Base-Backbone interact. energy: -3.297
local terms energy: -671.337935
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -122.615
flat angles C4'-P-C4' energy: -151.840
flat angles P-C4'-P energy: -90.445
tors. eta vs tors. theta energy: -194.364
Dist. restrs. and SS energy: 14.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2183.108765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.108765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.333566 (E_RNA)
where:
Base-Base interactions energy: -1597.702
where: short stacking energy: -666.172
Base-Backbone interact. energy: -0.361
local terms energy: -597.270737
where:
bonds (distance) C4'-P energy: -117.005
bonds (distance) P-C4' energy: -88.707
flat angles C4'-P-C4' energy: -135.910
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -190.311
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -2100.511954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.511954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.501253 (E_RNA)
where:
Base-Base interactions energy: -1497.688
where: short stacking energy: -643.665
Base-Backbone interact. energy: -2.709
local terms energy: -623.104155
where:
bonds (distance) C4'-P energy: -93.330
bonds (distance) P-C4' energy: -123.512
flat angles C4'-P-C4' energy: -144.327
flat angles P-C4'-P energy: -85.081
tors. eta vs tors. theta energy: -176.855
Dist. restrs. and SS energy: 22.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1979.830005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.830005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.830265 (E_RNA)
where:
Base-Base interactions energy: -1424.994
where: short stacking energy: -579.857
Base-Backbone interact. energy: -2.275
local terms energy: -567.561874
where:
bonds (distance) C4'-P energy: -110.559
bonds (distance) P-C4' energy: -93.781
flat angles C4'-P-C4' energy: -136.202
flat angles P-C4'-P energy: -66.996
tors. eta vs tors. theta energy: -160.024
Dist. restrs. and SS energy: 15.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2723.011183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.011183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.884247 (E_RNA)
where:
Base-Base interactions energy: -1891.908
where: short stacking energy: -799.075
Base-Backbone interact. energy: -1.813
local terms energy: -837.163018
where:
bonds (distance) C4'-P energy: -150.200
bonds (distance) P-C4' energy: -168.667
flat angles C4'-P-C4' energy: -163.852
flat angles P-C4'-P energy: -110.764
tors. eta vs tors. theta energy: -243.680
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: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2725.791041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.791041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.485645 (E_RNA)
where:
Base-Base interactions energy: -1893.437
where: short stacking energy: -792.381
Base-Backbone interact. energy: -3.172
local terms energy: -832.876933
where:
bonds (distance) C4'-P energy: -148.106
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -162.699
flat angles P-C4'-P energy: -121.477
tors. eta vs tors. theta energy: -242.347
Dist. restrs. and SS energy: 3.695 (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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2510.306348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.306348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.704009 (E_RNA)
where:
Base-Base interactions energy: -1772.749
where: short stacking energy: -771.106
Base-Backbone interact. energy: -1.234
local terms energy: -747.720648
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -133.110
flat angles C4'-P-C4' energy: -161.127
flat angles P-C4'-P energy: -101.192
tors. eta vs tors. theta energy: -229.731
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: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2501.085448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.085448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.757795 (E_RNA)
where:
Base-Base interactions energy: -1731.960
where: short stacking energy: -719.925
Base-Backbone interact. energy: -2.347
local terms energy: -772.451038
where:
bonds (distance) C4'-P energy: -120.756
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -170.009
flat angles P-C4'-P energy: -121.201
tors. eta vs tors. theta energy: -223.242
Dist. restrs. and SS energy: 5.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2375.958911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.958911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.863253 (E_RNA)
where:
Base-Base interactions energy: -1666.719
where: short stacking energy: -683.828
Base-Backbone interact. energy: 0.363
local terms energy: -722.506936
where:
bonds (distance) C4'-P energy: -103.833
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -160.861
flat angles P-C4'-P energy: -100.563
tors. eta vs tors. theta energy: -205.713
Dist. restrs. and SS energy: 12.904 (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: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2345.638594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.638594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.646277 (E_RNA)
where:
Base-Base interactions energy: -1636.160
where: short stacking energy: -674.407
Base-Backbone interact. energy: -1.986
local terms energy: -717.499959
where:
bonds (distance) C4'-P energy: -123.171
bonds (distance) P-C4' energy: -130.019
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -102.624
tors. eta vs tors. theta energy: -210.970
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: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2196.560376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.560376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.169203 (E_RNA)
where:
Base-Base interactions energy: -1552.522
where: short stacking energy: -665.194
Base-Backbone interact. energy: -4.472
local terms energy: -652.175053
where:
bonds (distance) C4'-P energy: -117.412
bonds (distance) P-C4' energy: -107.020
flat angles C4'-P-C4' energy: -155.394
flat angles P-C4'-P energy: -85.150
tors. eta vs tors. theta energy: -187.200
Dist. restrs. and SS energy: 12.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2170.526776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.526776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.148274 (E_RNA)
where:
Base-Base interactions energy: -1519.632
where: short stacking energy: -643.511
Base-Backbone interact. energy: -1.161
local terms energy: -667.354472
where:
bonds (distance) C4'-P energy: -121.794
bonds (distance) P-C4' energy: -114.323
flat angles C4'-P-C4' energy: -154.559
flat angles P-C4'-P energy: -91.941
tors. eta vs tors. theta energy: -184.738
Dist. restrs. and SS energy: 17.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -2021.823597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.823597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.975803 (E_RNA)
where:
Base-Base interactions energy: -1462.883
where: short stacking energy: -612.179
Base-Backbone interact. energy: -1.846
local terms energy: -573.247388
where:
bonds (distance) C4'-P energy: -108.761
bonds (distance) P-C4' energy: -105.383
flat angles C4'-P-C4' energy: -126.347
flat angles P-C4'-P energy: -80.053
tors. eta vs tors. theta energy: -152.703
Dist. restrs. and SS energy: 16.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1992.546968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.546968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.326476 (E_RNA)
where:
Base-Base interactions energy: -1402.175
where: short stacking energy: -604.041
Base-Backbone interact. energy: -2.358
local terms energy: -605.793598
where:
bonds (distance) C4'-P energy: -113.915
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -121.722
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -170.561
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: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2719.802758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.802758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.193192 (E_RNA)
where:
Base-Base interactions energy: -1905.295
where: short stacking energy: -797.077
Base-Backbone interact. energy: 2.358
local terms energy: -822.255678
where:
bonds (distance) C4'-P energy: -128.146
bonds (distance) P-C4' energy: -160.532
flat angles C4'-P-C4' energy: -171.663
flat angles P-C4'-P energy: -114.036
tors. eta vs tors. theta energy: -247.879
Dist. restrs. and SS energy: 5.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2734.049616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.049616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.307753 (E_RNA)
where:
Base-Base interactions energy: -1893.046
where: short stacking energy: -787.684
Base-Backbone interact. energy: -0.392
local terms energy: -843.869446
where:
bonds (distance) C4'-P energy: -145.168
bonds (distance) P-C4' energy: -153.785
flat angles C4'-P-C4' energy: -167.573
flat angles P-C4'-P energy: -123.974
tors. eta vs tors. theta energy: -253.370
Dist. restrs. and SS energy: 3.258 (S_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: 177
Temperature: 1.000000
Total energy: -2539.823784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.823784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.814780 (E_RNA)
where:
Base-Base interactions energy: -1793.416
where: short stacking energy: -770.732
Base-Backbone interact. energy: -3.063
local terms energy: -753.335706
where:
bonds (distance) C4'-P energy: -135.129
bonds (distance) P-C4' energy: -133.224
flat angles C4'-P-C4' energy: -156.642
flat angles P-C4'-P energy: -103.159
tors. eta vs tors. theta energy: -225.182
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: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2471.923498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.923498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.186879 (E_RNA)
where:
Base-Base interactions energy: -1742.000
where: short stacking energy: -745.276
Base-Backbone interact. energy: -0.544
local terms energy: -735.642597
where:
bonds (distance) C4'-P energy: -131.417
bonds (distance) P-C4' energy: -127.208
flat angles C4'-P-C4' energy: -142.386
flat angles P-C4'-P energy: -115.287
tors. eta vs tors. theta energy: -219.345
Dist. restrs. and SS energy: 6.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2398.479775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.479775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.418629 (E_RNA)
where:
Base-Base interactions energy: -1654.378
where: short stacking energy: -706.348
Base-Backbone interact. energy: -5.987
local terms energy: -748.054088
where:
bonds (distance) C4'-P energy: -135.168
bonds (distance) P-C4' energy: -139.107
flat angles C4'-P-C4' energy: -161.758
flat angles P-C4'-P energy: -111.433
tors. eta vs tors. theta energy: -200.588
Dist. restrs. and SS energy: 9.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2320.643094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.643094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.763004 (E_RNA)
where:
Base-Base interactions energy: -1625.760
where: short stacking energy: -691.196
Base-Backbone interact. energy: -1.019
local terms energy: -704.983763
where:
bonds (distance) C4'-P energy: -121.672
bonds (distance) P-C4' energy: -138.487
flat angles C4'-P-C4' energy: -145.765
flat angles P-C4'-P energy: -95.868
tors. eta vs tors. theta energy: -203.193
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2213.786157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.786157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.720553 (E_RNA)
where:
Base-Base interactions energy: -1581.764
where: short stacking energy: -654.237
Base-Backbone interact. energy: -2.709
local terms energy: -638.247566
where:
bonds (distance) C4'-P energy: -119.219
bonds (distance) P-C4' energy: -114.713
flat angles C4'-P-C4' energy: -147.810
flat angles P-C4'-P energy: -68.530
tors. eta vs tors. theta energy: -187.976
Dist. restrs. and SS energy: 8.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2128.316852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.316852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.654119 (E_RNA)
where:
Base-Base interactions energy: -1490.223
where: short stacking energy: -610.099
Base-Backbone interact. energy: -3.521
local terms energy: -647.909728
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -127.797
flat angles C4'-P-C4' energy: -129.406
flat angles P-C4'-P energy: -88.134
tors. eta vs tors. theta energy: -172.934
Dist. restrs. and SS energy: 13.337 (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: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1997.743695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.743695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.749593 (E_RNA)
where:
Base-Base interactions energy: -1458.509
where: short stacking energy: -596.394
Base-Backbone interact. energy: -2.358
local terms energy: -551.882857
where:
bonds (distance) C4'-P energy: -117.177
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -126.568
flat angles P-C4'-P energy: -75.996
tors. eta vs tors. theta energy: -145.632
Dist. restrs. and SS energy: 15.006 (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: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -2008.478822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.478822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.721262 (E_RNA)
where:
Base-Base interactions energy: -1403.873
where: short stacking energy: -566.651
Base-Backbone interact. energy: -1.416
local terms energy: -618.432772
where:
bonds (distance) C4'-P energy: -102.847
bonds (distance) P-C4' energy: -128.297
flat angles C4'-P-C4' energy: -139.877
flat angles P-C4'-P energy: -84.090
tors. eta vs tors. theta energy: -163.323
Dist. restrs. and SS energy: 15.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2778.977761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.977761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.455581 (E_RNA)
where:
Base-Base interactions energy: -1938.496
where: short stacking energy: -830.719
Base-Backbone interact. energy: -2.656
local terms energy: -842.303324
where:
bonds (distance) C4'-P energy: -149.374
bonds (distance) P-C4' energy: -148.988
flat angles C4'-P-C4' energy: -176.184
flat angles P-C4'-P energy: -118.313
tors. eta vs tors. theta energy: -249.444
Dist. restrs. and SS energy: 4.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2690.141426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.141426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.353565 (E_RNA)
where:
Base-Base interactions energy: -1875.250
where: short stacking energy: -788.131
Base-Backbone interact. energy: -4.239
local terms energy: -817.864873
where:
bonds (distance) C4'-P energy: -146.276
bonds (distance) P-C4' energy: -137.750
flat angles C4'-P-C4' energy: -177.874
flat angles P-C4'-P energy: -116.643
tors. eta vs tors. theta energy: -239.322
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: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2528.345869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.345869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.015556 (E_RNA)
where:
Base-Base interactions energy: -1795.523
where: short stacking energy: -756.256
Base-Backbone interact. energy: -2.668
local terms energy: -737.824380
where:
bonds (distance) C4'-P energy: -126.796
bonds (distance) P-C4' energy: -125.731
flat angles C4'-P-C4' energy: -163.263
flat angles P-C4'-P energy: -110.607
tors. eta vs tors. theta energy: -211.428
Dist. restrs. and SS energy: 7.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2464.428059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.428059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.672536 (E_RNA)
where:
Base-Base interactions energy: -1694.242
where: short stacking energy: -721.081
Base-Backbone interact. energy: -3.387
local terms energy: -771.043688
where:
bonds (distance) C4'-P energy: -141.986
bonds (distance) P-C4' energy: -142.488
flat angles C4'-P-C4' energy: -157.585
flat angles P-C4'-P energy: -103.575
tors. eta vs tors. theta energy: -225.410
Dist. restrs. and SS energy: 4.244 (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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2372.403767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.403767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.314288 (E_RNA)
where:
Base-Base interactions energy: -1687.600
where: short stacking energy: -716.583
Base-Backbone interact. energy: 3.018
local terms energy: -705.732171
where:
bonds (distance) C4'-P energy: -128.579
bonds (distance) P-C4' energy: -128.489
flat angles C4'-P-C4' energy: -144.346
flat angles P-C4'-P energy: -102.129
tors. eta vs tors. theta energy: -202.189
Dist. restrs. and SS energy: 17.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2341.392360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.392360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.039457 (E_RNA)
where:
Base-Base interactions energy: -1673.515
where: short stacking energy: -701.640
Base-Backbone interact. energy: 0.852
local terms energy: -674.376630
where:
bonds (distance) C4'-P energy: -140.988
bonds (distance) P-C4' energy: -111.906
flat angles C4'-P-C4' energy: -137.735
flat angles P-C4'-P energy: -95.327
tors. eta vs tors. theta energy: -188.421
Dist. restrs. and SS energy: 5.647 (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: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2204.989895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.989895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.469006 (E_RNA)
where:
Base-Base interactions energy: -1546.604
where: short stacking energy: -650.730
Base-Backbone interact. energy: -3.299
local terms energy: -672.566264
where:
bonds (distance) C4'-P energy: -134.606
bonds (distance) P-C4' energy: -124.653
flat angles C4'-P-C4' energy: -144.753
flat angles P-C4'-P energy: -95.216
tors. eta vs tors. theta energy: -173.338
Dist. restrs. and SS energy: 17.479 (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: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2121.760818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.760818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.534962 (E_RNA)
where:
Base-Base interactions energy: -1509.971
where: short stacking energy: -626.108
Base-Backbone interact. energy: -3.558
local terms energy: -622.006691
where:
bonds (distance) C4'-P energy: -105.101
bonds (distance) P-C4' energy: -113.477
flat angles C4'-P-C4' energy: -141.927
flat angles P-C4'-P energy: -92.285
tors. eta vs tors. theta energy: -169.217
Dist. restrs. and SS energy: 13.774 (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: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -2071.871858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.871858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.265713 (E_RNA)
where:
Base-Base interactions energy: -1491.937
where: short stacking energy: -613.927
Base-Backbone interact. energy: 1.290
local terms energy: -597.618598
where:
bonds (distance) C4'-P energy: -86.648
bonds (distance) P-C4' energy: -113.877
flat angles C4'-P-C4' energy: -134.588
flat angles P-C4'-P energy: -79.563
tors. eta vs tors. theta energy: -182.943
Dist. restrs. and SS energy: 16.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1942.548679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.548679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.433901 (E_RNA)
where:
Base-Base interactions energy: -1385.230
where: short stacking energy: -550.863
Base-Backbone interact. energy: -2.252
local terms energy: -578.951961
where:
bonds (distance) C4'-P energy: -113.035
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -129.400
flat angles P-C4'-P energy: -70.876
tors. eta vs tors. theta energy: -161.668
Dist. restrs. and SS energy: 23.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2800.449345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.449345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.943858 (E_RNA)
where:
Base-Base interactions energy: -1981.758
where: short stacking energy: -845.485
Base-Backbone interact. energy: -2.795
local terms energy: -819.390879
where:
bonds (distance) C4'-P energy: -135.067
bonds (distance) P-C4' energy: -150.888
flat angles C4'-P-C4' energy: -168.760
flat angles P-C4'-P energy: -114.288
tors. eta vs tors. theta energy: -250.387
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2667.977945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.977945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.318662 (E_RNA)
where:
Base-Base interactions energy: -1885.697
where: short stacking energy: -785.609
Base-Backbone interact. energy: -3.303
local terms energy: -784.318280
where:
bonds (distance) C4'-P energy: -132.552
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -164.314
flat angles P-C4'-P energy: -115.673
tors. eta vs tors. theta energy: -240.342
Dist. restrs. and SS energy: 5.341 (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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2554.857025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.857025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.750928 (E_RNA)
where:
Base-Base interactions energy: -1807.340
where: short stacking energy: -785.739
Base-Backbone interact. energy: -1.249
local terms energy: -751.162131
where:
bonds (distance) C4'-P energy: -133.375
bonds (distance) P-C4' energy: -132.373
flat angles C4'-P-C4' energy: -166.302
flat angles P-C4'-P energy: -89.511
tors. eta vs tors. theta energy: -229.602
Dist. restrs. and SS energy: 4.894 (S_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: 179
Temperature: 1.050000
Total energy: -2521.836976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.836976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.069309 (E_RNA)
where:
Base-Base interactions energy: -1738.586
where: short stacking energy: -726.389
Base-Backbone interact. energy: -0.770
local terms energy: -786.712652
where:
bonds (distance) C4'-P energy: -141.921
bonds (distance) P-C4' energy: -143.971
flat angles C4'-P-C4' energy: -166.138
flat angles P-C4'-P energy: -106.268
tors. eta vs tors. theta energy: -228.414
Dist. restrs. and SS energy: 4.232 (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: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2358.402309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.402309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.243187 (E_RNA)
where:
Base-Base interactions energy: -1648.496
where: short stacking energy: -691.643
Base-Backbone interact. energy: -4.410
local terms energy: -713.337244
where:
bonds (distance) C4'-P energy: -116.130
bonds (distance) P-C4' energy: -152.369
flat angles C4'-P-C4' energy: -149.658
flat angles P-C4'-P energy: -103.152
tors. eta vs tors. theta energy: -192.028
Dist. restrs. and SS energy: 7.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2360.896401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.896401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.823920 (E_RNA)
where:
Base-Base interactions energy: -1656.564
where: short stacking energy: -704.521
Base-Backbone interact. energy: 1.689
local terms energy: -716.948837
where:
bonds (distance) C4'-P energy: -131.290
bonds (distance) P-C4' energy: -150.581
flat angles C4'-P-C4' energy: -145.854
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -205.019
Dist. restrs. and SS energy: 10.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2236.061958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.061958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.567484 (E_RNA)
where:
Base-Base interactions energy: -1552.255
where: short stacking energy: -634.530
Base-Backbone interact. energy: -2.107
local terms energy: -697.205707
where:
bonds (distance) C4'-P energy: -120.968
bonds (distance) P-C4' energy: -142.236
flat angles C4'-P-C4' energy: -145.163
flat angles P-C4'-P energy: -98.451
tors. eta vs tors. theta energy: -190.388
Dist. restrs. and SS energy: 15.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2148.935587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.935587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.270191 (E_RNA)
where:
Base-Base interactions energy: -1504.915
where: short stacking energy: -633.369
Base-Backbone interact. energy: -1.532
local terms energy: -652.822738
where:
bonds (distance) C4'-P energy: -106.217
bonds (distance) P-C4' energy: -135.711
flat angles C4'-P-C4' energy: -134.242
flat angles P-C4'-P energy: -89.265
tors. eta vs tors. theta energy: -187.387
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: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -2036.524788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.524788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.178726 (E_RNA)
where:
Base-Base interactions energy: -1436.529
where: short stacking energy: -601.520
Base-Backbone interact. energy: -2.652
local terms energy: -607.998429
where:
bonds (distance) C4'-P energy: -115.769
bonds (distance) P-C4' energy: -107.911
flat angles C4'-P-C4' energy: -130.193
flat angles P-C4'-P energy: -86.610
tors. eta vs tors. theta energy: -167.516
Dist. restrs. and SS energy: 10.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1961.364965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.364965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.373963 (E_RNA)
where:
Base-Base interactions energy: -1349.352
where: short stacking energy: -524.784
Base-Backbone interact. energy: -5.317
local terms energy: -619.704640
where:
bonds (distance) C4'-P energy: -135.318
bonds (distance) P-C4' energy: -117.132
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -158.823
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: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2785.812946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.812946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.789942 (E_RNA)
where:
Base-Base interactions energy: -1955.838
where: short stacking energy: -836.381
Base-Backbone interact. energy: -2.075
local terms energy: -830.877552
where:
bonds (distance) C4'-P energy: -147.473
bonds (distance) P-C4' energy: -146.566
flat angles C4'-P-C4' energy: -164.194
flat angles P-C4'-P energy: -122.896
tors. eta vs tors. theta energy: -249.748
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2667.728163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.728163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.301971 (E_RNA)
where:
Base-Base interactions energy: -1872.954
where: short stacking energy: -795.352
Base-Backbone interact. energy: -2.504
local terms energy: -797.844179
where:
bonds (distance) C4'-P energy: -134.919
bonds (distance) P-C4' energy: -143.840
flat angles C4'-P-C4' energy: -166.664
flat angles P-C4'-P energy: -114.920
tors. eta vs tors. theta energy: -237.501
Dist. restrs. and SS energy: 5.574 (S_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: 180
Temperature: 1.000000
Total energy: -2539.441393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.441393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.949248 (E_RNA)
where:
Base-Base interactions energy: -1752.455
where: short stacking energy: -767.307
Base-Backbone interact. energy: 0.348
local terms energy: -798.842366
where:
bonds (distance) C4'-P energy: -150.173
bonds (distance) P-C4' energy: -155.568
flat angles C4'-P-C4' energy: -163.071
flat angles P-C4'-P energy: -99.714
tors. eta vs tors. theta energy: -230.316
Dist. restrs. and SS energy: 11.508 (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: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2536.527578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.527578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.984871 (E_RNA)
where:
Base-Base interactions energy: -1780.229
where: short stacking energy: -761.137
Base-Backbone interact. energy: -1.385
local terms energy: -760.370456
where:
bonds (distance) C4'-P energy: -133.728
bonds (distance) P-C4' energy: -130.408
flat angles C4'-P-C4' energy: -162.196
flat angles P-C4'-P energy: -106.683
tors. eta vs tors. theta energy: -227.356
Dist. restrs. and SS energy: 5.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2315.362656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.362656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.636301 (E_RNA)
where:
Base-Base interactions energy: -1641.511
where: short stacking energy: -677.733
Base-Backbone interact. energy: -4.137
local terms energy: -678.988177
where:
bonds (distance) C4'-P energy: -123.735
bonds (distance) P-C4' energy: -118.062
flat angles C4'-P-C4' energy: -147.742
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -196.432
Dist. restrs. and SS energy: 9.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2314.901722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.901722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.235501 (E_RNA)
where:
Base-Base interactions energy: -1625.890
where: short stacking energy: -660.960
Base-Backbone interact. energy: -1.768
local terms energy: -697.577253
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -142.300
flat angles C4'-P-C4' energy: -145.928
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -200.847
Dist. restrs. and SS energy: 10.334 (S_DIST_RNA)
chem. 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: -2239.948146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.948146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.596650 (E_RNA)
where:
Base-Base interactions energy: -1572.502
where: short stacking energy: -627.078
Base-Backbone interact. energy: -3.142
local terms energy: -679.952886
where:
bonds (distance) C4'-P energy: -101.225
bonds (distance) P-C4' energy: -133.831
flat angles C4'-P-C4' energy: -156.189
flat angles P-C4'-P energy: -109.178
tors. eta vs tors. theta energy: -179.529
Dist. restrs. and SS energy: 15.649 (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: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2126.187178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.187178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.501506 (E_RNA)
where:
Base-Base interactions energy: -1503.786
where: short stacking energy: -602.376
Base-Backbone interact. energy: -0.064
local terms energy: -636.652219
where:
bonds (distance) C4'-P energy: -117.721
bonds (distance) P-C4' energy: -120.299
flat angles C4'-P-C4' energy: -128.056
flat angles P-C4'-P energy: -91.472
tors. eta vs tors. theta energy: -179.104
Dist. restrs. and SS energy: 14.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -2071.731408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.731408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.514103 (E_RNA)
where:
Base-Base interactions energy: -1493.858
where: short stacking energy: -604.864
Base-Backbone interact. energy: -0.958
local terms energy: -589.697656
where:
bonds (distance) C4'-P energy: -95.828
bonds (distance) P-C4' energy: -104.941
flat angles C4'-P-C4' energy: -140.213
flat angles P-C4'-P energy: -75.644
tors. eta vs tors. theta energy: -173.072
Dist. restrs. and SS energy: 12.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1937.311936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.311936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.884590 (E_RNA)
where:
Base-Base interactions energy: -1367.990
where: short stacking energy: -535.803
Base-Backbone interact. energy: -1.188
local terms energy: -591.706655
where:
bonds (distance) C4'-P energy: -111.224
bonds (distance) P-C4' energy: -129.810
flat angles C4'-P-C4' energy: -126.190
flat angles P-C4'-P energy: -82.609
tors. eta vs tors. theta energy: -141.874
Dist. restrs. and SS energy: 23.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2775.577369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.577369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.870801 (E_RNA)
where:
Base-Base interactions energy: -1969.787
where: short stacking energy: -826.520
Base-Backbone interact. energy: -2.354
local terms energy: -807.729293
where:
bonds (distance) C4'-P energy: -144.574
bonds (distance) P-C4' energy: -131.916
flat angles C4'-P-C4' energy: -173.044
flat angles P-C4'-P energy: -116.000
tors. eta vs tors. theta energy: -242.195
Dist. restrs. and SS energy: 4.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2683.752538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.752538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.043328 (E_RNA)
where:
Base-Base interactions energy: -1879.807
where: short stacking energy: -765.524
Base-Backbone interact. energy: -0.854
local terms energy: -809.382479
where:
bonds (distance) C4'-P energy: -135.584
bonds (distance) P-C4' energy: -146.415
flat angles C4'-P-C4' energy: -168.001
flat angles P-C4'-P energy: -118.849
tors. eta vs tors. theta energy: -240.534
Dist. restrs. and SS energy: 6.291 (S_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: 181
Temperature: 1.000000
Total energy: -2513.571171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.571171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.142881 (E_RNA)
where:
Base-Base interactions energy: -1763.696
where: short stacking energy: -753.724
Base-Backbone interact. energy: -1.089
local terms energy: -762.357916
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -159.269
flat angles C4'-P-C4' energy: -156.041
flat angles P-C4'-P energy: -112.184
tors. eta vs tors. theta energy: -217.361
Dist. restrs. and SS energy: 13.572 (S_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: 181
Temperature: 1.050000
Total energy: -2517.361120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.361120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.945534 (E_RNA)
where:
Base-Base interactions energy: -1771.258
where: short stacking energy: -744.335
Base-Backbone interact. energy: -4.525
local terms energy: -747.162673
where:
bonds (distance) C4'-P energy: -133.858
bonds (distance) P-C4' energy: -129.274
flat angles C4'-P-C4' energy: -160.876
flat angles P-C4'-P energy: -101.540
tors. eta vs tors. theta energy: -221.614
Dist. restrs. and SS energy: 5.584 (S_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: 181
Temperature: 1.100000
Total energy: -2396.008451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.008451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.486382 (E_RNA)
where:
Base-Base interactions energy: -1684.026
where: short stacking energy: -713.230
Base-Backbone interact. energy: -1.560
local terms energy: -721.900904
where:
bonds (distance) C4'-P energy: -125.992
bonds (distance) P-C4' energy: -127.460
flat angles C4'-P-C4' energy: -160.874
flat angles P-C4'-P energy: -107.849
tors. eta vs tors. theta energy: -199.725
Dist. restrs. and SS energy: 11.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2311.092781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.092781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.345504 (E_RNA)
where:
Base-Base interactions energy: -1632.233
where: short stacking energy: -689.187
Base-Backbone interact. energy: -4.533
local terms energy: -680.579749
where:
bonds (distance) C4'-P energy: -131.334
bonds (distance) P-C4' energy: -105.389
flat angles C4'-P-C4' energy: -153.736
flat angles P-C4'-P energy: -96.454
tors. eta vs tors. theta energy: -193.667
Dist. restrs. and SS energy: 6.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2199.714806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.714806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.351597 (E_RNA)
where:
Base-Base interactions energy: -1604.457
where: short stacking energy: -651.491
Base-Backbone interact. energy: 0.466
local terms energy: -603.360922
where:
bonds (distance) C4'-P energy: -117.618
bonds (distance) P-C4' energy: -92.855
flat angles C4'-P-C4' energy: -144.380
flat angles P-C4'-P energy: -80.616
tors. eta vs tors. theta energy: -167.892
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: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2136.316407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.316407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.094311 (E_RNA)
where:
Base-Base interactions energy: -1538.624
where: short stacking energy: -650.394
Base-Backbone interact. energy: -0.940
local terms energy: -612.530824
where:
bonds (distance) C4'-P energy: -95.635
bonds (distance) P-C4' energy: -127.759
flat angles C4'-P-C4' energy: -128.476
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -179.919
Dist. restrs. and SS energy: 15.778 (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: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -2050.583647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.583647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.871548 (E_RNA)
where:
Base-Base interactions energy: -1456.424
where: short stacking energy: -599.412
Base-Backbone interact. energy: -3.208
local terms energy: -605.239912
where:
bonds (distance) C4'-P energy: -103.338
bonds (distance) P-C4' energy: -127.018
flat angles C4'-P-C4' energy: -128.543
flat angles P-C4'-P energy: -77.104
tors. eta vs tors. theta energy: -169.237
Dist. restrs. and SS energy: 14.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1940.759619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.759619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.546425 (E_RNA)
where:
Base-Base interactions energy: -1337.838
where: short stacking energy: -550.949
Base-Backbone interact. energy: 0.122
local terms energy: -621.830708
where:
bonds (distance) C4'-P energy: -98.034
bonds (distance) P-C4' energy: -133.312
flat angles C4'-P-C4' energy: -145.721
flat angles P-C4'-P energy: -87.024
tors. eta vs tors. theta energy: -157.739
Dist. restrs. and SS energy: 18.787 (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: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2770.571775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.571775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.268296 (E_RNA)
where:
Base-Base interactions energy: -1960.881
where: short stacking energy: -810.332
Base-Backbone interact. energy: -0.612
local terms energy: -813.775579
where:
bonds (distance) C4'-P energy: -135.161
bonds (distance) P-C4' energy: -142.412
flat angles C4'-P-C4' energy: -166.500
flat angles P-C4'-P energy: -125.368
tors. eta vs tors. theta energy: -244.334
Dist. restrs. and SS energy: 4.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2685.434271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.434271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.995059 (E_RNA)
where:
Base-Base interactions energy: -1891.929
where: short stacking energy: -805.757
Base-Backbone interact. energy: -0.694
local terms energy: -801.372274
where:
bonds (distance) C4'-P energy: -140.410
bonds (distance) P-C4' energy: -143.908
flat angles C4'-P-C4' energy: -169.635
flat angles P-C4'-P energy: -99.595
tors. eta vs tors. theta energy: -247.824
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: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2566.748873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.748873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.612568 (E_RNA)
where:
Base-Base interactions energy: -1795.633
where: short stacking energy: -778.594
Base-Backbone interact. energy: -3.821
local terms energy: -773.158935
where:
bonds (distance) C4'-P energy: -139.595
bonds (distance) P-C4' energy: -140.872
flat angles C4'-P-C4' energy: -163.059
flat angles P-C4'-P energy: -109.646
tors. eta vs tors. theta energy: -219.988
Dist. restrs. and SS energy: 5.864 (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: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2526.620235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.620235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.463453 (E_RNA)
where:
Base-Base interactions energy: -1770.934
where: short stacking energy: -758.512
Base-Backbone interact. energy: -5.566
local terms energy: -757.963795
where:
bonds (distance) C4'-P energy: -127.364
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -155.380
flat angles P-C4'-P energy: -119.769
tors. eta vs tors. theta energy: -228.649
Dist. restrs. and SS energy: 7.843 (S_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: 182
Temperature: 1.100000
Total energy: -2378.287472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.287472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.549520 (E_RNA)
where:
Base-Base interactions energy: -1687.394
where: short stacking energy: -704.171
Base-Backbone interact. energy: -0.274
local terms energy: -702.881836
where:
bonds (distance) C4'-P energy: -123.612
bonds (distance) P-C4' energy: -130.699
flat angles C4'-P-C4' energy: -141.264
flat angles P-C4'-P energy: -106.959
tors. eta vs tors. theta energy: -200.347
Dist. restrs. and SS energy: 12.262 (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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2311.283915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.283915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.057014 (E_RNA)
where:
Base-Base interactions energy: -1625.523
where: short stacking energy: -679.552
Base-Backbone interact. energy: 4.947
local terms energy: -700.480568
where:
bonds (distance) C4'-P energy: -130.980
bonds (distance) P-C4' energy: -132.018
flat angles C4'-P-C4' energy: -150.122
flat angles P-C4'-P energy: -88.194
tors. eta vs tors. theta energy: -199.166
Dist. restrs. and SS energy: 9.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2180.024187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.024187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.865586 (E_RNA)
where:
Base-Base interactions energy: -1526.586
where: short stacking energy: -628.561
Base-Backbone interact. energy: -0.619
local terms energy: -660.660111
where:
bonds (distance) C4'-P energy: -118.793
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -140.077
flat angles P-C4'-P energy: -96.047
tors. eta vs tors. theta energy: -179.587
Dist. restrs. and SS energy: 7.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2084.459394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.459394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.821407 (E_RNA)
where:
Base-Base interactions energy: -1458.082
where: short stacking energy: -589.624
Base-Backbone interact. energy: 2.830
local terms energy: -646.570152
where:
bonds (distance) C4'-P energy: -107.457
bonds (distance) P-C4' energy: -131.976
flat angles C4'-P-C4' energy: -150.364
flat angles P-C4'-P energy: -92.480
tors. eta vs tors. theta energy: -164.293
Dist. restrs. and SS energy: 17.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -2029.763031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.763031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.234327 (E_RNA)
where:
Base-Base interactions energy: -1466.867
where: short stacking energy: -602.154
Base-Backbone interact. energy: 1.078
local terms energy: -583.444896
where:
bonds (distance) C4'-P energy: -92.438
bonds (distance) P-C4' energy: -121.280
flat angles C4'-P-C4' energy: -122.924
flat angles P-C4'-P energy: -80.445
tors. eta vs tors. theta energy: -166.358
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: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1932.359858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.359858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.570957 (E_RNA)
where:
Base-Base interactions energy: -1358.998
where: short stacking energy: -540.661
Base-Backbone interact. energy: 1.332
local terms energy: -590.905152
where:
bonds (distance) C4'-P energy: -116.987
bonds (distance) P-C4' energy: -116.636
flat angles C4'-P-C4' energy: -128.310
flat angles P-C4'-P energy: -72.971
tors. eta vs tors. theta energy: -156.002
Dist. restrs. and SS energy: 16.211 (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: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2765.517946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.517946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.693286 (E_RNA)
where:
Base-Base interactions energy: -1932.037
where: short stacking energy: -803.811
Base-Backbone interact. energy: -3.025
local terms energy: -832.631425
where:
bonds (distance) C4'-P energy: -152.571
bonds (distance) P-C4' energy: -147.273
flat angles C4'-P-C4' energy: -175.053
flat angles P-C4'-P energy: -118.908
tors. eta vs tors. theta energy: -238.825
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2671.221908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.221908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.853784 (E_RNA)
where:
Base-Base interactions energy: -1871.658
where: short stacking energy: -803.390
Base-Backbone interact. energy: -3.859
local terms energy: -801.336664
where:
bonds (distance) C4'-P energy: -132.735
bonds (distance) P-C4' energy: -139.566
flat angles C4'-P-C4' energy: -168.744
flat angles P-C4'-P energy: -120.777
tors. eta vs tors. theta energy: -239.514
Dist. restrs. and SS energy: 5.632 (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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2504.008156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.008156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.768257 (E_RNA)
where:
Base-Base interactions energy: -1750.864
where: short stacking energy: -724.291
Base-Backbone interact. energy: -3.893
local terms energy: -754.011973
where:
bonds (distance) C4'-P energy: -146.889
bonds (distance) P-C4' energy: -128.219
flat angles C4'-P-C4' energy: -164.936
flat angles P-C4'-P energy: -97.215
tors. eta vs tors. theta energy: -216.753
Dist. restrs. and SS energy: 4.760 (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: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2515.835748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.835748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.031748 (E_RNA)
where:
Base-Base interactions energy: -1764.366
where: short stacking energy: -738.956
Base-Backbone interact. energy: -3.745
local terms energy: -753.919849
where:
bonds (distance) C4'-P energy: -135.086
bonds (distance) P-C4' energy: -142.217
flat angles C4'-P-C4' energy: -154.625
flat angles P-C4'-P energy: -88.912
tors. eta vs tors. theta energy: -233.080
Dist. restrs. and SS energy: 6.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2354.125503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.125503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.062538 (E_RNA)
where:
Base-Base interactions energy: -1652.482
where: short stacking energy: -663.268
Base-Backbone interact. energy: -3.511
local terms energy: -708.069160
where:
bonds (distance) C4'-P energy: -134.907
bonds (distance) P-C4' energy: -134.919
flat angles C4'-P-C4' energy: -142.555
flat angles P-C4'-P energy: -98.955
tors. eta vs tors. theta energy: -196.734
Dist. restrs. and SS energy: 9.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2327.289750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.289750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.105028 (E_RNA)
where:
Base-Base interactions energy: -1657.881
where: short stacking energy: -691.370
Base-Backbone interact. energy: -4.979
local terms energy: -676.245748
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -108.653
flat angles C4'-P-C4' energy: -156.788
flat angles P-C4'-P energy: -96.358
tors. eta vs tors. theta energy: -198.466
Dist. restrs. and SS energy: 11.815 (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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2203.362805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.362805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.830060 (E_RNA)
where:
Base-Base interactions energy: -1549.430
where: short stacking energy: -647.376
Base-Backbone interact. energy: 2.754
local terms energy: -667.154492
where:
bonds (distance) C4'-P energy: -111.721
bonds (distance) P-C4' energy: -126.877
flat angles C4'-P-C4' energy: -150.485
flat angles P-C4'-P energy: -82.672
tors. eta vs tors. theta energy: -195.398
Dist. restrs. and SS energy: 10.467 (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: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2079.438870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.438870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.814964 (E_RNA)
where:
Base-Base interactions energy: -1473.369
where: short stacking energy: -619.651
Base-Backbone interact. energy: 0.936
local terms energy: -618.382224
where:
bonds (distance) C4'-P energy: -110.407
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -115.797
flat angles P-C4'-P energy: -83.296
tors. eta vs tors. theta energy: -170.526
Dist. restrs. and SS energy: 11.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -2102.116549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.116549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.444410 (E_RNA)
where:
Base-Base interactions energy: -1466.202
where: short stacking energy: -616.953
Base-Backbone interact. energy: 0.113
local terms energy: -650.354566
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -124.217
flat angles C4'-P-C4' energy: -133.777
flat angles P-C4'-P energy: -90.556
tors. eta vs tors. theta energy: -188.606
Dist. restrs. and SS energy: 14.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1988.330636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.330636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.228358 (E_RNA)
where:
Base-Base interactions energy: -1412.852
where: short stacking energy: -576.436
Base-Backbone interact. energy: -4.349
local terms energy: -591.028016
where:
bonds (distance) C4'-P energy: -106.731
bonds (distance) P-C4' energy: -100.669
flat angles C4'-P-C4' energy: -136.861
flat angles P-C4'-P energy: -83.763
tors. eta vs tors. theta energy: -163.005
Dist. restrs. and SS energy: 19.898 (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: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2785.593714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.593714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.241364 (E_RNA)
where:
Base-Base interactions energy: -1958.905
where: short stacking energy: -821.286
Base-Backbone interact. energy: -0.010
local terms energy: -829.326925
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -146.522
flat angles C4'-P-C4' energy: -167.440
flat angles P-C4'-P energy: -131.290
tors. eta vs tors. theta energy: -245.500
Dist. restrs. and SS energy: 2.648 (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: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2679.107114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.107114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.983598 (E_RNA)
where:
Base-Base interactions energy: -1885.350
where: short stacking energy: -797.011
Base-Backbone interact. energy: -3.921
local terms energy: -798.712021
where:
bonds (distance) C4'-P energy: -146.825
bonds (distance) P-C4' energy: -145.021
flat angles C4'-P-C4' energy: -177.830
flat angles P-C4'-P energy: -91.437
tors. eta vs tors. theta energy: -237.599
Dist. restrs. and SS energy: 8.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2572.503439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.503439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.580473 (E_RNA)
where:
Base-Base interactions energy: -1813.612
where: short stacking energy: -771.148
Base-Backbone interact. energy: -2.765
local terms energy: -767.203693
where:
bonds (distance) C4'-P energy: -124.322
bonds (distance) P-C4' energy: -144.744
flat angles C4'-P-C4' energy: -169.658
flat angles P-C4'-P energy: -108.457
tors. eta vs tors. theta energy: -220.023
Dist. restrs. and SS energy: 11.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2501.698383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.698383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.073967 (E_RNA)
where:
Base-Base interactions energy: -1776.075
where: short stacking energy: -745.541
Base-Backbone interact. energy: -5.228
local terms energy: -729.770855
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -119.058
flat angles C4'-P-C4' energy: -162.528
flat angles P-C4'-P energy: -108.128
tors. eta vs tors. theta energy: -206.339
Dist. restrs. and SS energy: 9.376 (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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2350.472462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.472462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.828397 (E_RNA)
where:
Base-Base interactions energy: -1664.016
where: short stacking energy: -695.168
Base-Backbone interact. energy: -0.662
local terms energy: -694.150388
where:
bonds (distance) C4'-P energy: -131.472
bonds (distance) P-C4' energy: -117.877
flat angles C4'-P-C4' energy: -150.561
flat angles P-C4'-P energy: -102.179
tors. eta vs tors. theta energy: -192.061
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: 184
Temperature: 1.150000
Total energy: -2345.849735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.849735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.572346 (E_RNA)
where:
Base-Base interactions energy: -1680.521
where: short stacking energy: -708.851
Base-Backbone interact. energy: 1.848
local terms energy: -675.899065
where:
bonds (distance) C4'-P energy: -130.883
bonds (distance) P-C4' energy: -110.451
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -88.230
tors. eta vs tors. theta energy: -194.670
Dist. restrs. and SS energy: 8.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2159.858805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.858805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.431713 (E_RNA)
where:
Base-Base interactions energy: -1532.356
where: short stacking energy: -641.000
Base-Backbone interact. energy: -1.221
local terms energy: -641.854651
where:
bonds (distance) C4'-P energy: -121.905
bonds (distance) P-C4' energy: -111.381
flat angles C4'-P-C4' energy: -154.241
flat angles P-C4'-P energy: -78.742
tors. eta vs tors. theta energy: -175.586
Dist. restrs. and SS energy: 15.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2126.254425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.254425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.016713 (E_RNA)
where:
Base-Base interactions energy: -1506.119
where: short stacking energy: -621.729
Base-Backbone interact. energy: 0.646
local terms energy: -633.543413
where:
bonds (distance) C4'-P energy: -102.732
bonds (distance) P-C4' energy: -116.372
flat angles C4'-P-C4' energy: -142.467
flat angles P-C4'-P energy: -92.592
tors. eta vs tors. theta energy: -179.379
Dist. restrs. and SS energy: 12.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -2118.417003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.417003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.598582 (E_RNA)
where:
Base-Base interactions energy: -1514.632
where: short stacking energy: -610.807
Base-Backbone interact. energy: -0.607
local terms energy: -613.359370
where:
bonds (distance) C4'-P energy: -113.516
bonds (distance) P-C4' energy: -113.674
flat angles C4'-P-C4' energy: -134.707
flat angles P-C4'-P energy: -69.873
tors. eta vs tors. theta energy: -181.590
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: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1969.447964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.447964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.663527 (E_RNA)
where:
Base-Base interactions energy: -1417.555
where: short stacking energy: -587.202
Base-Backbone interact. energy: 1.108
local terms energy: -574.217371
where:
bonds (distance) C4'-P energy: -97.791
bonds (distance) P-C4' energy: -121.308
flat angles C4'-P-C4' energy: -115.782
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -164.688
Dist. restrs. and SS energy: 21.216 (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: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2797.238429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.238429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.815428 (E_RNA)
where:
Base-Base interactions energy: -1957.474
where: short stacking energy: -833.310
Base-Backbone interact. energy: 0.660
local terms energy: -844.001979
where:
bonds (distance) C4'-P energy: -143.937
bonds (distance) P-C4' energy: -147.525
flat angles C4'-P-C4' energy: -174.921
flat angles P-C4'-P energy: -129.615
tors. eta vs tors. theta energy: -248.004
Dist. restrs. and SS energy: 3.577 (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: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2688.230311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.230311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.897166 (E_RNA)
where:
Base-Base interactions energy: -1901.032
where: short stacking energy: -796.600
Base-Backbone interact. energy: 1.677
local terms energy: -800.541991
where:
bonds (distance) C4'-P energy: -150.766
bonds (distance) P-C4' energy: -150.119
flat angles C4'-P-C4' energy: -163.023
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -234.683
Dist. restrs. and SS energy: 11.667 (S_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: 185
Temperature: 1.000000
Total energy: -2533.108579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.367769 (E_RNA)
where:
Base-Base interactions energy: -1764.772
where: short stacking energy: -742.405
Base-Backbone interact. energy: -2.413
local terms energy: -772.183300
where:
bonds (distance) C4'-P energy: -132.955
bonds (distance) P-C4' energy: -138.428
flat angles C4'-P-C4' energy: -165.771
flat angles P-C4'-P energy: -105.769
tors. eta vs tors. theta energy: -229.260
Dist. restrs. and SS energy: 6.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2487.966812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.966812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.167511 (E_RNA)
where:
Base-Base interactions energy: -1755.896
where: short stacking energy: -705.461
Base-Backbone interact. energy: -2.446
local terms energy: -738.825477
where:
bonds (distance) C4'-P energy: -123.637
bonds (distance) P-C4' energy: -144.716
flat angles C4'-P-C4' energy: -148.704
flat angles P-C4'-P energy: -102.553
tors. eta vs tors. theta energy: -219.215
Dist. restrs. and SS energy: 9.201 (S_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: 185
Temperature: 1.100000
Total energy: -2347.519423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.519423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.553159 (E_RNA)
where:
Base-Base interactions energy: -1667.573
where: short stacking energy: -686.523
Base-Backbone interact. energy: -3.508
local terms energy: -685.471604
where:
bonds (distance) C4'-P energy: -104.515
bonds (distance) P-C4' energy: -142.046
flat angles C4'-P-C4' energy: -162.486
flat angles P-C4'-P energy: -88.580
tors. eta vs tors. theta energy: -187.845
Dist. restrs. and SS energy: 9.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2352.753063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.753063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.082468 (E_RNA)
where:
Base-Base interactions energy: -1639.208
where: short stacking energy: -697.695
Base-Backbone interact. energy: 4.592
local terms energy: -732.465543
where:
bonds (distance) C4'-P energy: -136.254
bonds (distance) P-C4' energy: -135.754
flat angles C4'-P-C4' energy: -155.379
flat angles P-C4'-P energy: -93.087
tors. eta vs tors. theta energy: -211.991
Dist. restrs. and SS energy: 14.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2221.648739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.648739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.926475 (E_RNA)
where:
Base-Base interactions energy: -1561.325
where: short stacking energy: -665.359
Base-Backbone interact. energy: -0.469
local terms energy: -673.132524
where:
bonds (distance) C4'-P energy: -131.721
bonds (distance) P-C4' energy: -102.328
flat angles C4'-P-C4' energy: -143.493
flat angles P-C4'-P energy: -108.324
tors. eta vs tors. theta energy: -187.267
Dist. restrs. and SS energy: 13.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2176.784661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.784661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.531917 (E_RNA)
where:
Base-Base interactions energy: -1517.599
where: short stacking energy: -645.415
Base-Backbone interact. energy: -0.612
local terms energy: -675.320744
where:
bonds (distance) C4'-P energy: -124.575
bonds (distance) P-C4' energy: -115.471
flat angles C4'-P-C4' energy: -160.375
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -189.533
Dist. restrs. and SS energy: 16.747 (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: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -2119.457823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.457823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.284057 (E_RNA)
where:
Base-Base interactions energy: -1498.270
where: short stacking energy: -628.844
Base-Backbone interact. energy: -4.275
local terms energy: -633.738633
where:
bonds (distance) C4'-P energy: -122.590
bonds (distance) P-C4' energy: -121.278
flat angles C4'-P-C4' energy: -119.506
flat angles P-C4'-P energy: -85.640
tors. eta vs tors. theta energy: -184.725
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1978.618299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.618299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.667198 (E_RNA)
where:
Base-Base interactions energy: -1404.062
where: short stacking energy: -577.985
Base-Backbone interact. energy: 4.085
local terms energy: -597.690116
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -113.118
flat angles C4'-P-C4' energy: -133.000
flat angles P-C4'-P energy: -73.373
tors. eta vs tors. theta energy: -162.333
Dist. restrs. and SS energy: 19.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2782.243163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.243163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.289767 (E_RNA)
where:
Base-Base interactions energy: -1936.119
where: short stacking energy: -824.647
Base-Backbone interact. energy: -0.878
local terms energy: -848.292861
where:
bonds (distance) C4'-P energy: -149.867
bonds (distance) P-C4' energy: -160.199
flat angles C4'-P-C4' energy: -169.459
flat angles P-C4'-P energy: -118.872
tors. eta vs tors. theta energy: -249.896
Dist. restrs. and SS energy: 3.047 (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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2664.697113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.697113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.951600 (E_RNA)
where:
Base-Base interactions energy: -1866.034
where: short stacking energy: -792.488
Base-Backbone interact. energy: -4.516
local terms energy: -802.401550
where:
bonds (distance) C4'-P energy: -129.474
bonds (distance) P-C4' energy: -146.032
flat angles C4'-P-C4' energy: -175.944
flat angles P-C4'-P energy: -120.133
tors. eta vs tors. theta energy: -230.819
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: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2564.384390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.384390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.372214 (E_RNA)
where:
Base-Base interactions energy: -1806.500
where: short stacking energy: -781.445
Base-Backbone interact. energy: -0.177
local terms energy: -764.695406
where:
bonds (distance) C4'-P energy: -135.175
bonds (distance) P-C4' energy: -128.937
flat angles C4'-P-C4' energy: -169.612
flat angles P-C4'-P energy: -104.447
tors. eta vs tors. theta energy: -226.524
Dist. restrs. and SS energy: 6.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2488.947610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.947610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.971285 (E_RNA)
where:
Base-Base interactions energy: -1756.896
where: short stacking energy: -741.470
Base-Backbone interact. energy: -2.398
local terms energy: -736.677472
where:
bonds (distance) C4'-P energy: -129.046
bonds (distance) P-C4' energy: -123.878
flat angles C4'-P-C4' energy: -159.654
flat angles P-C4'-P energy: -102.672
tors. eta vs tors. theta energy: -221.427
Dist. restrs. and SS energy: 7.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2361.120876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.120876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.126876 (E_RNA)
where:
Base-Base interactions energy: -1638.496
where: short stacking energy: -706.567
Base-Backbone interact. energy: -2.550
local terms energy: -733.080979
where:
bonds (distance) C4'-P energy: -125.949
bonds (distance) P-C4' energy: -134.380
flat angles C4'-P-C4' energy: -161.928
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -205.260
Dist. restrs. and SS energy: 13.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2334.740776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.740776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.218911 (E_RNA)
where:
Base-Base interactions energy: -1658.819
where: short stacking energy: -706.501
Base-Backbone interact. energy: -0.418
local terms energy: -685.982137
where:
bonds (distance) C4'-P energy: -127.813
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -157.818
flat angles P-C4'-P energy: -85.648
tors. eta vs tors. theta energy: -207.982
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: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2211.745376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.745376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.110498 (E_RNA)
where:
Base-Base interactions energy: -1553.501
where: short stacking energy: -642.259
Base-Backbone interact. energy: -2.247
local terms energy: -676.362675
where:
bonds (distance) C4'-P energy: -108.074
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -160.399
flat angles P-C4'-P energy: -106.303
tors. eta vs tors. theta energy: -188.432
Dist. restrs. and SS energy: 20.365 (S_DIST_RNA)
chem. 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: -2127.806482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.806482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.091137 (E_RNA)
where:
Base-Base interactions energy: -1476.411
where: short stacking energy: -615.885
Base-Backbone interact. energy: 0.431
local terms energy: -664.111254
where:
bonds (distance) C4'-P energy: -126.241
bonds (distance) P-C4' energy: -120.473
flat angles C4'-P-C4' energy: -133.128
flat angles P-C4'-P energy: -101.701
tors. eta vs tors. theta energy: -182.567
Dist. restrs. and SS energy: 12.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -2107.547947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.547947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.559585 (E_RNA)
where:
Base-Base interactions energy: -1487.917
where: short stacking energy: -621.598
Base-Backbone interact. energy: -0.896
local terms energy: -632.746255
where:
bonds (distance) C4'-P energy: -112.464
bonds (distance) P-C4' energy: -115.289
flat angles C4'-P-C4' energy: -139.402
flat angles P-C4'-P energy: -75.165
tors. eta vs tors. theta energy: -190.426
Dist. restrs. and SS energy: 14.012 (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: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1951.961923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.961923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.367851 (E_RNA)
where:
Base-Base interactions energy: -1393.289
where: short stacking energy: -555.846
Base-Backbone interact. energy: 2.873
local terms energy: -571.952013
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -94.610
flat angles C4'-P-C4' energy: -122.791
flat angles P-C4'-P energy: -77.208
tors. eta vs tors. theta energy: -167.271
Dist. restrs. and SS energy: 10.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2812.553536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.553536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.391580 (E_RNA)
where:
Base-Base interactions energy: -1972.226
where: short stacking energy: -838.390
Base-Backbone interact. energy: -1.815
local terms energy: -841.350067
where:
bonds (distance) C4'-P energy: -143.222
bonds (distance) P-C4' energy: -145.867
flat angles C4'-P-C4' energy: -169.953
flat angles P-C4'-P energy: -128.633
tors. eta vs tors. theta energy: -253.676
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2654.054242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.054242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.904919 (E_RNA)
where:
Base-Base interactions energy: -1850.383
where: short stacking energy: -772.801
Base-Backbone interact. energy: -5.319
local terms energy: -804.203064
where:
bonds (distance) C4'-P energy: -144.023
bonds (distance) P-C4' energy: -141.148
flat angles C4'-P-C4' energy: -160.303
flat angles P-C4'-P energy: -119.773
tors. eta vs tors. theta energy: -238.955
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: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2568.609882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.609882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.402619 (E_RNA)
where:
Base-Base interactions energy: -1787.084
where: short stacking energy: -757.291
Base-Backbone interact. energy: -0.573
local terms energy: -787.745801
where:
bonds (distance) C4'-P energy: -139.134
bonds (distance) P-C4' energy: -147.807
flat angles C4'-P-C4' energy: -160.137
flat angles P-C4'-P energy: -111.083
tors. eta vs tors. theta energy: -229.585
Dist. restrs. and SS energy: 6.793 (S_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: 187
Temperature: 1.050000
Total energy: -2475.892836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.892836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.047914 (E_RNA)
where:
Base-Base interactions energy: -1734.236
where: short stacking energy: -739.204
Base-Backbone interact. energy: -0.691
local terms energy: -748.120484
where:
bonds (distance) C4'-P energy: -137.572
bonds (distance) P-C4' energy: -137.021
flat angles C4'-P-C4' energy: -166.609
flat angles P-C4'-P energy: -95.849
tors. eta vs tors. theta energy: -211.069
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2333.747470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.747470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.126970 (E_RNA)
where:
Base-Base interactions energy: -1635.035
where: short stacking energy: -662.811
Base-Backbone interact. energy: -1.183
local terms energy: -709.909595
where:
bonds (distance) C4'-P energy: -126.324
bonds (distance) P-C4' energy: -129.906
flat angles C4'-P-C4' energy: -156.913
flat angles P-C4'-P energy: -103.686
tors. eta vs tors. theta energy: -193.081
Dist. restrs. and SS energy: 12.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2311.110146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.110146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.968762 (E_RNA)
where:
Base-Base interactions energy: -1650.303
where: short stacking energy: -673.958
Base-Backbone interact. energy: 2.798
local terms energy: -676.463803
where:
bonds (distance) C4'-P energy: -131.705
bonds (distance) P-C4' energy: -108.168
flat angles C4'-P-C4' energy: -144.491
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -206.520
Dist. restrs. and SS energy: 12.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2289.839406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.839406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.338142 (E_RNA)
where:
Base-Base interactions energy: -1615.434
where: short stacking energy: -689.208
Base-Backbone interact. energy: 0.504
local terms energy: -683.408306
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -109.981
flat angles C4'-P-C4' energy: -152.495
flat angles P-C4'-P energy: -88.305
tors. eta vs tors. theta energy: -211.797
Dist. restrs. and SS energy: 8.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2159.546871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.546871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.269736 (E_RNA)
where:
Base-Base interactions energy: -1523.670
where: short stacking energy: -648.095
Base-Backbone interact. energy: -0.694
local terms energy: -649.905260
where:
bonds (distance) C4'-P energy: -122.674
bonds (distance) P-C4' energy: -106.886
flat angles C4'-P-C4' energy: -131.843
flat angles P-C4'-P energy: -94.085
tors. eta vs tors. theta energy: -194.417
Dist. restrs. and SS energy: 14.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -2015.816347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.816347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.943323 (E_RNA)
where:
Base-Base interactions energy: -1459.251
where: short stacking energy: -625.638
Base-Backbone interact. energy: 0.769
local terms energy: -572.461815
where:
bonds (distance) C4'-P energy: -107.618
bonds (distance) P-C4' energy: -104.470
flat angles C4'-P-C4' energy: -116.512
flat angles P-C4'-P energy: -83.812
tors. eta vs tors. theta energy: -160.050
Dist. restrs. and SS energy: 15.127 (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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1962.755394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.755394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.120552 (E_RNA)
where:
Base-Base interactions energy: -1387.439
where: short stacking energy: -579.069
Base-Backbone interact. energy: -2.432
local terms energy: -595.248894
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -106.781
flat angles C4'-P-C4' energy: -131.262
flat angles P-C4'-P energy: -80.439
tors. eta vs tors. theta energy: -163.265
Dist. restrs. and SS energy: 22.365 (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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2800.126699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.126699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.959152 (E_RNA)
where:
Base-Base interactions energy: -1945.183
where: short stacking energy: -854.118
Base-Backbone interact. energy: -0.919
local terms energy: -857.857295
where:
bonds (distance) C4'-P energy: -150.431
bonds (distance) P-C4' energy: -149.280
flat angles C4'-P-C4' energy: -178.997
flat angles P-C4'-P energy: -117.650
tors. eta vs tors. theta energy: -261.499
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2645.512563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.512563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.526213 (E_RNA)
where:
Base-Base interactions energy: -1836.154
where: short stacking energy: -778.022
Base-Backbone interact. energy: -3.149
local terms energy: -812.223815
where:
bonds (distance) C4'-P energy: -134.609
bonds (distance) P-C4' energy: -162.783
flat angles C4'-P-C4' energy: -171.278
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -238.714
Dist. restrs. and SS energy: 6.014 (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: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2559.412897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.412897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.003284 (E_RNA)
where:
Base-Base interactions energy: -1798.973
where: short stacking energy: -775.118
Base-Backbone interact. energy: 1.919
local terms energy: -768.949737
where:
bonds (distance) C4'-P energy: -141.948
bonds (distance) P-C4' energy: -131.702
flat angles C4'-P-C4' energy: -150.298
flat angles P-C4'-P energy: -114.038
tors. eta vs tors. theta energy: -230.965
Dist. restrs. and SS energy: 6.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2494.220365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.220365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.166766 (E_RNA)
where:
Base-Base interactions energy: -1766.706
where: short stacking energy: -732.393
Base-Backbone interact. energy: 0.640
local terms energy: -735.101299
where:
bonds (distance) C4'-P energy: -132.881
bonds (distance) P-C4' energy: -124.167
flat angles C4'-P-C4' energy: -152.466
flat angles P-C4'-P energy: -103.478
tors. eta vs tors. theta energy: -222.109
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: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2349.243802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.243802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.474592 (E_RNA)
where:
Base-Base interactions energy: -1656.650
where: short stacking energy: -687.097
Base-Backbone interact. energy: -1.286
local terms energy: -708.539146
where:
bonds (distance) C4'-P energy: -132.164
bonds (distance) P-C4' energy: -146.715
flat angles C4'-P-C4' energy: -143.327
flat angles P-C4'-P energy: -93.768
tors. eta vs tors. theta energy: -192.565
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: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2288.501272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.501272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.550601 (E_RNA)
where:
Base-Base interactions energy: -1596.368
where: short stacking energy: -668.909
Base-Backbone interact. energy: -4.748
local terms energy: -698.434970
where:
bonds (distance) C4'-P energy: -128.964
bonds (distance) P-C4' energy: -125.845
flat angles C4'-P-C4' energy: -160.365
flat angles P-C4'-P energy: -106.530
tors. eta vs tors. theta energy: -176.731
Dist. restrs. and SS energy: 11.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2287.082878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.082878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.602092 (E_RNA)
where:
Base-Base interactions energy: -1600.547
where: short stacking energy: -665.822
Base-Backbone interact. energy: -2.617
local terms energy: -695.438619
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -124.053
flat angles C4'-P-C4' energy: -149.173
flat angles P-C4'-P energy: -94.509
tors. eta vs tors. theta energy: -197.622
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: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2154.780492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.780492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.546434 (E_RNA)
where:
Base-Base interactions energy: -1515.460
where: short stacking energy: -631.251
Base-Backbone interact. energy: 2.416
local terms energy: -652.502851
where:
bonds (distance) C4'-P energy: -103.488
bonds (distance) P-C4' energy: -132.652
flat angles C4'-P-C4' energy: -141.974
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -192.153
Dist. restrs. and SS energy: 10.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -2066.224973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.224973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.063092 (E_RNA)
where:
Base-Base interactions energy: -1434.600
where: short stacking energy: -606.618
Base-Backbone interact. energy: -4.090
local terms energy: -641.372715
where:
bonds (distance) C4'-P energy: -105.333
bonds (distance) P-C4' energy: -136.364
flat angles C4'-P-C4' energy: -143.965
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -171.687
Dist. restrs. and SS energy: 13.838 (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: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1942.394622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.394622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.658076 (E_RNA)
where:
Base-Base interactions energy: -1356.579
where: short stacking energy: -554.064
Base-Backbone interact. energy: -0.388
local terms energy: -609.691372
where:
bonds (distance) C4'-P energy: -106.098
bonds (distance) P-C4' energy: -131.823
flat angles C4'-P-C4' energy: -131.084
flat angles P-C4'-P energy: -80.043
tors. eta vs tors. theta energy: -160.644
Dist. restrs. and SS energy: 24.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2794.989167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.989167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.609467 (E_RNA)
where:
Base-Base interactions energy: -1935.067
where: short stacking energy: -831.313
Base-Backbone interact. energy: -1.502
local terms energy: -865.039609
where:
bonds (distance) C4'-P energy: -150.385
bonds (distance) P-C4' energy: -154.049
flat angles C4'-P-C4' energy: -179.320
flat angles P-C4'-P energy: -127.285
tors. eta vs tors. theta energy: -254.000
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: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2636.293056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.293056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.859419 (E_RNA)
where:
Base-Base interactions energy: -1837.759
where: short stacking energy: -782.133
Base-Backbone interact. energy: -2.777
local terms energy: -806.323633
where:
bonds (distance) C4'-P energy: -150.745
bonds (distance) P-C4' energy: -144.980
flat angles C4'-P-C4' energy: -163.489
flat angles P-C4'-P energy: -112.152
tors. eta vs tors. theta energy: -234.958
Dist. restrs. and SS energy: 10.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2561.500806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.500806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.109837 (E_RNA)
where:
Base-Base interactions energy: -1799.087
where: short stacking energy: -759.540
Base-Backbone interact. energy: -3.230
local terms energy: -763.792968
where:
bonds (distance) C4'-P energy: -134.612
bonds (distance) P-C4' energy: -133.918
flat angles C4'-P-C4' energy: -155.431
flat angles P-C4'-P energy: -102.286
tors. eta vs tors. theta energy: -237.546
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: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2500.103551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.352824 (E_RNA)
where:
Base-Base interactions energy: -1745.814
where: short stacking energy: -751.364
Base-Backbone interact. energy: -2.422
local terms energy: -762.116142
where:
bonds (distance) C4'-P energy: -132.625
bonds (distance) P-C4' energy: -135.226
flat angles C4'-P-C4' energy: -161.269
flat angles P-C4'-P energy: -110.880
tors. eta vs tors. theta energy: -222.117
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: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2337.913344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.913344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.511540 (E_RNA)
where:
Base-Base interactions energy: -1650.136
where: short stacking energy: -686.644
Base-Backbone interact. energy: -0.283
local terms energy: -697.092608
where:
bonds (distance) C4'-P energy: -128.411
bonds (distance) P-C4' energy: -129.919
flat angles C4'-P-C4' energy: -147.296
flat angles P-C4'-P energy: -96.425
tors. eta vs tors. theta energy: -195.043
Dist. restrs. and SS energy: 9.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2301.697332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.697332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.302372 (E_RNA)
where:
Base-Base interactions energy: -1626.639
where: short stacking energy: -688.211
Base-Backbone interact. energy: -4.193
local terms energy: -682.470692
where:
bonds (distance) C4'-P energy: -114.014
bonds (distance) P-C4' energy: -130.608
flat angles C4'-P-C4' energy: -146.614
flat angles P-C4'-P energy: -88.283
tors. eta vs tors. theta energy: -202.952
Dist. restrs. and SS energy: 11.605 (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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2295.942944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.942944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.203888 (E_RNA)
where:
Base-Base interactions energy: -1629.793
where: short stacking energy: -680.901
Base-Backbone interact. energy: -2.056
local terms energy: -674.354641
where:
bonds (distance) C4'-P energy: -115.193
bonds (distance) P-C4' energy: -115.131
flat angles C4'-P-C4' energy: -130.773
flat angles P-C4'-P energy: -99.645
tors. eta vs tors. theta energy: -213.613
Dist. restrs. and SS energy: 10.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2136.654675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.654675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.840139 (E_RNA)
where:
Base-Base interactions energy: -1502.379
where: short stacking energy: -625.388
Base-Backbone interact. energy: 1.232
local terms energy: -645.692573
where:
bonds (distance) C4'-P energy: -121.390
bonds (distance) P-C4' energy: -119.630
flat angles C4'-P-C4' energy: -143.767
flat angles P-C4'-P energy: -66.147
tors. eta vs tors. theta energy: -194.758
Dist. restrs. and SS energy: 10.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -2068.180851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.180851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.473418 (E_RNA)
where:
Base-Base interactions energy: -1446.382
where: short stacking energy: -612.436
Base-Backbone interact. energy: 0.242
local terms energy: -635.332714
where:
bonds (distance) C4'-P energy: -120.059
bonds (distance) P-C4' energy: -130.917
flat angles C4'-P-C4' energy: -141.227
flat angles P-C4'-P energy: -71.376
tors. eta vs tors. theta energy: -171.754
Dist. restrs. and SS energy: 13.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1980.088318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.088318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.238036 (E_RNA)
where:
Base-Base interactions energy: -1414.059
where: short stacking energy: -572.324
Base-Backbone interact. energy: 6.354
local terms energy: -580.533147
where:
bonds (distance) C4'-P energy: -119.714
bonds (distance) P-C4' energy: -104.988
flat angles C4'-P-C4' energy: -127.254
flat angles P-C4'-P energy: -70.978
tors. eta vs tors. theta energy: -157.600
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: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2788.035426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.035426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.754686 (E_RNA)
where:
Base-Base interactions energy: -1968.992
where: short stacking energy: -817.084
Base-Backbone interact. energy: -2.461
local terms energy: -822.301418
where:
bonds (distance) C4'-P energy: -136.429
bonds (distance) P-C4' energy: -153.735
flat angles C4'-P-C4' energy: -169.308
flat angles P-C4'-P energy: -119.326
tors. eta vs tors. theta energy: -243.502
Dist. restrs. and SS energy: 5.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2641.474963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.682894 (E_RNA)
where:
Base-Base interactions energy: -1867.744
where: short stacking energy: -764.774
Base-Backbone interact. energy: -2.916
local terms energy: -778.023117
where:
bonds (distance) C4'-P energy: -142.474
bonds (distance) P-C4' energy: -144.111
flat angles C4'-P-C4' energy: -169.518
flat angles P-C4'-P energy: -91.641
tors. eta vs tors. theta energy: -230.280
Dist. restrs. and SS energy: 7.208 (S_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: 190
Temperature: 1.000000
Total energy: -2563.963863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.963863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.428164 (E_RNA)
where:
Base-Base interactions energy: -1791.871
where: short stacking energy: -766.605
Base-Backbone interact. energy: -2.301
local terms energy: -776.255782
where:
bonds (distance) C4'-P energy: -128.526
bonds (distance) P-C4' energy: -146.394
flat angles C4'-P-C4' energy: -158.268
flat angles P-C4'-P energy: -111.893
tors. eta vs tors. theta energy: -231.175
Dist. restrs. and SS energy: 6.464 (S_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: 190
Temperature: 1.050000
Total energy: -2532.859652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.859652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.527574 (E_RNA)
where:
Base-Base interactions energy: -1786.644
where: short stacking energy: -761.918
Base-Backbone interact. energy: -0.964
local terms energy: -754.919481
where:
bonds (distance) C4'-P energy: -152.869
bonds (distance) P-C4' energy: -116.737
flat angles C4'-P-C4' energy: -148.287
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -225.112
Dist. restrs. and SS energy: 9.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2333.826442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.826442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.059575 (E_RNA)
where:
Base-Base interactions energy: -1643.577
where: short stacking energy: -667.311
Base-Backbone interact. energy: -1.930
local terms energy: -701.552138
where:
bonds (distance) C4'-P energy: -138.298
bonds (distance) P-C4' energy: -123.338
flat angles C4'-P-C4' energy: -153.446
flat angles P-C4'-P energy: -95.024
tors. eta vs tors. theta energy: -191.446
Dist. restrs. and SS energy: 13.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2284.741911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.741911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.530181 (E_RNA)
where:
Base-Base interactions energy: -1628.934
where: short stacking energy: -671.132
Base-Backbone interact. energy: -2.585
local terms energy: -661.010776
where:
bonds (distance) C4'-P energy: -135.667
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -139.187
flat angles P-C4'-P energy: -86.734
tors. eta vs tors. theta energy: -180.737
Dist. restrs. and SS energy: 7.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2294.262659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.262659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.270235 (E_RNA)
where:
Base-Base interactions energy: -1607.231
where: short stacking energy: -684.869
Base-Backbone interact. energy: 2.619
local terms energy: -698.658718
where:
bonds (distance) C4'-P energy: -122.304
bonds (distance) P-C4' energy: -128.087
flat angles C4'-P-C4' energy: -146.603
flat angles P-C4'-P energy: -96.956
tors. eta vs tors. theta energy: -204.709
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2142.659059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.659059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.167656 (E_RNA)
where:
Base-Base interactions energy: -1496.589
where: short stacking energy: -615.861
Base-Backbone interact. energy: -3.224
local terms energy: -656.354246
where:
bonds (distance) C4'-P energy: -118.330
bonds (distance) P-C4' energy: -112.005
flat angles C4'-P-C4' energy: -151.649
flat angles P-C4'-P energy: -93.975
tors. eta vs tors. theta energy: -180.396
Dist. restrs. and SS energy: 13.509 (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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -2095.608256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.608256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.573824 (E_RNA)
where:
Base-Base interactions energy: -1487.287
where: short stacking energy: -619.380
Base-Backbone interact. energy: -1.721
local terms energy: -626.565969
where:
bonds (distance) C4'-P energy: -128.528
bonds (distance) P-C4' energy: -117.195
flat angles C4'-P-C4' energy: -126.498
flat angles P-C4'-P energy: -76.834
tors. eta vs tors. theta energy: -177.512
Dist. restrs. and SS energy: 19.966 (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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1957.621346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.621346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.250309 (E_RNA)
where:
Base-Base interactions energy: -1385.430
where: short stacking energy: -577.800
Base-Backbone interact. energy: 1.480
local terms energy: -587.300766
where:
bonds (distance) C4'-P energy: -104.101
bonds (distance) P-C4' energy: -110.595
flat angles C4'-P-C4' energy: -141.542
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -145.586
Dist. restrs. and SS energy: 13.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2761.688846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.688846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.583065 (E_RNA)
where:
Base-Base interactions energy: -1918.232
where: short stacking energy: -806.593
Base-Backbone interact. energy: -3.394
local terms energy: -844.957012
where:
bonds (distance) C4'-P energy: -154.000
bonds (distance) P-C4' energy: -145.241
flat angles C4'-P-C4' energy: -178.719
flat angles P-C4'-P energy: -120.114
tors. eta vs tors. theta energy: -246.884
Dist. restrs. and SS energy: 4.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2655.261208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.261208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.575874 (E_RNA)
where:
Base-Base interactions energy: -1902.125
where: short stacking energy: -769.560
Base-Backbone interact. energy: -2.218
local terms energy: -759.233477
where:
bonds (distance) C4'-P energy: -138.423
bonds (distance) P-C4' energy: -151.730
flat angles C4'-P-C4' energy: -137.843
flat angles P-C4'-P energy: -103.227
tors. eta vs tors. theta energy: -228.010
Dist. restrs. and SS energy: 8.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2579.660290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.660290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.807188 (E_RNA)
where:
Base-Base interactions energy: -1805.380
where: short stacking energy: -760.939
Base-Backbone interact. energy: -1.987
local terms energy: -777.440937
where:
bonds (distance) C4'-P energy: -139.337
bonds (distance) P-C4' energy: -138.437
flat angles C4'-P-C4' energy: -159.509
flat angles P-C4'-P energy: -114.407
tors. eta vs tors. theta energy: -225.752
Dist. restrs. and SS energy: 5.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2524.392813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.392813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.775507 (E_RNA)
where:
Base-Base interactions energy: -1782.184
where: short stacking energy: -750.091
Base-Backbone interact. energy: -0.648
local terms energy: -748.943078
where:
bonds (distance) C4'-P energy: -140.874
bonds (distance) P-C4' energy: -125.931
flat angles C4'-P-C4' energy: -151.535
flat angles P-C4'-P energy: -103.981
tors. eta vs tors. theta energy: -226.622
Dist. restrs. and SS energy: 7.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2337.346945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.346945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.020991 (E_RNA)
where:
Base-Base interactions energy: -1664.587
where: short stacking energy: -710.835
Base-Backbone interact. energy: -2.211
local terms energy: -682.222257
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -124.948
flat angles C4'-P-C4' energy: -153.391
flat angles P-C4'-P energy: -88.857
tors. eta vs tors. theta energy: -199.410
Dist. restrs. and SS energy: 11.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2326.525053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.525053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.864725 (E_RNA)
where:
Base-Base interactions energy: -1644.144
where: short stacking energy: -683.031
Base-Backbone interact. energy: -2.853
local terms energy: -690.866867
where:
bonds (distance) C4'-P energy: -123.374
bonds (distance) P-C4' energy: -114.085
flat angles C4'-P-C4' energy: -161.992
flat angles P-C4'-P energy: -87.955
tors. eta vs tors. theta energy: -203.461
Dist. restrs. and SS energy: 11.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2303.940229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.940229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.200237 (E_RNA)
where:
Base-Base interactions energy: -1630.934
where: short stacking energy: -690.985
Base-Backbone interact. energy: 0.768
local terms energy: -685.033605
where:
bonds (distance) C4'-P energy: -102.731
bonds (distance) P-C4' energy: -138.385
flat angles C4'-P-C4' energy: -156.339
flat angles P-C4'-P energy: -88.814
tors. eta vs tors. theta energy: -198.765
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: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2109.667877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.667877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.193128 (E_RNA)
where:
Base-Base interactions energy: -1487.792
where: short stacking energy: -605.713
Base-Backbone interact. energy: -2.756
local terms energy: -635.645011
where:
bonds (distance) C4'-P energy: -126.601
bonds (distance) P-C4' energy: -108.342
flat angles C4'-P-C4' energy: -149.915
flat angles P-C4'-P energy: -82.454
tors. eta vs tors. theta energy: -168.332
Dist. restrs. and SS energy: 16.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -2087.069489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.069489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.621702 (E_RNA)
where:
Base-Base interactions energy: -1489.336
where: short stacking energy: -618.561
Base-Backbone interact. energy: -4.492
local terms energy: -604.793750
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -107.291
flat angles C4'-P-C4' energy: -125.176
flat angles P-C4'-P energy: -88.064
tors. eta vs tors. theta energy: -180.352
Dist. restrs. and SS energy: 11.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -2003.511503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.511503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.208225 (E_RNA)
where:
Base-Base interactions energy: -1433.749
where: short stacking energy: -604.137
Base-Backbone interact. energy: -3.950
local terms energy: -581.508980
where:
bonds (distance) C4'-P energy: -115.090
bonds (distance) P-C4' energy: -98.488
flat angles C4'-P-C4' energy: -127.936
flat angles P-C4'-P energy: -71.731
tors. eta vs tors. theta energy: -168.265
Dist. restrs. and SS energy: 15.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2781.926025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.926025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.831074 (E_RNA)
where:
Base-Base interactions energy: -1955.493
where: short stacking energy: -841.192
Base-Backbone interact. energy: -1.810
local terms energy: -828.528180
where:
bonds (distance) C4'-P energy: -140.771
bonds (distance) P-C4' energy: -146.628
flat angles C4'-P-C4' energy: -165.159
flat angles P-C4'-P energy: -118.661
tors. eta vs tors. theta energy: -257.309
Dist. restrs. and SS energy: 3.905 (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: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2673.487626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.487626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.916911 (E_RNA)
where:
Base-Base interactions energy: -1885.013
where: short stacking energy: -801.263
Base-Backbone interact. energy: -1.381
local terms energy: -793.522945
where:
bonds (distance) C4'-P energy: -137.365
bonds (distance) P-C4' energy: -126.850
flat angles C4'-P-C4' energy: -169.664
flat angles P-C4'-P energy: -118.370
tors. eta vs tors. theta energy: -241.275
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: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2596.391414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.391414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.971145 (E_RNA)
where:
Base-Base interactions energy: -1837.972
where: short stacking energy: -768.479
Base-Backbone interact. energy: -1.172
local terms energy: -765.827683
where:
bonds (distance) C4'-P energy: -144.245
bonds (distance) P-C4' energy: -142.303
flat angles C4'-P-C4' energy: -149.808
flat angles P-C4'-P energy: -102.662
tors. eta vs tors. theta energy: -226.810
Dist. restrs. and SS energy: 8.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2501.306767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.306767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.417345 (E_RNA)
where:
Base-Base interactions energy: -1770.199
where: short stacking energy: -742.753
Base-Backbone interact. energy: 1.467
local terms energy: -741.685429
where:
bonds (distance) C4'-P energy: -137.001
bonds (distance) P-C4' energy: -147.078
flat angles C4'-P-C4' energy: -138.323
flat angles P-C4'-P energy: -99.762
tors. eta vs tors. theta energy: -219.521
Dist. restrs. and SS energy: 9.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2392.700006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.700006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.951264 (E_RNA)
where:
Base-Base interactions energy: -1661.135
where: short stacking energy: -690.178
Base-Backbone interact. energy: -2.117
local terms energy: -740.698811
where:
bonds (distance) C4'-P energy: -147.784
bonds (distance) P-C4' energy: -135.687
flat angles C4'-P-C4' energy: -163.852
flat angles P-C4'-P energy: -91.382
tors. eta vs tors. theta energy: -201.994
Dist. restrs. and SS energy: 11.251 (S_DIST_RNA)
chem. 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: -2331.254347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.254347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.488773 (E_RNA)
where:
Base-Base interactions energy: -1659.962
where: short stacking energy: -705.299
Base-Backbone interact. energy: 0.746
local terms energy: -686.273049
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -122.345
flat angles C4'-P-C4' energy: -148.498
flat angles P-C4'-P energy: -109.808
tors. eta vs tors. theta energy: -203.054
Dist. restrs. and SS energy: 14.234 (S_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: 192
Temperature: 1.200000
Total energy: -2310.150076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.150076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.480792 (E_RNA)
where:
Base-Base interactions energy: -1655.270
where: short stacking energy: -680.972
Base-Backbone interact. energy: 0.278
local terms energy: -666.489252
where:
bonds (distance) C4'-P energy: -114.268
bonds (distance) P-C4' energy: -124.205
flat angles C4'-P-C4' energy: -135.569
flat angles P-C4'-P energy: -85.629
tors. eta vs tors. theta energy: -206.819
Dist. restrs. and SS energy: 11.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2165.882565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.882565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.497273 (E_RNA)
where:
Base-Base interactions energy: -1505.724
where: short stacking energy: -632.986
Base-Backbone interact. energy: -1.337
local terms energy: -671.436899
where:
bonds (distance) C4'-P energy: -115.195
bonds (distance) P-C4' energy: -124.731
flat angles C4'-P-C4' energy: -139.226
flat angles P-C4'-P energy: -104.259
tors. eta vs tors. theta energy: -188.025
Dist. restrs. and SS energy: 12.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -2090.976586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.976586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.241148 (E_RNA)
where:
Base-Base interactions energy: -1481.906
where: short stacking energy: -608.389
Base-Backbone interact. energy: -0.039
local terms energy: -626.296468
where:
bonds (distance) C4'-P energy: -95.280
bonds (distance) P-C4' energy: -115.259
flat angles C4'-P-C4' energy: -135.727
flat angles P-C4'-P energy: -92.743
tors. eta vs tors. theta energy: -187.288
Dist. restrs. and SS energy: 17.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1974.831864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.759568 (E_RNA)
where:
Base-Base interactions energy: -1411.303
where: short stacking energy: -592.201
Base-Backbone interact. energy: 3.292
local terms energy: -588.748059
where:
bonds (distance) C4'-P energy: -82.157
bonds (distance) P-C4' energy: -122.902
flat angles C4'-P-C4' energy: -131.685
flat angles P-C4'-P energy: -92.709
tors. eta vs tors. theta energy: -159.294
Dist. restrs. and SS energy: 21.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2793.526506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.526506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.191188 (E_RNA)
where:
Base-Base interactions energy: -1962.578
where: short stacking energy: -835.891
Base-Backbone interact. energy: -3.652
local terms energy: -832.960927
where:
bonds (distance) C4'-P energy: -143.820
bonds (distance) P-C4' energy: -139.858
flat angles C4'-P-C4' energy: -175.996
flat angles P-C4'-P energy: -124.341
tors. eta vs tors. theta energy: -248.946
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: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2691.588220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.588220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.657648 (E_RNA)
where:
Base-Base interactions energy: -1905.278
where: short stacking energy: -782.111
Base-Backbone interact. energy: 0.663
local terms energy: -792.042905
where:
bonds (distance) C4'-P energy: -145.831
bonds (distance) P-C4' energy: -148.872
flat angles C4'-P-C4' energy: -170.604
flat angles P-C4'-P energy: -93.046
tors. eta vs tors. theta energy: -233.689
Dist. restrs. and SS energy: 5.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2590.141568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.141568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.279752 (E_RNA)
where:
Base-Base interactions energy: -1811.775
where: short stacking energy: -782.413
Base-Backbone interact. energy: -0.285
local terms energy: -782.218971
where:
bonds (distance) C4'-P energy: -147.768
bonds (distance) P-C4' energy: -151.591
flat angles C4'-P-C4' energy: -146.335
flat angles P-C4'-P energy: -117.191
tors. eta vs tors. theta energy: -219.335
Dist. restrs. and SS energy: 4.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2503.823889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.823889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.769834 (E_RNA)
where:
Base-Base interactions energy: -1738.579
where: short stacking energy: -749.558
Base-Backbone interact. energy: -1.255
local terms energy: -769.935387
where:
bonds (distance) C4'-P energy: -150.904
bonds (distance) P-C4' energy: -126.574
flat angles C4'-P-C4' energy: -150.660
flat angles P-C4'-P energy: -112.055
tors. eta vs tors. theta energy: -229.743
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: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2373.021132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.021132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.414297 (E_RNA)
where:
Base-Base interactions energy: -1700.455
where: short stacking energy: -696.634
Base-Backbone interact. energy: -2.458
local terms energy: -683.500680
where:
bonds (distance) C4'-P energy: -119.532
bonds (distance) P-C4' energy: -131.525
flat angles C4'-P-C4' energy: -152.117
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -196.212
Dist. restrs. and SS energy: 13.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2370.131486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.131486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.021406 (E_RNA)
where:
Base-Base interactions energy: -1696.265
where: short stacking energy: -729.986
Base-Backbone interact. energy: -1.663
local terms energy: -686.093998
where:
bonds (distance) C4'-P energy: -115.460
bonds (distance) P-C4' energy: -115.963
flat angles C4'-P-C4' energy: -145.519
flat angles P-C4'-P energy: -93.995
tors. eta vs tors. theta energy: -215.156
Dist. restrs. and SS energy: 13.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2266.837736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.837736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.354079 (E_RNA)
where:
Base-Base interactions energy: -1632.957
where: short stacking energy: -687.120
Base-Backbone interact. energy: -2.969
local terms energy: -641.427688
where:
bonds (distance) C4'-P energy: -96.510
bonds (distance) P-C4' energy: -112.855
flat angles C4'-P-C4' energy: -131.359
flat angles P-C4'-P energy: -87.612
tors. eta vs tors. theta energy: -213.091
Dist. restrs. and SS energy: 10.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2133.674694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.674694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.399224 (E_RNA)
where:
Base-Base interactions energy: -1510.346
where: short stacking energy: -626.287
Base-Backbone interact. energy: -4.312
local terms energy: -627.741302
where:
bonds (distance) C4'-P energy: -115.297
bonds (distance) P-C4' energy: -114.730
flat angles C4'-P-C4' energy: -126.580
flat angles P-C4'-P energy: -89.021
tors. eta vs tors. theta energy: -182.113
Dist. restrs. and SS energy: 8.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -2058.478757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.478757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.538155 (E_RNA)
where:
Base-Base interactions energy: -1465.308
where: short stacking energy: -603.361
Base-Backbone interact. energy: -3.099
local terms energy: -603.131388
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -112.572
flat angles C4'-P-C4' energy: -134.692
flat angles P-C4'-P energy: -74.388
tors. eta vs tors. theta energy: -175.029
Dist. restrs. and SS energy: 13.059 (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: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -2029.146566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.146566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.484122 (E_RNA)
where:
Base-Base interactions energy: -1454.353
where: short stacking energy: -624.075
Base-Backbone interact. energy: -1.245
local terms energy: -590.886420
where:
bonds (distance) C4'-P energy: -95.492
bonds (distance) P-C4' energy: -94.002
flat angles C4'-P-C4' energy: -137.472
flat angles P-C4'-P energy: -76.249
tors. eta vs tors. theta energy: -187.672
Dist. restrs. and SS energy: 17.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2823.787211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.787211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.893344 (E_RNA)
where:
Base-Base interactions energy: -1972.932
where: short stacking energy: -808.919
Base-Backbone interact. energy: -1.275
local terms energy: -853.686230
where:
bonds (distance) C4'-P energy: -162.259
bonds (distance) P-C4' energy: -143.424
flat angles C4'-P-C4' energy: -176.536
flat angles P-C4'-P energy: -126.753
tors. eta vs tors. theta energy: -244.716
Dist. restrs. and SS energy: 4.106 (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: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2680.460207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.460207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.589292 (E_RNA)
where:
Base-Base interactions energy: -1903.994
where: short stacking energy: -784.718
Base-Backbone interact. energy: 0.051
local terms energy: -783.645594
where:
bonds (distance) C4'-P energy: -131.800
bonds (distance) P-C4' energy: -138.236
flat angles C4'-P-C4' energy: -164.763
flat angles P-C4'-P energy: -116.153
tors. eta vs tors. theta energy: -232.693
Dist. restrs. and SS energy: 7.129 (S_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: -2565.231401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.231401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.259621 (E_RNA)
where:
Base-Base interactions energy: -1788.643
where: short stacking energy: -771.520
Base-Backbone interact. energy: -0.940
local terms energy: -779.675986
where:
bonds (distance) C4'-P energy: -142.223
bonds (distance) P-C4' energy: -129.340
flat angles C4'-P-C4' energy: -165.804
flat angles P-C4'-P energy: -116.565
tors. eta vs tors. theta energy: -225.744
Dist. restrs. and SS energy: 4.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2485.081385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.081385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.091116 (E_RNA)
where:
Base-Base interactions energy: -1722.455
where: short stacking energy: -723.744
Base-Backbone interact. energy: -0.635
local terms energy: -770.001111
where:
bonds (distance) C4'-P energy: -134.228
bonds (distance) P-C4' energy: -146.058
flat angles C4'-P-C4' energy: -160.304
flat angles P-C4'-P energy: -104.581
tors. eta vs tors. theta energy: -224.830
Dist. restrs. and SS energy: 8.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2396.949632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.949632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.628850 (E_RNA)
where:
Base-Base interactions energy: -1680.617
where: short stacking energy: -719.984
Base-Backbone interact. energy: 1.049
local terms energy: -729.060113
where:
bonds (distance) C4'-P energy: -131.589
bonds (distance) P-C4' energy: -133.523
flat angles C4'-P-C4' energy: -142.426
flat angles P-C4'-P energy: -107.276
tors. eta vs tors. theta energy: -214.245
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: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2288.811540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.811540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.948417 (E_RNA)
where:
Base-Base interactions energy: -1612.720
where: short stacking energy: -680.672
Base-Backbone interact. energy: -4.415
local terms energy: -691.813068
where:
bonds (distance) C4'-P energy: -119.383
bonds (distance) P-C4' energy: -127.959
flat angles C4'-P-C4' energy: -145.057
flat angles P-C4'-P energy: -93.929
tors. eta vs tors. theta energy: -205.486
Dist. restrs. and SS energy: 20.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2230.947337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.947337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.870625 (E_RNA)
where:
Base-Base interactions energy: -1596.560
where: short stacking energy: -662.459
Base-Backbone interact. energy: 0.461
local terms energy: -648.771241
where:
bonds (distance) C4'-P energy: -110.741
bonds (distance) P-C4' energy: -104.358
flat angles C4'-P-C4' energy: -155.445
flat angles P-C4'-P energy: -89.894
tors. eta vs tors. theta energy: -188.333
Dist. restrs. and SS energy: 13.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2139.691726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.691726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.513197 (E_RNA)
where:
Base-Base interactions energy: -1508.913
where: short stacking energy: -626.631
Base-Backbone interact. energy: 0.710
local terms energy: -644.310345
where:
bonds (distance) C4'-P energy: -117.010
bonds (distance) P-C4' energy: -128.098
flat angles C4'-P-C4' energy: -135.825
flat angles P-C4'-P energy: -84.570
tors. eta vs tors. theta energy: -178.809
Dist. restrs. and SS energy: 12.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -2080.499446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.499446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.685806 (E_RNA)
where:
Base-Base interactions energy: -1471.315
where: short stacking energy: -620.657
Base-Backbone interact. energy: -2.639
local terms energy: -621.731411
where:
bonds (distance) C4'-P energy: -116.717
bonds (distance) P-C4' energy: -120.454
flat angles C4'-P-C4' energy: -134.320
flat angles P-C4'-P energy: -80.458
tors. eta vs tors. theta energy: -169.784
Dist. restrs. and SS energy: 15.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -2026.584793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.584793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.706240 (E_RNA)
where:
Base-Base interactions energy: -1436.561
where: short stacking energy: -596.448
Base-Backbone interact. energy: -0.726
local terms energy: -604.419264
where:
bonds (distance) C4'-P energy: -103.291
bonds (distance) P-C4' energy: -112.980
flat angles C4'-P-C4' energy: -132.674
flat angles P-C4'-P energy: -88.553
tors. eta vs tors. theta energy: -166.921
Dist. restrs. and SS energy: 15.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2816.889831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.889831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.910000 (E_RNA)
where:
Base-Base interactions energy: -1991.020
where: short stacking energy: -811.157
Base-Backbone interact. energy: -0.112
local terms energy: -828.777878
where:
bonds (distance) C4'-P energy: -137.236
bonds (distance) P-C4' energy: -149.769
flat angles C4'-P-C4' energy: -167.244
flat angles P-C4'-P energy: -127.741
tors. eta vs tors. theta energy: -246.787
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2689.689704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.689704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.667347 (E_RNA)
where:
Base-Base interactions energy: -1897.298
where: short stacking energy: -784.832
Base-Backbone interact. energy: -3.065
local terms energy: -796.303974
where:
bonds (distance) C4'-P energy: -142.487
bonds (distance) P-C4' energy: -134.923
flat angles C4'-P-C4' energy: -161.607
flat angles P-C4'-P energy: -117.612
tors. eta vs tors. theta energy: -239.676
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: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2546.502085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.502085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.479806 (E_RNA)
where:
Base-Base interactions energy: -1769.460
where: short stacking energy: -772.625
Base-Backbone interact. energy: -0.474
local terms energy: -780.546049
where:
bonds (distance) C4'-P energy: -129.850
bonds (distance) P-C4' energy: -139.798
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -107.978
tors. eta vs tors. theta energy: -237.675
Dist. restrs. and SS energy: 3.978 (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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2451.612375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.612375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.642501 (E_RNA)
where:
Base-Base interactions energy: -1705.508
where: short stacking energy: -738.559
Base-Backbone interact. energy: 1.040
local terms energy: -753.174008
where:
bonds (distance) C4'-P energy: -142.008
bonds (distance) P-C4' energy: -132.924
flat angles C4'-P-C4' energy: -155.401
flat angles P-C4'-P energy: -100.293
tors. eta vs tors. theta energy: -222.547
Dist. restrs. and SS energy: 6.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2421.466287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.466287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.499306 (E_RNA)
where:
Base-Base interactions energy: -1707.005
where: short stacking energy: -725.284
Base-Backbone interact. energy: -3.906
local terms energy: -721.588924
where:
bonds (distance) C4'-P energy: -132.357
bonds (distance) P-C4' energy: -130.100
flat angles C4'-P-C4' energy: -149.265
flat angles P-C4'-P energy: -101.163
tors. eta vs tors. theta energy: -208.704
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: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2253.636545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.636545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.181111 (E_RNA)
where:
Base-Base interactions energy: -1584.039
where: short stacking energy: -672.596
Base-Backbone interact. energy: -0.174
local terms energy: -689.968669
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -132.849
flat angles C4'-P-C4' energy: -141.720
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -194.110
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: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2288.655980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.655980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.706986 (E_RNA)
where:
Base-Base interactions energy: -1601.223
where: short stacking energy: -700.490
Base-Backbone interact. energy: -1.133
local terms energy: -694.350704
where:
bonds (distance) C4'-P energy: -134.818
bonds (distance) P-C4' energy: -129.944
flat angles C4'-P-C4' energy: -141.455
flat angles P-C4'-P energy: -88.746
tors. eta vs tors. theta energy: -199.388
Dist. restrs. and SS energy: 8.051 (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: 195
Temperature: 1.250000
Total energy: -2109.118372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.118372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.000630 (E_RNA)
where:
Base-Base interactions energy: -1470.915
where: short stacking energy: -592.977
Base-Backbone interact. energy: 3.184
local terms energy: -651.269395
where:
bonds (distance) C4'-P energy: -122.884
bonds (distance) P-C4' energy: -131.415
flat angles C4'-P-C4' energy: -147.408
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -179.963
Dist. restrs. and SS energy: 9.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -2091.284772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.284772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.381392 (E_RNA)
where:
Base-Base interactions energy: -1489.965
where: short stacking energy: -594.538
Base-Backbone interact. energy: 1.059
local terms energy: -612.475247
where:
bonds (distance) C4'-P energy: -110.512
bonds (distance) P-C4' energy: -127.195
flat angles C4'-P-C4' energy: -126.842
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -167.082
Dist. restrs. and SS energy: 10.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -2013.342283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.342283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.860311 (E_RNA)
where:
Base-Base interactions energy: -1393.343
where: short stacking energy: -575.459
Base-Backbone interact. energy: -0.941
local terms energy: -635.576307
where:
bonds (distance) C4'-P energy: -106.242
bonds (distance) P-C4' energy: -139.791
flat angles C4'-P-C4' energy: -130.381
flat angles P-C4'-P energy: -100.614
tors. eta vs tors. theta energy: -158.548
Dist. restrs. and SS energy: 16.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2784.921347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.921347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.662713 (E_RNA)
where:
Base-Base interactions energy: -1949.768
where: short stacking energy: -826.386
Base-Backbone interact. energy: -4.092
local terms energy: -835.802902
where:
bonds (distance) C4'-P energy: -150.405
bonds (distance) P-C4' energy: -146.190
flat angles C4'-P-C4' energy: -175.510
flat angles P-C4'-P energy: -119.732
tors. eta vs tors. theta energy: -243.966
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2716.730226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.730226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.922027 (E_RNA)
where:
Base-Base interactions energy: -1912.593
where: short stacking energy: -795.661
Base-Backbone interact. energy: -3.370
local terms energy: -808.958201
where:
bonds (distance) C4'-P energy: -144.134
bonds (distance) P-C4' energy: -135.052
flat angles C4'-P-C4' energy: -162.828
flat angles P-C4'-P energy: -122.653
tors. eta vs tors. theta energy: -244.291
Dist. restrs. and SS energy: 8.192 (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: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2588.017719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.017719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.107574 (E_RNA)
where:
Base-Base interactions energy: -1813.590
where: short stacking energy: -776.905
Base-Backbone interact. energy: -3.454
local terms energy: -776.063411
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -138.108
flat angles C4'-P-C4' energy: -158.203
flat angles P-C4'-P energy: -110.888
tors. eta vs tors. theta energy: -230.759
Dist. restrs. and SS energy: 5.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2471.875118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.875118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.913466 (E_RNA)
where:
Base-Base interactions energy: -1748.930
where: short stacking energy: -749.525
Base-Backbone interact. energy: 2.193
local terms energy: -731.176632
where:
bonds (distance) C4'-P energy: -122.868
bonds (distance) P-C4' energy: -118.141
flat angles C4'-P-C4' energy: -165.090
flat angles P-C4'-P energy: -106.984
tors. eta vs tors. theta energy: -218.093
Dist. restrs. and SS energy: 6.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2446.396823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.396823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.921365 (E_RNA)
where:
Base-Base interactions energy: -1700.971
where: short stacking energy: -733.247
Base-Backbone interact. energy: -3.471
local terms energy: -751.479438
where:
bonds (distance) C4'-P energy: -122.144
bonds (distance) P-C4' energy: -145.152
flat angles C4'-P-C4' energy: -166.586
flat angles P-C4'-P energy: -100.754
tors. eta vs tors. theta energy: -216.843
Dist. restrs. and SS energy: 9.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2291.495031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.495031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.322388 (E_RNA)
where:
Base-Base interactions energy: -1597.066
where: short stacking energy: -630.919
Base-Backbone interact. energy: -4.436
local terms energy: -701.820391
where:
bonds (distance) C4'-P energy: -121.406
bonds (distance) P-C4' energy: -128.334
flat angles C4'-P-C4' energy: -162.103
flat angles P-C4'-P energy: -101.501
tors. eta vs tors. theta energy: -188.477
Dist. restrs. and SS energy: 11.827 (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: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2284.180194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.180194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.532544 (E_RNA)
where:
Base-Base interactions energy: -1604.263
where: short stacking energy: -681.446
Base-Backbone interact. energy: -0.581
local terms energy: -686.688610
where:
bonds (distance) C4'-P energy: -127.601
bonds (distance) P-C4' energy: -126.623
flat angles C4'-P-C4' energy: -148.827
flat angles P-C4'-P energy: -86.200
tors. eta vs tors. theta energy: -197.437
Dist. restrs. and SS energy: 7.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2116.385869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.385869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.647308 (E_RNA)
where:
Base-Base interactions energy: -1511.234
where: short stacking energy: -620.997
Base-Backbone interact. energy: -0.284
local terms energy: -622.129204
where:
bonds (distance) C4'-P energy: -115.768
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -135.407
flat angles P-C4'-P energy: -84.141
tors. eta vs tors. theta energy: -175.656
Dist. restrs. and SS energy: 17.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -2097.773436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.773436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.670358 (E_RNA)
where:
Base-Base interactions energy: -1483.733
where: short stacking energy: -613.528
Base-Backbone interact. energy: 1.669
local terms energy: -625.605637
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -131.471
flat angles P-C4'-P energy: -85.035
tors. eta vs tors. theta energy: -175.150
Dist. restrs. and SS energy: 9.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1980.582552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.582552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.312769 (E_RNA)
where:
Base-Base interactions energy: -1423.190
where: short stacking energy: -585.586
Base-Backbone interact. energy: -3.552
local terms energy: -585.571328
where:
bonds (distance) C4'-P energy: -95.881
bonds (distance) P-C4' energy: -114.169
flat angles C4'-P-C4' energy: -135.592
flat angles P-C4'-P energy: -72.060
tors. eta vs tors. theta energy: -167.870
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: 197
Temperature: 0.900000
Total energy: -2797.454493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.454493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.302082 (E_RNA)
where:
Base-Base interactions energy: -1969.369
where: short stacking energy: -832.073
Base-Backbone interact. energy: -0.077
local terms energy: -830.855481
where:
bonds (distance) C4'-P energy: -136.570
bonds (distance) P-C4' energy: -151.520
flat angles C4'-P-C4' energy: -163.839
flat angles P-C4'-P energy: -125.578
tors. eta vs tors. theta energy: -253.348
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2684.173357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.173357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.369756 (E_RNA)
where:
Base-Base interactions energy: -1880.846
where: short stacking energy: -805.947
Base-Backbone interact. energy: -3.068
local terms energy: -807.455738
where:
bonds (distance) C4'-P energy: -137.823
bonds (distance) P-C4' energy: -154.991
flat angles C4'-P-C4' energy: -162.316
flat angles P-C4'-P energy: -102.005
tors. eta vs tors. theta energy: -250.320
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: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2548.072787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.072787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.502658 (E_RNA)
where:
Base-Base interactions energy: -1803.215
where: short stacking energy: -777.604
Base-Backbone interact. energy: 0.300
local terms energy: -752.587946
where:
bonds (distance) C4'-P energy: -138.382
bonds (distance) P-C4' energy: -132.343
flat angles C4'-P-C4' energy: -153.938
flat angles P-C4'-P energy: -95.724
tors. eta vs tors. theta energy: -232.202
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: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2465.099994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.099994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.779135 (E_RNA)
where:
Base-Base interactions energy: -1749.594
where: short stacking energy: -735.883
Base-Backbone interact. energy: 0.294
local terms energy: -724.478737
where:
bonds (distance) C4'-P energy: -124.866
bonds (distance) P-C4' energy: -129.759
flat angles C4'-P-C4' energy: -160.777
flat angles P-C4'-P energy: -100.552
tors. eta vs tors. theta energy: -208.525
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2417.068295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.919827 (E_RNA)
where:
Base-Base interactions energy: -1704.093
where: short stacking energy: -724.072
Base-Backbone interact. energy: -4.252
local terms energy: -714.573946
where:
bonds (distance) C4'-P energy: -121.617
bonds (distance) P-C4' energy: -126.105
flat angles C4'-P-C4' energy: -152.639
flat angles P-C4'-P energy: -95.423
tors. eta vs tors. theta energy: -218.790
Dist. restrs. and SS energy: 5.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2274.061142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.061142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.940768 (E_RNA)
where:
Base-Base interactions energy: -1608.354
where: short stacking energy: -653.916
Base-Backbone interact. energy: -3.559
local terms energy: -673.028192
where:
bonds (distance) C4'-P energy: -128.048
bonds (distance) P-C4' energy: -110.479
flat angles C4'-P-C4' energy: -154.660
flat angles P-C4'-P energy: -85.750
tors. eta vs tors. theta energy: -194.091
Dist. restrs. and SS energy: 10.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2203.092875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.092875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.345086 (E_RNA)
where:
Base-Base interactions energy: -1548.705
where: short stacking energy: -620.323
Base-Backbone interact. energy: -3.196
local terms energy: -664.443750
where:
bonds (distance) C4'-P energy: -129.191
bonds (distance) P-C4' energy: -113.482
flat angles C4'-P-C4' energy: -161.955
flat angles P-C4'-P energy: -78.302
tors. eta vs tors. theta energy: -181.514
Dist. restrs. and SS energy: 13.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2124.044235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.044235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.269027 (E_RNA)
where:
Base-Base interactions energy: -1510.541
where: short stacking energy: -628.902
Base-Backbone interact. energy: -4.560
local terms energy: -621.168123
where:
bonds (distance) C4'-P energy: -121.094
bonds (distance) P-C4' energy: -117.922
flat angles C4'-P-C4' energy: -133.071
flat angles P-C4'-P energy: -83.968
tors. eta vs tors. theta energy: -165.113
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -2073.911851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.911851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.339805 (E_RNA)
where:
Base-Base interactions energy: -1469.222
where: short stacking energy: -598.727
Base-Backbone interact. energy: -1.905
local terms energy: -617.213329
where:
bonds (distance) C4'-P energy: -114.270
bonds (distance) P-C4' energy: -123.971
flat angles C4'-P-C4' energy: -137.105
flat angles P-C4'-P energy: -76.220
tors. eta vs tors. theta energy: -165.647
Dist. restrs. and SS energy: 14.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -2012.590964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.590964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.221761 (E_RNA)
where:
Base-Base interactions energy: -1416.368
where: short stacking energy: -571.544
Base-Backbone interact. energy: 0.718
local terms energy: -620.571728
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -124.822
flat angles C4'-P-C4' energy: -138.482
flat angles P-C4'-P energy: -95.380
tors. eta vs tors. theta energy: -158.533
Dist. restrs. and SS energy: 23.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2780.459980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.459980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.490996 (E_RNA)
where:
Base-Base interactions energy: -1939.193
where: short stacking energy: -810.078
Base-Backbone interact. energy: -0.885
local terms energy: -843.413104
where:
bonds (distance) C4'-P energy: -160.085
bonds (distance) P-C4' energy: -149.770
flat angles C4'-P-C4' energy: -181.380
flat angles P-C4'-P energy: -108.128
tors. eta vs tors. theta energy: -244.050
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2639.913683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.913683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.997273 (E_RNA)
where:
Base-Base interactions energy: -1853.162
where: short stacking energy: -787.067
Base-Backbone interact. energy: -2.702
local terms energy: -791.133300
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -144.547
flat angles C4'-P-C4' energy: -154.437
flat angles P-C4'-P energy: -113.087
tors. eta vs tors. theta energy: -240.213
Dist. restrs. and SS energy: 7.084 (S_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: -2587.713577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.713577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.278644 (E_RNA)
where:
Base-Base interactions energy: -1806.417
where: short stacking energy: -778.919
Base-Backbone interact. energy: -0.334
local terms energy: -786.527406
where:
bonds (distance) C4'-P energy: -141.724
bonds (distance) P-C4' energy: -142.287
flat angles C4'-P-C4' energy: -155.420
flat angles P-C4'-P energy: -115.280
tors. eta vs tors. theta energy: -231.817
Dist. restrs. and SS energy: 5.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2504.064405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.064405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.618460 (E_RNA)
where:
Base-Base interactions energy: -1735.798
where: short stacking energy: -699.643
Base-Backbone interact. energy: -4.509
local terms energy: -775.311139
where:
bonds (distance) C4'-P energy: -149.594
bonds (distance) P-C4' energy: -141.567
flat angles C4'-P-C4' energy: -171.191
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -216.864
Dist. restrs. and SS energy: 11.554 (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: 198
Temperature: 1.100000
Total energy: -2398.079838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.079838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.194549 (E_RNA)
where:
Base-Base interactions energy: -1656.297
where: short stacking energy: -672.764
Base-Backbone interact. energy: -1.394
local terms energy: -748.503828
where:
bonds (distance) C4'-P energy: -133.567
bonds (distance) P-C4' energy: -144.721
flat angles C4'-P-C4' energy: -159.769
flat angles P-C4'-P energy: -107.290
tors. eta vs tors. theta energy: -203.158
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2297.577540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.577540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.838416 (E_RNA)
where:
Base-Base interactions energy: -1618.687
where: short stacking energy: -685.683
Base-Backbone interact. energy: -0.891
local terms energy: -686.260851
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -140.184
flat angles C4'-P-C4' energy: -147.581
flat angles P-C4'-P energy: -98.348
tors. eta vs tors. theta energy: -197.580
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: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2232.419739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.419739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.148520 (E_RNA)
where:
Base-Base interactions energy: -1575.883
where: short stacking energy: -668.825
Base-Backbone interact. energy: -1.680
local terms energy: -668.585538
where:
bonds (distance) C4'-P energy: -107.627
bonds (distance) P-C4' energy: -127.845
flat angles C4'-P-C4' energy: -143.810
flat angles P-C4'-P energy: -97.467
tors. eta vs tors. theta energy: -191.836
Dist. restrs. and SS energy: 13.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2141.871467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.871467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.228425 (E_RNA)
where:
Base-Base interactions energy: -1522.303
where: short stacking energy: -619.577
Base-Backbone interact. energy: -2.242
local terms energy: -628.683102
where:
bonds (distance) C4'-P energy: -104.704
bonds (distance) P-C4' energy: -119.232
flat angles C4'-P-C4' energy: -152.486
flat angles P-C4'-P energy: -83.119
tors. eta vs tors. theta energy: -169.143
Dist. restrs. and SS energy: 11.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -2097.481302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.481302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.692970 (E_RNA)
where:
Base-Base interactions energy: -1502.556
where: short stacking energy: -592.568
Base-Backbone interact. energy: -3.091
local terms energy: -605.045795
where:
bonds (distance) C4'-P energy: -99.668
bonds (distance) P-C4' energy: -136.771
flat angles C4'-P-C4' energy: -124.539
flat angles P-C4'-P energy: -85.568
tors. eta vs tors. theta energy: -158.499
Dist. restrs. and SS energy: 13.212 (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: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1991.873144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.873144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.074506 (E_RNA)
where:
Base-Base interactions energy: -1394.326
where: short stacking energy: -565.536
Base-Backbone interact. energy: -1.477
local terms energy: -623.271102
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -123.576
flat angles C4'-P-C4' energy: -131.902
flat angles P-C4'-P energy: -90.932
tors. eta vs tors. theta energy: -164.037
Dist. restrs. and SS energy: 27.201 (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: 199
Temperature: 0.900000
Total energy: -2831.219148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.219148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.012282 (E_RNA)
where:
Base-Base interactions energy: -1995.279
where: short stacking energy: -827.163
Base-Backbone interact. energy: -1.732
local terms energy: -837.001462
where:
bonds (distance) C4'-P energy: -147.950
bonds (distance) P-C4' energy: -153.567
flat angles C4'-P-C4' energy: -172.322
flat angles P-C4'-P energy: -113.378
tors. eta vs tors. theta energy: -249.783
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2623.711701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.711701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.225773 (E_RNA)
where:
Base-Base interactions energy: -1837.400
where: short stacking energy: -768.290
Base-Backbone interact. energy: -1.835
local terms energy: -791.990390
where:
bonds (distance) C4'-P energy: -140.317
bonds (distance) P-C4' energy: -142.160
flat angles C4'-P-C4' energy: -169.395
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -229.552
Dist. restrs. and SS energy: 7.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2593.086956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.086956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.635164 (E_RNA)
where:
Base-Base interactions energy: -1804.050
where: short stacking energy: -763.030
Base-Backbone interact. energy: -1.580
local terms energy: -793.005063
where:
bonds (distance) C4'-P energy: -137.809
bonds (distance) P-C4' energy: -138.003
flat angles C4'-P-C4' energy: -153.761
flat angles P-C4'-P energy: -127.217
tors. eta vs tors. theta energy: -236.215
Dist. restrs. and SS energy: 5.548 (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: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2523.943906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.943906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.792525 (E_RNA)
where:
Base-Base interactions energy: -1743.452
where: short stacking energy: -761.650
Base-Backbone interact. energy: -1.579
local terms energy: -787.762043
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -145.959
flat angles C4'-P-C4' energy: -162.575
flat angles P-C4'-P energy: -113.925
tors. eta vs tors. theta energy: -235.601
Dist. restrs. and SS energy: 8.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2423.605817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.605817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.045610 (E_RNA)
where:
Base-Base interactions energy: -1683.585
where: short stacking energy: -692.931
Base-Backbone interact. energy: -3.291
local terms energy: -745.170225
where:
bonds (distance) C4'-P energy: -123.762
bonds (distance) P-C4' energy: -142.409
flat angles C4'-P-C4' energy: -163.666
flat angles P-C4'-P energy: -109.924
tors. eta vs tors. theta energy: -205.408
Dist. restrs. and SS energy: 8.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2262.686014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.686014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.196775 (E_RNA)
where:
Base-Base interactions energy: -1615.990
where: short stacking energy: -682.310
Base-Backbone interact. energy: -3.354
local terms energy: -659.853450
where:
bonds (distance) C4'-P energy: -127.798
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -144.347
flat angles P-C4'-P energy: -81.424
tors. eta vs tors. theta energy: -183.448
Dist. restrs. and SS energy: 16.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2215.806712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.806712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.882704 (E_RNA)
where:
Base-Base interactions energy: -1545.902
where: short stacking energy: -646.191
Base-Backbone interact. energy: -3.444
local terms energy: -682.536411
where:
bonds (distance) C4'-P energy: -120.362
bonds (distance) P-C4' energy: -122.959
flat angles C4'-P-C4' energy: -149.573
flat angles P-C4'-P energy: -92.132
tors. eta vs tors. theta energy: -197.510
Dist. restrs. and SS energy: 16.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2154.688538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.688538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.215692 (E_RNA)
where:
Base-Base interactions energy: -1488.445
where: short stacking energy: -610.771
Base-Backbone interact. energy: -2.453
local terms energy: -677.317991
where:
bonds (distance) C4'-P energy: -123.937
bonds (distance) P-C4' energy: -147.299
flat angles C4'-P-C4' energy: -138.023
flat angles P-C4'-P energy: -91.235
tors. eta vs tors. theta energy: -176.825
Dist. restrs. and SS energy: 13.527 (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: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -2081.343076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.343076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.615117 (E_RNA)
where:
Base-Base interactions energy: -1478.445
where: short stacking energy: -600.108
Base-Backbone interact. energy: -0.522
local terms energy: -613.649027
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -121.463
flat angles C4'-P-C4' energy: -130.262
flat angles P-C4'-P energy: -74.573
tors. eta vs tors. theta energy: -162.953
Dist. restrs. and SS energy: 11.272 (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: 199
Temperature: 1.350000
Total energy: -1993.031396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.031396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.961489 (E_RNA)
where:
Base-Base interactions energy: -1392.300
where: short stacking energy: -574.034
Base-Backbone interact. energy: -2.535
local terms energy: -615.126882
where:
bonds (distance) C4'-P energy: -134.111
bonds (distance) P-C4' energy: -109.161
flat angles C4'-P-C4' energy: -136.257
flat angles P-C4'-P energy: -82.585
tors. eta vs tors. theta energy: -153.014
Dist. restrs. and SS energy: 16.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2774.964330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.964330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.823959 (E_RNA)
where:
Base-Base interactions energy: -1986.607
where: short stacking energy: -836.263
Base-Backbone interact. energy: -1.247
local terms energy: -791.970724
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -144.170
flat angles C4'-P-C4' energy: -162.201
flat angles P-C4'-P energy: -112.191
tors. eta vs tors. theta energy: -246.330
Dist. restrs. and SS energy: 4.860 (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: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2639.114853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.114853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.234867 (E_RNA)
where:
Base-Base interactions energy: -1836.666
where: short stacking energy: -786.903
Base-Backbone interact. energy: 0.581
local terms energy: -809.150365
where:
bonds (distance) C4'-P energy: -137.675
bonds (distance) P-C4' energy: -154.129
flat angles C4'-P-C4' energy: -157.327
flat angles P-C4'-P energy: -125.978
tors. eta vs tors. theta energy: -234.042
Dist. restrs. and SS energy: 6.120 (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: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2577.869483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.869483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.834394 (E_RNA)
where:
Base-Base interactions energy: -1785.605
where: short stacking energy: -757.374
Base-Backbone interact. energy: -5.435
local terms energy: -795.794621
where:
bonds (distance) C4'-P energy: -143.602
bonds (distance) P-C4' energy: -142.240
flat angles C4'-P-C4' energy: -158.548
flat angles P-C4'-P energy: -118.037
tors. eta vs tors. theta energy: -233.367
Dist. restrs. and SS energy: 8.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2497.846538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.846538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.192896 (E_RNA)
where:
Base-Base interactions energy: -1717.050
where: short stacking energy: -732.676
Base-Backbone interact. energy: 0.979
local terms energy: -791.122396
where:
bonds (distance) C4'-P energy: -138.663
bonds (distance) P-C4' energy: -150.975
flat angles C4'-P-C4' energy: -171.812
flat angles P-C4'-P energy: -112.473
tors. eta vs tors. theta energy: -217.199
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: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2432.618309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.618309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.791308 (E_RNA)
where:
Base-Base interactions energy: -1706.160
where: short stacking energy: -716.407
Base-Backbone interact. energy: 0.073
local terms energy: -731.704554
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -127.734
flat angles C4'-P-C4' energy: -144.282
flat angles P-C4'-P energy: -119.874
tors. eta vs tors. theta energy: -217.407
Dist. restrs. and SS energy: 5.173 (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: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2333.647786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.647786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.478487 (E_RNA)
where:
Base-Base interactions energy: -1629.098
where: short stacking energy: -681.363
Base-Backbone interact. energy: -2.226
local terms energy: -716.154137
where:
bonds (distance) C4'-P energy: -136.323
bonds (distance) P-C4' energy: -130.721
flat angles C4'-P-C4' energy: -145.761
flat angles P-C4'-P energy: -95.744
tors. eta vs tors. theta energy: -207.605
Dist. restrs. and SS energy: 13.831 (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: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2182.997580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.997580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.966277 (E_RNA)
where:
Base-Base interactions energy: -1555.164
where: short stacking energy: -633.698
Base-Backbone interact. energy: -0.261
local terms energy: -642.540780
where:
bonds (distance) C4'-P energy: -110.874
bonds (distance) P-C4' energy: -116.649
flat angles C4'-P-C4' energy: -151.864
flat angles P-C4'-P energy: -75.980
tors. eta vs tors. theta energy: -187.174
Dist. restrs. and SS energy: 14.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2179.065249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.065249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.170375 (E_RNA)
where:
Base-Base interactions energy: -1562.950
where: short stacking energy: -619.990
Base-Backbone interact. energy: 3.871
local terms energy: -628.091363
where:
bonds (distance) C4'-P energy: -104.979
bonds (distance) P-C4' energy: -121.700
flat angles C4'-P-C4' energy: -136.910
flat angles P-C4'-P energy: -99.288
tors. eta vs tors. theta energy: -165.214
Dist. restrs. and SS energy: 8.105 (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: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -2060.266982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.266982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.492192 (E_RNA)
where:
Base-Base interactions energy: -1465.815
where: short stacking energy: -603.718
Base-Backbone interact. energy: -2.339
local terms energy: -605.338004
where:
bonds (distance) C4'-P energy: -109.077
bonds (distance) P-C4' energy: -122.251
flat angles C4'-P-C4' energy: -140.846
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -167.889
Dist. restrs. and SS energy: 13.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -2014.129694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.129694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.945067 (E_RNA)
where:
Base-Base interactions energy: -1409.153
where: short stacking energy: -584.202
Base-Backbone interact. energy: 0.648
local terms energy: -628.440290
where:
bonds (distance) C4'-P energy: -99.131
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -148.171
flat angles P-C4'-P energy: -89.648
tors. eta vs tors. theta energy: -173.608
Dist. restrs. and SS energy: 22.815 (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: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2783.111960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.111960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.062139 (E_RNA)
where:
Base-Base interactions energy: -1941.523
where: short stacking energy: -824.894
Base-Backbone interact. energy: -3.206
local terms energy: -843.333431
where:
bonds (distance) C4'-P energy: -148.258
bonds (distance) P-C4' energy: -156.601
flat angles C4'-P-C4' energy: -173.268
flat angles P-C4'-P energy: -116.540
tors. eta vs tors. theta energy: -248.666
Dist. restrs. and SS energy: 4.950 (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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2648.452792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.452792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.303677 (E_RNA)
where:
Base-Base interactions energy: -1887.390
where: short stacking energy: -789.882
Base-Backbone interact. energy: -2.784
local terms energy: -765.129212
where:
bonds (distance) C4'-P energy: -109.858
bonds (distance) P-C4' energy: -140.354
flat angles C4'-P-C4' energy: -170.904
flat angles P-C4'-P energy: -108.306
tors. eta vs tors. theta energy: -235.707
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: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2598.587937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.587937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.376674 (E_RNA)
where:
Base-Base interactions energy: -1826.829
where: short stacking energy: -763.174
Base-Backbone interact. energy: 0.615
local terms energy: -778.163347
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -144.065
flat angles C4'-P-C4' energy: -177.248
flat angles P-C4'-P energy: -101.464
tors. eta vs tors. theta energy: -224.322
Dist. restrs. and SS energy: 5.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2450.605776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.605776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.672597 (E_RNA)
where:
Base-Base interactions energy: -1731.519
where: short stacking energy: -737.175
Base-Backbone interact. energy: -0.628
local terms energy: -723.525176
where:
bonds (distance) C4'-P energy: -116.319
bonds (distance) P-C4' energy: -134.425
flat angles C4'-P-C4' energy: -157.357
flat angles P-C4'-P energy: -91.750
tors. eta vs tors. theta energy: -223.673
Dist. restrs. and SS energy: 5.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2487.920871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.920871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.688418 (E_RNA)
where:
Base-Base interactions energy: -1721.119
where: short stacking energy: -726.406
Base-Backbone interact. energy: -3.099
local terms energy: -770.471098
where:
bonds (distance) C4'-P energy: -141.144
bonds (distance) P-C4' energy: -139.466
flat angles C4'-P-C4' energy: -160.245
flat angles P-C4'-P energy: -111.188
tors. eta vs tors. theta energy: -218.429
Dist. restrs. and SS energy: 6.768 (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: 201
Temperature: 1.150000
Total energy: -2280.445181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.445181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.745767 (E_RNA)
where:
Base-Base interactions energy: -1585.249
where: short stacking energy: -653.827
Base-Backbone interact. energy: -2.905
local terms energy: -707.591985
where:
bonds (distance) C4'-P energy: -135.585
bonds (distance) P-C4' energy: -142.911
flat angles C4'-P-C4' energy: -144.040
flat angles P-C4'-P energy: -94.629
tors. eta vs tors. theta energy: -190.427
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: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2240.394697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.394697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.663953 (E_RNA)
where:
Base-Base interactions energy: -1587.002
where: short stacking energy: -682.569
Base-Backbone interact. energy: -0.530
local terms energy: -663.132389
where:
bonds (distance) C4'-P energy: -113.356
bonds (distance) P-C4' energy: -135.692
flat angles C4'-P-C4' energy: -138.443
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: -196.087
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: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2113.097311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.097311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.450467 (E_RNA)
where:
Base-Base interactions energy: -1507.879
where: short stacking energy: -610.693
Base-Backbone interact. energy: -1.499
local terms energy: -617.072681
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -118.557
flat angles C4'-P-C4' energy: -134.485
flat angles P-C4'-P energy: -78.081
tors. eta vs tors. theta energy: -173.205
Dist. restrs. and SS energy: 13.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -2122.654956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.654956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.918505 (E_RNA)
where:
Base-Base interactions energy: -1484.073
where: short stacking energy: -627.412
Base-Backbone interact. energy: 1.935
local terms energy: -652.780521
where:
bonds (distance) C4'-P energy: -104.691
bonds (distance) P-C4' energy: -131.101
flat angles C4'-P-C4' energy: -141.480
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -189.386
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1981.349109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.349109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.126891 (E_RNA)
where:
Base-Base interactions energy: -1411.612
where: short stacking energy: -579.667
Base-Backbone interact. energy: 1.998
local terms energy: -592.512989
where:
bonds (distance) C4'-P energy: -128.150
bonds (distance) P-C4' energy: -92.905
flat angles C4'-P-C4' energy: -135.804
flat angles P-C4'-P energy: -81.594
tors. eta vs tors. theta energy: -154.060
Dist. restrs. and SS energy: 20.778 (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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2813.685959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.685959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.765874 (E_RNA)
where:
Base-Base interactions energy: -1971.784
where: short stacking energy: -812.800
Base-Backbone interact. energy: -0.044
local terms energy: -846.937295
where:
bonds (distance) C4'-P energy: -151.488
bonds (distance) P-C4' energy: -158.082
flat angles C4'-P-C4' energy: -168.970
flat angles P-C4'-P energy: -120.700
tors. eta vs tors. theta energy: -247.697
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: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2682.477773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.477773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.354370 (E_RNA)
where:
Base-Base interactions energy: -1889.329
where: short stacking energy: -796.714
Base-Backbone interact. energy: -3.625
local terms energy: -795.400651
where:
bonds (distance) C4'-P energy: -139.163
bonds (distance) P-C4' energy: -146.140
flat angles C4'-P-C4' energy: -167.879
flat angles P-C4'-P energy: -106.108
tors. eta vs tors. theta energy: -236.111
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: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2581.062007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.999203 (E_RNA)
where:
Base-Base interactions energy: -1790.310
where: short stacking energy: -769.875
Base-Backbone interact. energy: -3.384
local terms energy: -792.304997
where:
bonds (distance) C4'-P energy: -147.198
bonds (distance) P-C4' energy: -148.360
flat angles C4'-P-C4' energy: -166.070
flat angles P-C4'-P energy: -107.637
tors. eta vs tors. theta energy: -223.040
Dist. restrs. and SS energy: 4.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2447.645507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.645507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.152997 (E_RNA)
where:
Base-Base interactions energy: -1743.881
where: short stacking energy: -741.380
Base-Backbone interact. energy: -1.238
local terms energy: -709.034240
where:
bonds (distance) C4'-P energy: -102.707
bonds (distance) P-C4' energy: -142.718
flat angles C4'-P-C4' energy: -149.475
flat angles P-C4'-P energy: -101.903
tors. eta vs tors. theta energy: -212.231
Dist. restrs. and SS energy: 6.507 (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: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2476.412116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.412116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.449170 (E_RNA)
where:
Base-Base interactions energy: -1760.829
where: short stacking energy: -735.290
Base-Backbone interact. energy: 0.883
local terms energy: -723.503455
where:
bonds (distance) C4'-P energy: -122.305
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -159.902
flat angles P-C4'-P energy: -94.643
tors. eta vs tors. theta energy: -217.100
Dist. restrs. and SS energy: 7.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2338.123497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.123497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.875531 (E_RNA)
where:
Base-Base interactions energy: -1680.172
where: short stacking energy: -729.441
Base-Backbone interact. energy: -0.940
local terms energy: -674.764441
where:
bonds (distance) C4'-P energy: -106.081
bonds (distance) P-C4' energy: -114.776
flat angles C4'-P-C4' energy: -142.728
flat angles P-C4'-P energy: -96.122
tors. eta vs tors. theta energy: -215.058
Dist. restrs. and SS energy: 17.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2208.615348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.615348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.853581 (E_RNA)
where:
Base-Base interactions energy: -1553.489
where: short stacking energy: -645.200
Base-Backbone interact. energy: -2.101
local terms energy: -663.263526
where:
bonds (distance) C4'-P energy: -131.542
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -142.074
flat angles P-C4'-P energy: -90.143
tors. eta vs tors. theta energy: -193.155
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: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2152.868661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.868661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.910772 (E_RNA)
where:
Base-Base interactions energy: -1511.645
where: short stacking energy: -630.904
Base-Backbone interact. energy: -2.507
local terms energy: -655.758638
where:
bonds (distance) C4'-P energy: -109.234
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -146.724
flat angles P-C4'-P energy: -97.728
tors. eta vs tors. theta energy: -179.156
Dist. restrs. and SS energy: 17.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -2084.588751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.588751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.450494 (E_RNA)
where:
Base-Base interactions energy: -1469.885
where: short stacking energy: -608.865
Base-Backbone interact. energy: 1.420
local terms energy: -625.986201
where:
bonds (distance) C4'-P energy: -118.651
bonds (distance) P-C4' energy: -118.549
flat angles C4'-P-C4' energy: -140.983
flat angles P-C4'-P energy: -84.485
tors. eta vs tors. theta energy: -163.318
Dist. restrs. and SS energy: 9.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1975.576037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.576037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.445035 (E_RNA)
where:
Base-Base interactions energy: -1428.849
where: short stacking energy: -576.619
Base-Backbone interact. energy: -0.288
local terms energy: -565.308780
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -99.038
flat angles C4'-P-C4' energy: -127.940
flat angles P-C4'-P energy: -83.699
tors. eta vs tors. theta energy: -160.572
Dist. restrs. and SS energy: 18.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2793.955023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.955023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.802428 (E_RNA)
where:
Base-Base interactions energy: -1974.766
where: short stacking energy: -812.418
Base-Backbone interact. energy: -2.982
local terms energy: -820.054242
where:
bonds (distance) C4'-P energy: -136.072
bonds (distance) P-C4' energy: -137.663
flat angles C4'-P-C4' energy: -177.804
flat angles P-C4'-P energy: -125.609
tors. eta vs tors. theta energy: -242.907
Dist. restrs. and SS energy: 3.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2683.711943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.711943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.724307 (E_RNA)
where:
Base-Base interactions energy: -1881.088
where: short stacking energy: -780.255
Base-Backbone interact. energy: -4.751
local terms energy: -807.884929
where:
bonds (distance) C4'-P energy: -154.425
bonds (distance) P-C4' energy: -141.301
flat angles C4'-P-C4' energy: -164.154
flat angles P-C4'-P energy: -120.635
tors. eta vs tors. theta energy: -227.370
Dist. restrs. and SS energy: 10.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2594.433745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.433745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.473061 (E_RNA)
where:
Base-Base interactions energy: -1798.561
where: short stacking energy: -775.599
Base-Backbone interact. energy: 0.972
local terms energy: -805.884241
where:
bonds (distance) C4'-P energy: -131.454
bonds (distance) P-C4' energy: -148.668
flat angles C4'-P-C4' energy: -173.399
flat angles P-C4'-P energy: -115.844
tors. eta vs tors. theta energy: -236.520
Dist. restrs. and SS energy: 9.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2478.978483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.563418 (E_RNA)
where:
Base-Base interactions energy: -1748.127
where: short stacking energy: -750.307
Base-Backbone interact. energy: 3.202
local terms energy: -740.638176
where:
bonds (distance) C4'-P energy: -150.923
bonds (distance) P-C4' energy: -140.699
flat angles C4'-P-C4' energy: -148.232
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -208.477
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: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2417.295715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.295715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.391802 (E_RNA)
where:
Base-Base interactions energy: -1701.502
where: short stacking energy: -704.831
Base-Backbone interact. energy: 0.561
local terms energy: -723.451323
where:
bonds (distance) C4'-P energy: -115.206
bonds (distance) P-C4' energy: -123.669
flat angles C4'-P-C4' energy: -166.377
flat angles P-C4'-P energy: -104.557
tors. eta vs tors. theta energy: -213.642
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: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2307.546015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.546015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.012649 (E_RNA)
where:
Base-Base interactions energy: -1618.247
where: short stacking energy: -676.915
Base-Backbone interact. energy: -2.798
local terms energy: -701.967306
where:
bonds (distance) C4'-P energy: -126.856
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -103.347
tors. eta vs tors. theta energy: -199.796
Dist. restrs. and SS energy: 15.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2158.997787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.997787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.387574 (E_RNA)
where:
Base-Base interactions energy: -1558.814
where: short stacking energy: -660.316
Base-Backbone interact. energy: -1.969
local terms energy: -608.604137
where:
bonds (distance) C4'-P energy: -87.987
bonds (distance) P-C4' energy: -137.159
flat angles C4'-P-C4' energy: -129.208
flat angles P-C4'-P energy: -84.817
tors. eta vs tors. theta energy: -169.434
Dist. restrs. and SS energy: 10.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2142.901460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.901460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.772713 (E_RNA)
where:
Base-Base interactions energy: -1517.714
where: short stacking energy: -634.099
Base-Backbone interact. energy: -2.561
local terms energy: -635.497773
where:
bonds (distance) C4'-P energy: -105.622
bonds (distance) P-C4' energy: -124.256
flat angles C4'-P-C4' energy: -134.981
flat angles P-C4'-P energy: -85.671
tors. eta vs tors. theta energy: -184.967
Dist. restrs. and SS energy: 12.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -2081.930989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.930989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.227597 (E_RNA)
where:
Base-Base interactions energy: -1476.838
where: short stacking energy: -595.032
Base-Backbone interact. energy: 0.879
local terms energy: -617.268164
where:
bonds (distance) C4'-P energy: -126.400
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -143.748
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -171.957
Dist. restrs. and SS energy: 11.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1998.980883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.980883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.698472 (E_RNA)
where:
Base-Base interactions energy: -1409.378
where: short stacking energy: -573.152
Base-Backbone interact. energy: 1.219
local terms energy: -617.539397
where:
bonds (distance) C4'-P energy: -105.940
bonds (distance) P-C4' energy: -117.579
flat angles C4'-P-C4' energy: -139.131
flat angles P-C4'-P energy: -81.020
tors. eta vs tors. theta energy: -173.870
Dist. restrs. and SS energy: 26.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2776.935150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.935150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.962614 (E_RNA)
where:
Base-Base interactions energy: -1934.911
where: short stacking energy: -821.829
Base-Backbone interact. energy: -6.841
local terms energy: -839.210442
where:
bonds (distance) C4'-P energy: -137.818
bonds (distance) P-C4' energy: -163.450
flat angles C4'-P-C4' energy: -172.989
flat angles P-C4'-P energy: -128.037
tors. eta vs tors. theta energy: -236.916
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: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2659.800443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.800443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.328892 (E_RNA)
where:
Base-Base interactions energy: -1872.230
where: short stacking energy: -769.117
Base-Backbone interact. energy: -3.690
local terms energy: -797.408760
where:
bonds (distance) C4'-P energy: -140.247
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -173.737
flat angles P-C4'-P energy: -111.146
tors. eta vs tors. theta energy: -232.136
Dist. restrs. and SS energy: 13.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2603.259739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.259739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.107870 (E_RNA)
where:
Base-Base interactions energy: -1826.191
where: short stacking energy: -762.107
Base-Backbone interact. energy: -1.982
local terms energy: -781.935266
where:
bonds (distance) C4'-P energy: -137.217
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -172.661
flat angles P-C4'-P energy: -122.157
tors. eta vs tors. theta energy: -229.565
Dist. restrs. and SS energy: 6.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2459.154407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.154407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.973273 (E_RNA)
where:
Base-Base interactions energy: -1734.392
where: short stacking energy: -736.606
Base-Backbone interact. energy: -2.498
local terms energy: -730.084020
where:
bonds (distance) C4'-P energy: -103.301
bonds (distance) P-C4' energy: -145.507
flat angles C4'-P-C4' energy: -166.557
flat angles P-C4'-P energy: -103.064
tors. eta vs tors. theta energy: -211.655
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: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2392.404304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.404304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.378331 (E_RNA)
where:
Base-Base interactions energy: -1671.945
where: short stacking energy: -706.954
Base-Backbone interact. energy: 2.914
local terms energy: -732.347479
where:
bonds (distance) C4'-P energy: -115.749
bonds (distance) P-C4' energy: -145.304
flat angles C4'-P-C4' energy: -149.967
flat angles P-C4'-P energy: -105.410
tors. eta vs tors. theta energy: -215.917
Dist. restrs. and SS energy: 8.974 (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: 204
Temperature: 1.150000
Total energy: -2316.895923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.895923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.336512 (E_RNA)
where:
Base-Base interactions energy: -1626.630
where: short stacking energy: -704.089
Base-Backbone interact. energy: 0.945
local terms energy: -705.651704
where:
bonds (distance) C4'-P energy: -126.039
bonds (distance) P-C4' energy: -115.681
flat angles C4'-P-C4' energy: -164.108
flat angles P-C4'-P energy: -99.982
tors. eta vs tors. theta energy: -199.842
Dist. restrs. and SS energy: 14.441 (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: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2234.810873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.810873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.262325 (E_RNA)
where:
Base-Base interactions energy: -1608.852
where: short stacking energy: -660.298
Base-Backbone interact. energy: 2.051
local terms energy: -639.461928
where:
bonds (distance) C4'-P energy: -108.084
bonds (distance) P-C4' energy: -121.544
flat angles C4'-P-C4' energy: -132.315
flat angles P-C4'-P energy: -87.157
tors. eta vs tors. theta energy: -190.362
Dist. restrs. and SS energy: 11.451 (S_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: 204
Temperature: 1.250000
Total energy: -2097.487561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.487561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.344888 (E_RNA)
where:
Base-Base interactions energy: -1490.340
where: short stacking energy: -607.730
Base-Backbone interact. energy: 3.970
local terms energy: -620.974024
where:
bonds (distance) C4'-P energy: -130.958
bonds (distance) P-C4' energy: -104.997
flat angles C4'-P-C4' energy: -127.908
flat angles P-C4'-P energy: -95.633
tors. eta vs tors. theta energy: -161.478
Dist. restrs. and SS energy: 9.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -2062.867522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.867522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.112624 (E_RNA)
where:
Base-Base interactions energy: -1451.481
where: short stacking energy: -578.887
Base-Backbone interact. energy: 0.289
local terms energy: -622.920679
where:
bonds (distance) C4'-P energy: -117.389
bonds (distance) P-C4' energy: -108.991
flat angles C4'-P-C4' energy: -138.363
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -161.771
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: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1999.079511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.079511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.660629 (E_RNA)
where:
Base-Base interactions energy: -1413.310
where: short stacking energy: -576.929
Base-Backbone interact. energy: -2.587
local terms energy: -598.763707
where:
bonds (distance) C4'-P energy: -112.817
bonds (distance) P-C4' energy: -96.498
flat angles C4'-P-C4' energy: -135.729
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -173.892
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: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2797.840623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.840623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.345133 (E_RNA)
where:
Base-Base interactions energy: -1952.806
where: short stacking energy: -832.876
Base-Backbone interact. energy: -2.802
local terms energy: -844.736759
where:
bonds (distance) C4'-P energy: -151.154
bonds (distance) P-C4' energy: -146.040
flat angles C4'-P-C4' energy: -169.706
flat angles P-C4'-P energy: -122.229
tors. eta vs tors. theta energy: -255.607
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2711.533889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.533889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.499545 (E_RNA)
where:
Base-Base interactions energy: -1905.585
where: short stacking energy: -800.583
Base-Backbone interact. energy: -3.370
local terms energy: -809.545023
where:
bonds (distance) C4'-P energy: -155.080
bonds (distance) P-C4' energy: -134.840
flat angles C4'-P-C4' energy: -163.261
flat angles P-C4'-P energy: -113.741
tors. eta vs tors. theta energy: -242.623
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: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2566.520439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.520439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.771833 (E_RNA)
where:
Base-Base interactions energy: -1789.364
where: short stacking energy: -746.787
Base-Backbone interact. energy: -2.878
local terms energy: -789.529491
where:
bonds (distance) C4'-P energy: -133.501
bonds (distance) P-C4' energy: -142.155
flat angles C4'-P-C4' energy: -160.138
flat angles P-C4'-P energy: -119.930
tors. eta vs tors. theta energy: -233.805
Dist. restrs. and SS energy: 15.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2496.113111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.113111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.666287 (E_RNA)
where:
Base-Base interactions energy: -1741.199
where: short stacking energy: -736.813
Base-Backbone interact. energy: 1.225
local terms energy: -762.691567
where:
bonds (distance) C4'-P energy: -131.016
bonds (distance) P-C4' energy: -131.881
flat angles C4'-P-C4' energy: -162.693
flat angles P-C4'-P energy: -117.285
tors. eta vs tors. theta energy: -219.816
Dist. restrs. and SS energy: 6.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2412.006323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.006323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.037191 (E_RNA)
where:
Base-Base interactions energy: -1691.226
where: short stacking energy: -698.665
Base-Backbone interact. energy: -2.335
local terms energy: -723.475738
where:
bonds (distance) C4'-P energy: -123.881
bonds (distance) P-C4' energy: -146.406
flat angles C4'-P-C4' energy: -148.883
flat angles P-C4'-P energy: -86.408
tors. eta vs tors. theta energy: -217.898
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2308.562982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.562982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.547608 (E_RNA)
where:
Base-Base interactions energy: -1642.495
where: short stacking energy: -706.848
Base-Backbone interact. energy: -4.054
local terms energy: -675.997847
where:
bonds (distance) C4'-P energy: -110.083
bonds (distance) P-C4' energy: -121.369
flat angles C4'-P-C4' energy: -144.697
flat angles P-C4'-P energy: -89.976
tors. eta vs tors. theta energy: -209.873
Dist. restrs. and SS energy: 13.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2230.783766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.783766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.222560 (E_RNA)
where:
Base-Base interactions energy: -1592.760
where: short stacking energy: -659.078
Base-Backbone interact. energy: -1.947
local terms energy: -655.516231
where:
bonds (distance) C4'-P energy: -114.945
bonds (distance) P-C4' energy: -119.934
flat angles C4'-P-C4' energy: -134.477
flat angles P-C4'-P energy: -88.949
tors. eta vs tors. theta energy: -197.212
Dist. restrs. and SS energy: 19.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2107.928999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.928999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.256376 (E_RNA)
where:
Base-Base interactions energy: -1484.308
where: short stacking energy: -635.877
Base-Backbone interact. energy: 6.083
local terms energy: -643.031340
where:
bonds (distance) C4'-P energy: -107.934
bonds (distance) P-C4' energy: -132.402
flat angles C4'-P-C4' energy: -135.226
flat angles P-C4'-P energy: -85.988
tors. eta vs tors. theta energy: -181.482
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: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2020.809434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.809434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.128684 (E_RNA)
where:
Base-Base interactions energy: -1426.516
where: short stacking energy: -590.964
Base-Backbone interact. energy: -0.924
local terms energy: -609.687786
where:
bonds (distance) C4'-P energy: -128.030
bonds (distance) P-C4' energy: -137.453
flat angles C4'-P-C4' energy: -111.858
flat angles P-C4'-P energy: -75.152
tors. eta vs tors. theta energy: -157.195
Dist. restrs. and SS energy: 16.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1966.872158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.872158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.974087 (E_RNA)
where:
Base-Base interactions energy: -1390.187
where: short stacking energy: -571.010
Base-Backbone interact. energy: 1.779
local terms energy: -595.566252
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -116.036
flat angles C4'-P-C4' energy: -134.411
flat angles P-C4'-P energy: -81.019
tors. eta vs tors. theta energy: -159.573
Dist. restrs. and SS energy: 17.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2787.895600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.895600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.862472 (E_RNA)
where:
Base-Base interactions energy: -1946.460
where: short stacking energy: -823.623
Base-Backbone interact. energy: -5.081
local terms energy: -840.321591
where:
bonds (distance) C4'-P energy: -139.108
bonds (distance) P-C4' energy: -155.762
flat angles C4'-P-C4' energy: -173.892
flat angles P-C4'-P energy: -122.735
tors. eta vs tors. theta energy: -248.825
Dist. restrs. and SS energy: 3.967 (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: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2699.755270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.755270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.274564 (E_RNA)
where:
Base-Base interactions energy: -1903.541
where: short stacking energy: -808.287
Base-Backbone interact. energy: -1.917
local terms energy: -800.816421
where:
bonds (distance) C4'-P energy: -127.086
bonds (distance) P-C4' energy: -135.964
flat angles C4'-P-C4' energy: -172.919
flat angles P-C4'-P energy: -118.879
tors. eta vs tors. theta energy: -245.967
Dist. restrs. and SS energy: 6.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2547.419202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.419202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.356637 (E_RNA)
where:
Base-Base interactions energy: -1768.851
where: short stacking energy: -758.515
Base-Backbone interact. energy: -1.242
local terms energy: -790.263894
where:
bonds (distance) C4'-P energy: -147.814
bonds (distance) P-C4' energy: -143.541
flat angles C4'-P-C4' energy: -165.397
flat angles P-C4'-P energy: -108.005
tors. eta vs tors. theta energy: -225.506
Dist. restrs. and SS energy: 12.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2527.696640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.696640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.771050 (E_RNA)
where:
Base-Base interactions energy: -1765.549
where: short stacking energy: -762.203
Base-Backbone interact. energy: -2.746
local terms energy: -768.476754
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -138.092
flat angles C4'-P-C4' energy: -163.855
flat angles P-C4'-P energy: -111.879
tors. eta vs tors. theta energy: -223.035
Dist. restrs. and SS energy: 9.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2402.488839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.488839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.527435 (E_RNA)
where:
Base-Base interactions energy: -1666.710
where: short stacking energy: -697.197
Base-Backbone interact. energy: 5.525
local terms energy: -746.342384
where:
bonds (distance) C4'-P energy: -136.943
bonds (distance) P-C4' energy: -150.952
flat angles C4'-P-C4' energy: -149.331
flat angles P-C4'-P energy: -101.322
tors. eta vs tors. theta energy: -207.794
Dist. restrs. and SS energy: 5.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2328.610614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.610614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.372532 (E_RNA)
where:
Base-Base interactions energy: -1622.894
where: short stacking energy: -676.173
Base-Backbone interact. energy: -1.462
local terms energy: -715.016442
where:
bonds (distance) C4'-P energy: -129.477
bonds (distance) P-C4' energy: -124.005
flat angles C4'-P-C4' energy: -155.400
flat angles P-C4'-P energy: -96.790
tors. eta vs tors. theta energy: -209.344
Dist. restrs. and SS energy: 10.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2208.848250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.848250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.677540 (E_RNA)
where:
Base-Base interactions energy: -1524.545
where: short stacking energy: -643.449
Base-Backbone interact. energy: -2.786
local terms energy: -697.346175
where:
bonds (distance) C4'-P energy: -127.167
bonds (distance) P-C4' energy: -140.276
flat angles C4'-P-C4' energy: -140.289
flat angles P-C4'-P energy: -100.197
tors. eta vs tors. theta energy: -189.417
Dist. restrs. and SS energy: 15.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2147.078549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.078549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.259058 (E_RNA)
where:
Base-Base interactions energy: -1526.774
where: short stacking energy: -625.006
Base-Backbone interact. energy: 0.890
local terms energy: -632.375365
where:
bonds (distance) C4'-P energy: -110.637
bonds (distance) P-C4' energy: -117.456
flat angles C4'-P-C4' energy: -142.280
flat angles P-C4'-P energy: -94.276
tors. eta vs tors. theta energy: -167.726
Dist. restrs. and SS energy: 11.181 (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: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -2077.052637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.052637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.389440 (E_RNA)
where:
Base-Base interactions energy: -1444.148
where: short stacking energy: -595.706
Base-Backbone interact. energy: -5.444
local terms energy: -641.798085
where:
bonds (distance) C4'-P energy: -125.510
bonds (distance) P-C4' energy: -123.305
flat angles C4'-P-C4' energy: -140.772
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: -168.824
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: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1920.965433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.965433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.441634 (E_RNA)
where:
Base-Base interactions energy: -1393.556
where: short stacking energy: -557.814
Base-Backbone interact. energy: -4.723
local terms energy: -550.163384
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -122.677
flat angles P-C4'-P energy: -71.185
tors. eta vs tors. theta energy: -150.402
Dist. restrs. and SS energy: 27.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2780.345603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.345603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.997328 (E_RNA)
where:
Base-Base interactions energy: -1960.471
where: short stacking energy: -822.378
Base-Backbone interact. energy: -3.164
local terms energy: -819.362217
where:
bonds (distance) C4'-P energy: -142.869
bonds (distance) P-C4' energy: -140.210
flat angles C4'-P-C4' energy: -165.662
flat angles P-C4'-P energy: -115.535
tors. eta vs tors. theta energy: -255.086
Dist. restrs. and SS energy: 2.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2680.503576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.503576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.952940 (E_RNA)
where:
Base-Base interactions energy: -1858.109
where: short stacking energy: -791.356
Base-Backbone interact. energy: -1.890
local terms energy: -831.954361
where:
bonds (distance) C4'-P energy: -144.404
bonds (distance) P-C4' energy: -157.370
flat angles C4'-P-C4' energy: -177.560
flat angles P-C4'-P energy: -107.246
tors. eta vs tors. theta energy: -245.374
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: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2560.496975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.496975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.582319 (E_RNA)
where:
Base-Base interactions energy: -1795.936
where: short stacking energy: -767.714
Base-Backbone interact. energy: -0.908
local terms energy: -772.738093
where:
bonds (distance) C4'-P energy: -134.747
bonds (distance) P-C4' energy: -142.122
flat angles C4'-P-C4' energy: -158.218
flat angles P-C4'-P energy: -111.122
tors. eta vs tors. theta energy: -226.530
Dist. restrs. and SS energy: 9.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2530.645914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.645914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.875989 (E_RNA)
where:
Base-Base interactions energy: -1762.429
where: short stacking energy: -735.433
Base-Backbone interact. energy: -1.421
local terms energy: -778.026127
where:
bonds (distance) C4'-P energy: -137.512
bonds (distance) P-C4' energy: -143.930
flat angles C4'-P-C4' energy: -158.869
flat angles P-C4'-P energy: -109.398
tors. eta vs tors. theta energy: -228.317
Dist. restrs. and SS energy: 11.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2393.143833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.143833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.475793 (E_RNA)
where:
Base-Base interactions energy: -1667.027
where: short stacking energy: -690.812
Base-Backbone interact. energy: -0.026
local terms energy: -730.422854
where:
bonds (distance) C4'-P energy: -144.391
bonds (distance) P-C4' energy: -123.014
flat angles C4'-P-C4' energy: -153.247
flat angles P-C4'-P energy: -91.475
tors. eta vs tors. theta energy: -218.296
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2301.865864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.865864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.732364 (E_RNA)
where:
Base-Base interactions energy: -1613.957
where: short stacking energy: -685.958
Base-Backbone interact. energy: 1.156
local terms energy: -698.931691
where:
bonds (distance) C4'-P energy: -126.822
bonds (distance) P-C4' energy: -122.397
flat angles C4'-P-C4' energy: -157.683
flat angles P-C4'-P energy: -93.585
tors. eta vs tors. theta energy: -198.444
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: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2200.678839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.678839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.933158 (E_RNA)
where:
Base-Base interactions energy: -1533.609
where: short stacking energy: -659.147
Base-Backbone interact. energy: 0.886
local terms energy: -687.209923
where:
bonds (distance) C4'-P energy: -122.584
bonds (distance) P-C4' energy: -122.398
flat angles C4'-P-C4' energy: -151.502
flat angles P-C4'-P energy: -95.960
tors. eta vs tors. theta energy: -194.766
Dist. restrs. and SS energy: 19.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2087.160663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.160663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.892607 (E_RNA)
where:
Base-Base interactions energy: -1497.995
where: short stacking energy: -616.306
Base-Backbone interact. energy: -2.445
local terms energy: -603.452340
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -118.241
flat angles C4'-P-C4' energy: -124.983
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -177.617
Dist. restrs. and SS energy: 16.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -2005.217118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.530347 (E_RNA)
where:
Base-Base interactions energy: -1427.391
where: short stacking energy: -587.405
Base-Backbone interact. energy: -0.015
local terms energy: -595.124609
where:
bonds (distance) C4'-P energy: -115.911
bonds (distance) P-C4' energy: -112.212
flat angles C4'-P-C4' energy: -125.417
flat angles P-C4'-P energy: -80.370
tors. eta vs tors. theta energy: -161.215
Dist. restrs. and SS energy: 17.313 (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: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1913.833028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.833028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.970999 (E_RNA)
where:
Base-Base interactions energy: -1394.289
where: short stacking energy: -559.334
Base-Backbone interact. energy: -3.165
local terms energy: -542.516150
where:
bonds (distance) C4'-P energy: -101.948
bonds (distance) P-C4' energy: -124.264
flat angles C4'-P-C4' energy: -119.734
flat angles P-C4'-P energy: -47.570
tors. eta vs tors. theta energy: -149.001
Dist. restrs. and SS energy: 26.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2806.089528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.089528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.277258 (E_RNA)
where:
Base-Base interactions energy: -1977.772
where: short stacking energy: -846.986
Base-Backbone interact. energy: -2.185
local terms energy: -829.320196
where:
bonds (distance) C4'-P energy: -138.725
bonds (distance) P-C4' energy: -141.053
flat angles C4'-P-C4' energy: -170.715
flat angles P-C4'-P energy: -122.585
tors. eta vs tors. theta energy: -256.242
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2645.188656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.188656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.878989 (E_RNA)
where:
Base-Base interactions energy: -1863.631
where: short stacking energy: -760.943
Base-Backbone interact. energy: -1.586
local terms energy: -786.661538
where:
bonds (distance) C4'-P energy: -145.466
bonds (distance) P-C4' energy: -135.466
flat angles C4'-P-C4' energy: -164.705
flat angles P-C4'-P energy: -106.108
tors. eta vs tors. theta energy: -234.916
Dist. restrs. and SS energy: 6.690 (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: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2541.232013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.232013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.047850 (E_RNA)
where:
Base-Base interactions energy: -1797.353
where: short stacking energy: -743.814
Base-Backbone interact. energy: 0.343
local terms energy: -752.038225
where:
bonds (distance) C4'-P energy: -146.565
bonds (distance) P-C4' energy: -144.768
flat angles C4'-P-C4' energy: -146.540
flat angles P-C4'-P energy: -105.497
tors. eta vs tors. theta energy: -208.668
Dist. restrs. and SS energy: 7.816 (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: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2495.190676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.190676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.916771 (E_RNA)
where:
Base-Base interactions energy: -1786.932
where: short stacking energy: -737.123
Base-Backbone interact. energy: 0.421
local terms energy: -716.405695
where:
bonds (distance) C4'-P energy: -128.413
bonds (distance) P-C4' energy: -130.649
flat angles C4'-P-C4' energy: -148.624
flat angles P-C4'-P energy: -93.448
tors. eta vs tors. theta energy: -215.272
Dist. restrs. and SS energy: 7.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2408.589463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.589463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.636419 (E_RNA)
where:
Base-Base interactions energy: -1686.554
where: short stacking energy: -711.723
Base-Backbone interact. energy: -2.723
local terms energy: -726.358898
where:
bonds (distance) C4'-P energy: -143.392
bonds (distance) P-C4' energy: -123.456
flat angles C4'-P-C4' energy: -155.757
flat angles P-C4'-P energy: -92.505
tors. eta vs tors. theta energy: -211.248
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: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2312.949208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.949208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.635372 (E_RNA)
where:
Base-Base interactions energy: -1631.628
where: short stacking energy: -688.685
Base-Backbone interact. energy: 1.232
local terms energy: -695.239380
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -144.072
flat angles C4'-P-C4' energy: -136.057
flat angles P-C4'-P energy: -94.512
tors. eta vs tors. theta energy: -202.287
Dist. restrs. and SS energy: 12.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2227.461699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.461699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.588265 (E_RNA)
where:
Base-Base interactions energy: -1568.100
where: short stacking energy: -666.020
Base-Backbone interact. energy: 2.790
local terms energy: -681.278273
where:
bonds (distance) C4'-P energy: -133.328
bonds (distance) P-C4' energy: -135.278
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -85.433
tors. eta vs tors. theta energy: -185.482
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2104.068227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.068227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.271368 (E_RNA)
where:
Base-Base interactions energy: -1488.749
where: short stacking energy: -621.350
Base-Backbone interact. energy: -0.473
local terms energy: -634.049311
where:
bonds (distance) C4'-P energy: -119.991
bonds (distance) P-C4' energy: -135.948
flat angles C4'-P-C4' energy: -138.397
flat angles P-C4'-P energy: -65.487
tors. eta vs tors. theta energy: -174.227
Dist. restrs. and SS energy: 19.203 (S_DIST_RNA)
chem. 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: -2034.361741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.361741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.169543 (E_RNA)
where:
Base-Base interactions energy: -1455.016
where: short stacking energy: -590.572
Base-Backbone interact. energy: -1.762
local terms energy: -598.392155
where:
bonds (distance) C4'-P energy: -104.909
bonds (distance) P-C4' energy: -107.933
flat angles C4'-P-C4' energy: -142.533
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -168.584
Dist. restrs. and SS energy: 20.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1949.789974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.789974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.766821 (E_RNA)
where:
Base-Base interactions energy: -1413.569
where: short stacking energy: -570.456
Base-Backbone interact. energy: -1.826
local terms energy: -557.371774
where:
bonds (distance) C4'-P energy: -90.788
bonds (distance) P-C4' energy: -115.686
flat angles C4'-P-C4' energy: -113.325
flat angles P-C4'-P energy: -82.049
tors. eta vs tors. theta energy: -155.524
Dist. restrs. and SS energy: 22.977 (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: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2784.799088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.799088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.350132 (E_RNA)
where:
Base-Base interactions energy: -1945.570
where: short stacking energy: -816.647
Base-Backbone interact. energy: -4.460
local terms energy: -837.319776
where:
bonds (distance) C4'-P energy: -142.162
bonds (distance) P-C4' energy: -150.210
flat angles C4'-P-C4' energy: -169.261
flat angles P-C4'-P energy: -118.178
tors. eta vs tors. theta energy: -257.508
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2656.868092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.868092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.761581 (E_RNA)
where:
Base-Base interactions energy: -1884.493
where: short stacking energy: -786.644
Base-Backbone interact. energy: -0.705
local terms energy: -779.563944
where:
bonds (distance) C4'-P energy: -140.132
bonds (distance) P-C4' energy: -123.430
flat angles C4'-P-C4' energy: -165.513
flat angles P-C4'-P energy: -113.384
tors. eta vs tors. theta energy: -237.105
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: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2592.201665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.248296 (E_RNA)
where:
Base-Base interactions energy: -1817.492
where: short stacking energy: -748.518
Base-Backbone interact. energy: 2.284
local terms energy: -784.040272
where:
bonds (distance) C4'-P energy: -133.750
bonds (distance) P-C4' energy: -141.111
flat angles C4'-P-C4' energy: -168.077
flat angles P-C4'-P energy: -122.475
tors. eta vs tors. theta energy: -218.627
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: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2521.797995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.797995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.275886 (E_RNA)
where:
Base-Base interactions energy: -1771.602
where: short stacking energy: -755.331
Base-Backbone interact. energy: -1.654
local terms energy: -760.019060
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -160.144
flat angles P-C4'-P energy: -120.293
tors. eta vs tors. theta energy: -230.944
Dist. restrs. and SS energy: 11.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2416.664012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.664012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.007200 (E_RNA)
where:
Base-Base interactions energy: -1693.858
where: short stacking energy: -707.791
Base-Backbone interact. energy: -3.905
local terms energy: -728.244460
where:
bonds (distance) C4'-P energy: -123.024
bonds (distance) P-C4' energy: -124.653
flat angles C4'-P-C4' energy: -166.275
flat angles P-C4'-P energy: -91.084
tors. eta vs tors. theta energy: -223.209
Dist. restrs. and SS energy: 9.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2303.250957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.250957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.291065 (E_RNA)
where:
Base-Base interactions energy: -1612.436
where: short stacking energy: -709.278
Base-Backbone interact. energy: -3.929
local terms energy: -699.925918
where:
bonds (distance) C4'-P energy: -123.409
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -97.821
tors. eta vs tors. theta energy: -212.203
Dist. restrs. and SS energy: 13.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2208.502948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.502948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.596166 (E_RNA)
where:
Base-Base interactions energy: -1555.858
where: short stacking energy: -644.385
Base-Backbone interact. energy: 0.135
local terms energy: -669.873188
where:
bonds (distance) C4'-P energy: -110.755
bonds (distance) P-C4' energy: -124.542
flat angles C4'-P-C4' energy: -138.815
flat angles P-C4'-P energy: -102.997
tors. eta vs tors. theta energy: -192.765
Dist. restrs. and SS energy: 17.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -2142.666398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.666398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.526442 (E_RNA)
where:
Base-Base interactions energy: -1523.369
where: short stacking energy: -605.450
Base-Backbone interact. energy: 0.464
local terms energy: -631.621164
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -124.780
flat angles C4'-P-C4' energy: -142.686
flat angles P-C4'-P energy: -79.706
tors. eta vs tors. theta energy: -182.809
Dist. restrs. and SS energy: 11.860 (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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -2048.849428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.849428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.630570 (E_RNA)
where:
Base-Base interactions energy: -1440.154
where: short stacking energy: -595.287
Base-Backbone interact. energy: -1.008
local terms energy: -619.468653
where:
bonds (distance) C4'-P energy: -111.693
bonds (distance) P-C4' energy: -116.798
flat angles C4'-P-C4' energy: -124.245
flat angles P-C4'-P energy: -97.286
tors. eta vs tors. theta energy: -169.447
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: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1976.983691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.983691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.003632 (E_RNA)
where:
Base-Base interactions energy: -1363.848
where: short stacking energy: -588.028
Base-Backbone interact. energy: 0.703
local terms energy: -637.858269
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -128.287
flat angles C4'-P-C4' energy: -123.517
flat angles P-C4'-P energy: -90.388
tors. eta vs tors. theta energy: -171.812
Dist. restrs. and SS energy: 24.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2835.404450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.404450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.163502 (E_RNA)
where:
Base-Base interactions energy: -1997.174
where: short stacking energy: -850.815
Base-Backbone interact. energy: -4.997
local terms energy: -835.991720
where:
bonds (distance) C4'-P energy: -142.608
bonds (distance) P-C4' energy: -137.497
flat angles C4'-P-C4' energy: -171.507
flat angles P-C4'-P energy: -123.767
tors. eta vs tors. theta energy: -260.612
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2702.531103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.531103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.687905 (E_RNA)
where:
Base-Base interactions energy: -1889.800
where: short stacking energy: -795.485
Base-Backbone interact. energy: -5.657
local terms energy: -813.230601
where:
bonds (distance) C4'-P energy: -151.050
bonds (distance) P-C4' energy: -146.363
flat angles C4'-P-C4' energy: -162.379
flat angles P-C4'-P energy: -119.281
tors. eta vs tors. theta energy: -234.157
Dist. restrs. and SS energy: 6.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2582.113534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.825753 (E_RNA)
where:
Base-Base interactions energy: -1819.081
where: short stacking energy: -786.123
Base-Backbone interact. energy: -3.593
local terms energy: -767.151394
where:
bonds (distance) C4'-P energy: -133.912
bonds (distance) P-C4' energy: -137.625
flat angles C4'-P-C4' energy: -159.447
flat angles P-C4'-P energy: -103.661
tors. eta vs tors. theta energy: -232.505
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: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2544.485581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.485581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.813198 (E_RNA)
where:
Base-Base interactions energy: -1813.215
where: short stacking energy: -725.112
Base-Backbone interact. energy: -0.225
local terms energy: -739.372844
where:
bonds (distance) C4'-P energy: -137.565
bonds (distance) P-C4' energy: -140.532
flat angles C4'-P-C4' energy: -159.443
flat angles P-C4'-P energy: -93.654
tors. eta vs tors. theta energy: -208.178
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: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2415.371155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.371155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.039816 (E_RNA)
where:
Base-Base interactions energy: -1684.306
where: short stacking energy: -729.887
Base-Backbone interact. energy: -2.446
local terms energy: -739.287470
where:
bonds (distance) C4'-P energy: -117.253
bonds (distance) P-C4' energy: -135.188
flat angles C4'-P-C4' energy: -151.299
flat angles P-C4'-P energy: -109.808
tors. eta vs tors. theta energy: -225.739
Dist. restrs. and SS energy: 10.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2301.594119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.594119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.259880 (E_RNA)
where:
Base-Base interactions energy: -1628.742
where: short stacking energy: -676.309
Base-Backbone interact. energy: 4.404
local terms energy: -691.922200
where:
bonds (distance) C4'-P energy: -116.802
bonds (distance) P-C4' energy: -136.114
flat angles C4'-P-C4' energy: -148.605
flat angles P-C4'-P energy: -88.107
tors. eta vs tors. theta energy: -202.294
Dist. restrs. and SS energy: 14.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2220.354354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.354354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.220501 (E_RNA)
where:
Base-Base interactions energy: -1590.248
where: short stacking energy: -665.765
Base-Backbone interact. energy: 0.011
local terms energy: -649.983904
where:
bonds (distance) C4'-P energy: -118.318
bonds (distance) P-C4' energy: -114.092
flat angles C4'-P-C4' energy: -152.405
flat angles P-C4'-P energy: -76.382
tors. eta vs tors. theta energy: -188.787
Dist. restrs. and SS energy: 19.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2132.153318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.153318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.053693 (E_RNA)
where:
Base-Base interactions energy: -1506.525
where: short stacking energy: -608.617
Base-Backbone interact. energy: 4.522
local terms energy: -644.050602
where:
bonds (distance) C4'-P energy: -120.385
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -149.628
flat angles P-C4'-P energy: -84.423
tors. eta vs tors. theta energy: -172.896
Dist. restrs. and SS energy: 13.900 (S_DIST_RNA)
chem. 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: -2100.337806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.337806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.197591 (E_RNA)
where:
Base-Base interactions energy: -1492.563
where: short stacking energy: -632.485
Base-Backbone interact. energy: -2.576
local terms energy: -617.058706
where:
bonds (distance) C4'-P energy: -116.333
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -138.055
flat angles P-C4'-P energy: -90.472
tors. eta vs tors. theta energy: -173.787
Dist. restrs. and SS energy: 11.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1989.102784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.102784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.643873 (E_RNA)
where:
Base-Base interactions energy: -1445.229
where: short stacking energy: -568.758
Base-Backbone interact. energy: 4.534
local terms energy: -564.948879
where:
bonds (distance) C4'-P energy: -109.082
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -121.409
flat angles P-C4'-P energy: -86.564
tors. eta vs tors. theta energy: -142.153
Dist. restrs. and SS energy: 16.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2802.121599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.121599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.914046 (E_RNA)
where:
Base-Base interactions energy: -1980.224
where: short stacking energy: -850.108
Base-Backbone interact. energy: 5.400
local terms energy: -831.089409
where:
bonds (distance) C4'-P energy: -136.360
bonds (distance) P-C4' energy: -148.780
flat angles C4'-P-C4' energy: -162.781
flat angles P-C4'-P energy: -118.904
tors. eta vs tors. theta energy: -264.265
Dist. restrs. and SS energy: 3.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2698.153343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.153343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.098689 (E_RNA)
where:
Base-Base interactions energy: -1890.331
where: short stacking energy: -789.557
Base-Backbone interact. energy: -4.210
local terms energy: -810.557783
where:
bonds (distance) C4'-P energy: -146.458
bonds (distance) P-C4' energy: -145.666
flat angles C4'-P-C4' energy: -166.176
flat angles P-C4'-P energy: -114.267
tors. eta vs tors. theta energy: -237.990
Dist. restrs. and SS energy: 6.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2531.047364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.047364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.900525 (E_RNA)
where:
Base-Base interactions energy: -1778.154
where: short stacking energy: -765.563
Base-Backbone interact. energy: -0.891
local terms energy: -764.854818
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -150.720
flat angles C4'-P-C4' energy: -162.531
flat angles P-C4'-P energy: -109.870
tors. eta vs tors. theta energy: -221.764
Dist. restrs. and SS energy: 12.853 (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: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2601.929835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.929835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.500316 (E_RNA)
where:
Base-Base interactions energy: -1842.929
where: short stacking energy: -785.164
Base-Backbone interact. energy: -5.132
local terms energy: -762.439406
where:
bonds (distance) C4'-P energy: -125.228
bonds (distance) P-C4' energy: -137.306
flat angles C4'-P-C4' energy: -163.774
flat angles P-C4'-P energy: -106.366
tors. eta vs tors. theta energy: -229.765
Dist. restrs. and SS energy: 8.570 (S_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: 211
Temperature: 1.100000
Total energy: -2413.355051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.355051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.343474 (E_RNA)
where:
Base-Base interactions energy: -1715.417
where: short stacking energy: -720.693
Base-Backbone interact. energy: 3.741
local terms energy: -708.667405
where:
bonds (distance) C4'-P energy: -119.180
bonds (distance) P-C4' energy: -123.378
flat angles C4'-P-C4' energy: -157.691
flat angles P-C4'-P energy: -93.320
tors. eta vs tors. theta energy: -215.098
Dist. restrs. and SS energy: 6.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2291.375953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.375953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.582931 (E_RNA)
where:
Base-Base interactions energy: -1595.475
where: short stacking energy: -653.397
Base-Backbone interact. energy: -3.263
local terms energy: -705.845232
where:
bonds (distance) C4'-P energy: -134.205
bonds (distance) P-C4' energy: -123.681
flat angles C4'-P-C4' energy: -155.982
flat angles P-C4'-P energy: -92.759
tors. eta vs tors. theta energy: -199.219
Dist. restrs. and SS energy: 13.207 (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: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2165.192652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.192652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.027683 (E_RNA)
where:
Base-Base interactions energy: -1535.000
where: short stacking energy: -655.492
Base-Backbone interact. energy: 0.437
local terms energy: -649.465134
where:
bonds (distance) C4'-P energy: -106.935
bonds (distance) P-C4' energy: -121.662
flat angles C4'-P-C4' energy: -136.052
flat angles P-C4'-P energy: -94.967
tors. eta vs tors. theta energy: -189.849
Dist. restrs. and SS energy: 18.835 (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: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2164.464278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.464278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.353086 (E_RNA)
where:
Base-Base interactions energy: -1535.038
where: short stacking energy: -622.454
Base-Backbone interact. energy: 0.576
local terms energy: -641.891524
where:
bonds (distance) C4'-P energy: -112.261
bonds (distance) P-C4' energy: -120.839
flat angles C4'-P-C4' energy: -139.295
flat angles P-C4'-P energy: -87.453
tors. eta vs tors. theta energy: -182.043
Dist. restrs. and SS energy: 11.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -2041.358203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.358203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.010513 (E_RNA)
where:
Base-Base interactions energy: -1470.707
where: short stacking energy: -592.384
Base-Backbone interact. energy: -0.082
local terms energy: -592.221441
where:
bonds (distance) C4'-P energy: -101.321
bonds (distance) P-C4' energy: -118.638
flat angles C4'-P-C4' energy: -132.833
flat angles P-C4'-P energy: -80.976
tors. eta vs tors. theta energy: -158.453
Dist. restrs. and SS energy: 21.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1953.322974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.322974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.840597 (E_RNA)
where:
Base-Base interactions energy: -1418.265
where: short stacking energy: -609.590
Base-Backbone interact. energy: 0.663
local terms energy: -556.238137
where:
bonds (distance) C4'-P energy: -106.643
bonds (distance) P-C4' energy: -90.583
flat angles C4'-P-C4' energy: -113.312
flat angles P-C4'-P energy: -74.898
tors. eta vs tors. theta energy: -170.801
Dist. restrs. and SS energy: 20.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2791.628424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.628424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.356175 (E_RNA)
where:
Base-Base interactions energy: -1966.669
where: short stacking energy: -850.741
Base-Backbone interact. energy: 2.688
local terms energy: -830.374612
where:
bonds (distance) C4'-P energy: -153.218
bonds (distance) P-C4' energy: -123.936
flat angles C4'-P-C4' energy: -178.017
flat angles P-C4'-P energy: -117.177
tors. eta vs tors. theta energy: -258.027
Dist. restrs. and SS energy: 2.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2695.443392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.845488 (E_RNA)
where:
Base-Base interactions energy: -1896.564
where: short stacking energy: -794.520
Base-Backbone interact. energy: -3.910
local terms energy: -801.371142
where:
bonds (distance) C4'-P energy: -140.487
bonds (distance) P-C4' energy: -138.963
flat angles C4'-P-C4' energy: -173.931
flat angles P-C4'-P energy: -107.899
tors. eta vs tors. theta energy: -240.092
Dist. restrs. and SS energy: 6.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2523.708610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.708610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.774719 (E_RNA)
where:
Base-Base interactions energy: -1770.088
where: short stacking energy: -759.466
Base-Backbone interact. energy: -2.127
local terms energy: -758.559216
where:
bonds (distance) C4'-P energy: -146.101
bonds (distance) P-C4' energy: -141.617
flat angles C4'-P-C4' energy: -159.992
flat angles P-C4'-P energy: -94.654
tors. eta vs tors. theta energy: -216.194
Dist. restrs. and SS energy: 7.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2510.761424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.761424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.039147 (E_RNA)
where:
Base-Base interactions energy: -1771.933
where: short stacking energy: -725.085
Base-Backbone interact. energy: 0.141
local terms energy: -748.247364
where:
bonds (distance) C4'-P energy: -129.533
bonds (distance) P-C4' energy: -139.523
flat angles C4'-P-C4' energy: -160.292
flat angles P-C4'-P energy: -105.027
tors. eta vs tors. theta energy: -213.872
Dist. restrs. and SS energy: 9.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2392.591216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.591216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.624982 (E_RNA)
where:
Base-Base interactions energy: -1674.063
where: short stacking energy: -717.042
Base-Backbone interact. energy: 2.167
local terms energy: -731.729216
where:
bonds (distance) C4'-P energy: -133.578
bonds (distance) P-C4' energy: -132.721
flat angles C4'-P-C4' energy: -152.042
flat angles P-C4'-P energy: -100.553
tors. eta vs tors. theta energy: -212.836
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: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2271.356573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.356573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.939141 (E_RNA)
where:
Base-Base interactions energy: -1604.548
where: short stacking energy: -696.148
Base-Backbone interact. energy: 8.801
local terms energy: -685.192717
where:
bonds (distance) C4'-P energy: -144.723
bonds (distance) P-C4' energy: -122.525
flat angles C4'-P-C4' energy: -142.855
flat angles P-C4'-P energy: -79.872
tors. eta vs tors. theta energy: -195.218
Dist. restrs. and SS energy: 9.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2206.531242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.531242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.998060 (E_RNA)
where:
Base-Base interactions energy: -1587.660
where: short stacking energy: -666.577
Base-Backbone interact. energy: -3.621
local terms energy: -624.716859
where:
bonds (distance) C4'-P energy: -116.063
bonds (distance) P-C4' energy: -110.624
flat angles C4'-P-C4' energy: -131.037
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -195.891
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: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2191.455054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.455054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.563949 (E_RNA)
where:
Base-Base interactions energy: -1578.542
where: short stacking energy: -651.382
Base-Backbone interact. energy: 0.001
local terms energy: -624.023192
where:
bonds (distance) C4'-P energy: -110.376
bonds (distance) P-C4' energy: -107.872
flat angles C4'-P-C4' energy: -141.947
flat angles P-C4'-P energy: -67.458
tors. eta vs tors. theta energy: -196.370
Dist. restrs. and SS energy: 11.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -2021.120169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.120169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.929405 (E_RNA)
where:
Base-Base interactions energy: -1402.452
where: short stacking energy: -573.409
Base-Backbone interact. energy: -2.837
local terms energy: -635.640777
where:
bonds (distance) C4'-P energy: -116.783
bonds (distance) P-C4' energy: -118.228
flat angles C4'-P-C4' energy: -154.635
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -166.687
Dist. restrs. and SS energy: 19.809 (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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -2063.344220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.344220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.757307 (E_RNA)
where:
Base-Base interactions energy: -1452.544
where: short stacking energy: -588.505
Base-Backbone interact. energy: -3.369
local terms energy: -618.843963
where:
bonds (distance) C4'-P energy: -114.306
bonds (distance) P-C4' energy: -122.355
flat angles C4'-P-C4' energy: -121.452
flat angles P-C4'-P energy: -101.215
tors. eta vs tors. theta energy: -159.516
Dist. restrs. and SS energy: 11.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2808.582641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.582641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.893360 (E_RNA)
where:
Base-Base interactions energy: -1979.519
where: short stacking energy: -856.991
Base-Backbone interact. energy: -3.688
local terms energy: -828.686611
where:
bonds (distance) C4'-P energy: -143.285
bonds (distance) P-C4' energy: -131.099
flat angles C4'-P-C4' energy: -172.840
flat angles P-C4'-P energy: -128.988
tors. eta vs tors. theta energy: -252.474
Dist. restrs. and SS energy: 3.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2686.944646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.944646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.735745 (E_RNA)
where:
Base-Base interactions energy: -1867.691
where: short stacking energy: -794.373
Base-Backbone interact. energy: -4.653
local terms energy: -823.391726
where:
bonds (distance) C4'-P energy: -143.044
bonds (distance) P-C4' energy: -157.020
flat angles C4'-P-C4' energy: -169.603
flat angles P-C4'-P energy: -106.960
tors. eta vs tors. theta energy: -246.764
Dist. restrs. and SS energy: 8.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2558.261097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.261097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.361650 (E_RNA)
where:
Base-Base interactions energy: -1790.585
where: short stacking energy: -755.549
Base-Backbone interact. energy: -3.164
local terms energy: -772.613055
where:
bonds (distance) C4'-P energy: -123.339
bonds (distance) P-C4' energy: -135.375
flat angles C4'-P-C4' energy: -167.032
flat angles P-C4'-P energy: -121.160
tors. eta vs tors. theta energy: -225.706
Dist. restrs. and SS energy: 8.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2527.637929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.637929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.502945 (E_RNA)
where:
Base-Base interactions energy: -1791.424
where: short stacking energy: -743.879
Base-Backbone interact. energy: -0.312
local terms energy: -741.766668
where:
bonds (distance) C4'-P energy: -119.366
bonds (distance) P-C4' energy: -138.368
flat angles C4'-P-C4' energy: -159.133
flat angles P-C4'-P energy: -105.540
tors. eta vs tors. theta energy: -219.359
Dist. restrs. and SS energy: 5.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2434.106631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.106631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.668954 (E_RNA)
where:
Base-Base interactions energy: -1686.159
where: short stacking energy: -726.743
Base-Backbone interact. energy: -1.281
local terms energy: -758.228961
where:
bonds (distance) C4'-P energy: -123.737
bonds (distance) P-C4' energy: -140.923
flat angles C4'-P-C4' energy: -157.721
flat angles P-C4'-P energy: -109.899
tors. eta vs tors. theta energy: -225.948
Dist. restrs. and SS energy: 11.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2298.487547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.487547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.294934 (E_RNA)
where:
Base-Base interactions energy: -1647.060
where: short stacking energy: -670.192
Base-Backbone interact. energy: 2.788
local terms energy: -668.022801
where:
bonds (distance) C4'-P energy: -130.879
bonds (distance) P-C4' energy: -112.801
flat angles C4'-P-C4' energy: -154.842
flat angles P-C4'-P energy: -71.230
tors. eta vs tors. theta energy: -198.271
Dist. restrs. and SS energy: 13.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2211.714601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.714601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.569327 (E_RNA)
where:
Base-Base interactions energy: -1566.692
where: short stacking energy: -651.767
Base-Backbone interact. energy: 3.768
local terms energy: -662.644933
where:
bonds (distance) C4'-P energy: -117.337
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -146.929
flat angles P-C4'-P energy: -97.733
tors. eta vs tors. theta energy: -193.956
Dist. restrs. and SS energy: 13.855 (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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2192.674793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.674793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.692492 (E_RNA)
where:
Base-Base interactions energy: -1547.907
where: short stacking energy: -649.069
Base-Backbone interact. energy: -0.821
local terms energy: -652.964110
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -133.261
flat angles P-C4'-P energy: -101.188
tors. eta vs tors. theta energy: -197.628
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: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -2005.634075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.634075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.235830 (E_RNA)
where:
Base-Base interactions energy: -1434.479
where: short stacking energy: -579.070
Base-Backbone interact. energy: 10.178
local terms energy: -602.934487
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -112.885
flat angles C4'-P-C4' energy: -132.728
flat angles P-C4'-P energy: -79.244
tors. eta vs tors. theta energy: -165.616
Dist. restrs. and SS energy: 21.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -2006.674816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.674816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.497139 (E_RNA)
where:
Base-Base interactions energy: -1430.266
where: short stacking energy: -582.888
Base-Backbone interact. energy: 6.774
local terms energy: -602.004846
where:
bonds (distance) C4'-P energy: -109.803
bonds (distance) P-C4' energy: -106.682
flat angles C4'-P-C4' energy: -119.794
flat angles P-C4'-P energy: -88.157
tors. eta vs tors. theta energy: -177.570
Dist. restrs. and SS energy: 18.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2815.728188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.728188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.257063 (E_RNA)
where:
Base-Base interactions energy: -1978.394
where: short stacking energy: -830.871
Base-Backbone interact. energy: -5.020
local terms energy: -835.842572
where:
bonds (distance) C4'-P energy: -149.781
bonds (distance) P-C4' energy: -135.203
flat angles C4'-P-C4' energy: -178.737
flat angles P-C4'-P energy: -124.742
tors. eta vs tors. theta energy: -247.380
Dist. restrs. and SS energy: 3.529 (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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2667.904855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.904855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.986403 (E_RNA)
where:
Base-Base interactions energy: -1873.648
where: short stacking energy: -776.239
Base-Backbone interact. energy: -5.867
local terms energy: -796.471086
where:
bonds (distance) C4'-P energy: -145.886
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -156.861
flat angles P-C4'-P energy: -115.527
tors. eta vs tors. theta energy: -233.352
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: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2571.670271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.670271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.213033 (E_RNA)
where:
Base-Base interactions energy: -1817.404
where: short stacking energy: -771.354
Base-Backbone interact. energy: 0.295
local terms energy: -766.103819
where:
bonds (distance) C4'-P energy: -136.891
bonds (distance) P-C4' energy: -131.257
flat angles C4'-P-C4' energy: -166.706
flat angles P-C4'-P energy: -111.242
tors. eta vs tors. theta energy: -220.008
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: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2459.580579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.580579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.639990 (E_RNA)
where:
Base-Base interactions energy: -1729.774
where: short stacking energy: -743.039
Base-Backbone interact. energy: -1.129
local terms energy: -736.736645
where:
bonds (distance) C4'-P energy: -148.709
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -151.775
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -210.162
Dist. restrs. and SS energy: 8.059 (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: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2428.734018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.734018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.520415 (E_RNA)
where:
Base-Base interactions energy: -1691.408
where: short stacking energy: -727.702
Base-Backbone interact. energy: -3.555
local terms energy: -748.557031
where:
bonds (distance) C4'-P energy: -134.328
bonds (distance) P-C4' energy: -132.308
flat angles C4'-P-C4' energy: -158.197
flat angles P-C4'-P energy: -107.674
tors. eta vs tors. theta energy: -216.050
Dist. restrs. and SS energy: 14.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2323.172935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.172935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.475121 (E_RNA)
where:
Base-Base interactions energy: -1640.264
where: short stacking energy: -670.843
Base-Backbone interact. energy: 0.634
local terms energy: -696.844859
where:
bonds (distance) C4'-P energy: -107.788
bonds (distance) P-C4' energy: -135.607
flat angles C4'-P-C4' energy: -151.294
flat angles P-C4'-P energy: -99.421
tors. eta vs tors. theta energy: -202.735
Dist. restrs. and SS energy: 13.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2259.797279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.797279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.265341 (E_RNA)
where:
Base-Base interactions energy: -1613.103
where: short stacking energy: -661.975
Base-Backbone interact. energy: -2.557
local terms energy: -651.605321
where:
bonds (distance) C4'-P energy: -118.316
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -147.853
flat angles P-C4'-P energy: -83.815
tors. eta vs tors. theta energy: -188.899
Dist. restrs. and SS energy: 7.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2171.529685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.529685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.969055 (E_RNA)
where:
Base-Base interactions energy: -1559.591
where: short stacking energy: -660.925
Base-Backbone interact. energy: -1.306
local terms energy: -623.072226
where:
bonds (distance) C4'-P energy: -104.345
bonds (distance) P-C4' energy: -114.377
flat angles C4'-P-C4' energy: -142.378
flat angles P-C4'-P energy: -87.887
tors. eta vs tors. theta energy: -174.085
Dist. restrs. and SS energy: 12.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2074.610501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.610501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.541588 (E_RNA)
where:
Base-Base interactions energy: -1480.546
where: short stacking energy: -611.560
Base-Backbone interact. energy: 3.446
local terms energy: -623.442388
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -127.888
flat angles P-C4'-P energy: -89.315
tors. eta vs tors. theta energy: -175.390
Dist. restrs. and SS energy: 25.931 (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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -2023.739009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.739009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.625127 (E_RNA)
where:
Base-Base interactions energy: -1410.740
where: short stacking energy: -591.226
Base-Backbone interact. energy: -1.676
local terms energy: -632.209099
where:
bonds (distance) C4'-P energy: -100.624
bonds (distance) P-C4' energy: -121.895
flat angles C4'-P-C4' energy: -143.192
flat angles P-C4'-P energy: -88.055
tors. eta vs tors. theta energy: -178.443
Dist. restrs. and SS energy: 20.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2791.037734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.037734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.795710 (E_RNA)
where:
Base-Base interactions energy: -1962.238
where: short stacking energy: -825.960
Base-Backbone interact. energy: 3.480
local terms energy: -836.038209
where:
bonds (distance) C4'-P energy: -131.293
bonds (distance) P-C4' energy: -145.073
flat angles C4'-P-C4' energy: -187.116
flat angles P-C4'-P energy: -118.576
tors. eta vs tors. theta energy: -253.980
Dist. restrs. and SS energy: 3.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2683.031288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.031288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.081013 (E_RNA)
where:
Base-Base interactions energy: -1898.243
where: short stacking energy: -770.492
Base-Backbone interact. energy: -4.261
local terms energy: -786.577185
where:
bonds (distance) C4'-P energy: -142.330
bonds (distance) P-C4' energy: -142.272
flat angles C4'-P-C4' energy: -156.696
flat angles P-C4'-P energy: -111.005
tors. eta vs tors. theta energy: -234.274
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: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2548.161509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.161509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.449721 (E_RNA)
where:
Base-Base interactions energy: -1772.616
where: short stacking energy: -751.520
Base-Backbone interact. energy: 2.579
local terms energy: -789.413272
where:
bonds (distance) C4'-P energy: -148.780
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -156.699
flat angles P-C4'-P energy: -113.139
tors. eta vs tors. theta energy: -229.428
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: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2458.812482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.812482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.949808 (E_RNA)
where:
Base-Base interactions energy: -1701.142
where: short stacking energy: -727.527
Base-Backbone interact. energy: -2.878
local terms energy: -762.929826
where:
bonds (distance) C4'-P energy: -146.191
bonds (distance) P-C4' energy: -142.001
flat angles C4'-P-C4' energy: -168.179
flat angles P-C4'-P energy: -92.278
tors. eta vs tors. theta energy: -214.282
Dist. restrs. and SS energy: 8.137 (S_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: 215
Temperature: 1.100000
Total energy: -2406.480717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.480717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.143890 (E_RNA)
where:
Base-Base interactions energy: -1695.416
where: short stacking energy: -710.709
Base-Backbone interact. energy: -1.601
local terms energy: -720.127184
where:
bonds (distance) C4'-P energy: -131.826
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -158.264
flat angles P-C4'-P energy: -90.007
tors. eta vs tors. theta energy: -220.460
Dist. restrs. and SS energy: 10.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2298.289207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.289207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.210601 (E_RNA)
where:
Base-Base interactions energy: -1607.560
where: short stacking energy: -686.304
Base-Backbone interact. energy: 1.423
local terms energy: -703.073632
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -141.410
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -102.973
tors. eta vs tors. theta energy: -191.308
Dist. restrs. and SS energy: 10.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2213.389990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.389990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.756617 (E_RNA)
where:
Base-Base interactions energy: -1566.990
where: short stacking energy: -661.841
Base-Backbone interact. energy: 5.364
local terms energy: -663.130659
where:
bonds (distance) C4'-P energy: -117.935
bonds (distance) P-C4' energy: -113.438
flat angles C4'-P-C4' energy: -140.863
flat angles P-C4'-P energy: -93.299
tors. eta vs tors. theta energy: -197.596
Dist. restrs. and SS energy: 11.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2155.591146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.591146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.630543 (E_RNA)
where:
Base-Base interactions energy: -1507.415
where: short stacking energy: -608.558
Base-Backbone interact. energy: 2.084
local terms energy: -663.299778
where:
bonds (distance) C4'-P energy: -123.261
bonds (distance) P-C4' energy: -117.048
flat angles C4'-P-C4' energy: -135.213
flat angles P-C4'-P energy: -93.025
tors. eta vs tors. theta energy: -194.754
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: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -2051.023383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.023383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.686461 (E_RNA)
where:
Base-Base interactions energy: -1428.042
where: short stacking energy: -574.459
Base-Backbone interact. energy: -0.584
local terms energy: -640.059732
where:
bonds (distance) C4'-P energy: -119.165
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -139.242
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -170.229
Dist. restrs. and SS energy: 17.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1994.102976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.102976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.438801 (E_RNA)
where:
Base-Base interactions energy: -1454.899
where: short stacking energy: -593.383
Base-Backbone interact. energy: 1.554
local terms energy: -554.093587
where:
bonds (distance) C4'-P energy: -101.476
bonds (distance) P-C4' energy: -111.407
flat angles C4'-P-C4' energy: -119.329
flat angles P-C4'-P energy: -62.910
tors. eta vs tors. theta energy: -158.971
Dist. restrs. and SS energy: 13.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2796.186824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.186824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.587989 (E_RNA)
where:
Base-Base interactions energy: -1953.796
where: short stacking energy: -854.511
Base-Backbone interact. energy: -4.078
local terms energy: -841.714087
where:
bonds (distance) C4'-P energy: -146.367
bonds (distance) P-C4' energy: -127.460
flat angles C4'-P-C4' energy: -179.777
flat angles P-C4'-P energy: -114.915
tors. eta vs tors. theta energy: -273.195
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: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2721.898646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.898646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.427983 (E_RNA)
where:
Base-Base interactions energy: -1905.751
where: short stacking energy: -809.634
Base-Backbone interact. energy: -2.313
local terms energy: -820.363888
where:
bonds (distance) C4'-P energy: -136.908
bonds (distance) P-C4' energy: -150.616
flat angles C4'-P-C4' energy: -165.169
flat angles P-C4'-P energy: -114.939
tors. eta vs tors. theta energy: -252.731
Dist. restrs. and SS energy: 6.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2577.383991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.383991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.740734 (E_RNA)
where:
Base-Base interactions energy: -1783.293
where: short stacking energy: -776.525
Base-Backbone interact. energy: -2.407
local terms energy: -803.041123
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -159.545
flat angles C4'-P-C4' energy: -166.413
flat angles P-C4'-P energy: -121.196
tors. eta vs tors. theta energy: -228.330
Dist. restrs. and SS energy: 11.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2509.690849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.690849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.406744 (E_RNA)
where:
Base-Base interactions energy: -1780.522
where: short stacking energy: -756.881
Base-Backbone interact. energy: -2.648
local terms energy: -743.236520
where:
bonds (distance) C4'-P energy: -127.341
bonds (distance) P-C4' energy: -134.857
flat angles C4'-P-C4' energy: -152.073
flat angles P-C4'-P energy: -111.401
tors. eta vs tors. theta energy: -217.565
Dist. restrs. and SS energy: 16.716 (S_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: 216
Temperature: 1.100000
Total energy: -2387.505371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.505371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.757321 (E_RNA)
where:
Base-Base interactions energy: -1681.211
where: short stacking energy: -718.799
Base-Backbone interact. energy: -3.497
local terms energy: -713.048584
where:
bonds (distance) C4'-P energy: -123.522
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -157.019
flat angles P-C4'-P energy: -96.753
tors. eta vs tors. theta energy: -216.574
Dist. restrs. and SS energy: 10.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2310.538821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.538821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.851585 (E_RNA)
where:
Base-Base interactions energy: -1640.438
where: short stacking energy: -695.398
Base-Backbone interact. energy: 0.050
local terms energy: -683.463453
where:
bonds (distance) C4'-P energy: -121.345
bonds (distance) P-C4' energy: -134.156
flat angles C4'-P-C4' energy: -135.529
flat angles P-C4'-P energy: -83.691
tors. eta vs tors. theta energy: -208.743
Dist. restrs. and SS energy: 13.313 (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: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2219.574262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.191096 (E_RNA)
where:
Base-Base interactions energy: -1541.994
where: short stacking energy: -631.712
Base-Backbone interact. energy: -2.256
local terms energy: -691.941642
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -119.427
flat angles C4'-P-C4' energy: -139.329
flat angles P-C4'-P energy: -97.768
tors. eta vs tors. theta energy: -197.372
Dist. restrs. and SS energy: 16.617 (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: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2159.156935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.156935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.605358 (E_RNA)
where:
Base-Base interactions energy: -1502.320
where: short stacking energy: -656.337
Base-Backbone interact. energy: 4.633
local terms energy: -670.918424
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -138.984
flat angles C4'-P-C4' energy: -142.173
flat angles P-C4'-P energy: -77.156
tors. eta vs tors. theta energy: -199.366
Dist. restrs. and SS energy: 9.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -2049.526095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.526095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.050601 (E_RNA)
where:
Base-Base interactions energy: -1423.704
where: short stacking energy: -567.906
Base-Backbone interact. energy: -0.551
local terms energy: -640.795540
where:
bonds (distance) C4'-P energy: -141.153
bonds (distance) P-C4' energy: -125.623
flat angles C4'-P-C4' energy: -138.793
flat angles P-C4'-P energy: -79.403
tors. eta vs tors. theta energy: -155.823
Dist. restrs. and SS energy: 15.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1971.724165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.724165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.501574 (E_RNA)
where:
Base-Base interactions energy: -1399.148
where: short stacking energy: -564.795
Base-Backbone interact. energy: -0.358
local terms energy: -595.995615
where:
bonds (distance) C4'-P energy: -111.735
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -92.238
tors. eta vs tors. theta energy: -165.664
Dist. restrs. and SS energy: 23.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2809.446167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.446167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.698659 (E_RNA)
where:
Base-Base interactions energy: -1952.217
where: short stacking energy: -853.231
Base-Backbone interact. energy: -2.868
local terms energy: -856.613212
where:
bonds (distance) C4'-P energy: -145.228
bonds (distance) P-C4' energy: -150.455
flat angles C4'-P-C4' energy: -173.920
flat angles P-C4'-P energy: -120.750
tors. eta vs tors. theta energy: -266.261
Dist. restrs. and SS energy: 2.252 (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: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2671.533382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.533382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.239848 (E_RNA)
where:
Base-Base interactions energy: -1870.955
where: short stacking energy: -762.597
Base-Backbone interact. energy: 0.692
local terms energy: -808.976908
where:
bonds (distance) C4'-P energy: -140.331
bonds (distance) P-C4' energy: -148.546
flat angles C4'-P-C4' energy: -161.549
flat angles P-C4'-P energy: -121.471
tors. eta vs tors. theta energy: -237.081
Dist. restrs. and SS energy: 7.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2559.384072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.384072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.895858 (E_RNA)
where:
Base-Base interactions energy: -1813.561
where: short stacking energy: -749.371
Base-Backbone interact. energy: 7.419
local terms energy: -762.753678
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -142.165
flat angles C4'-P-C4' energy: -169.869
flat angles P-C4'-P energy: -108.752
tors. eta vs tors. theta energy: -213.689
Dist. restrs. and SS energy: 9.512 (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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2505.493005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.493005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.943627 (E_RNA)
where:
Base-Base interactions energy: -1741.448
where: short stacking energy: -741.906
Base-Backbone interact. energy: -1.876
local terms energy: -769.618839
where:
bonds (distance) C4'-P energy: -139.844
bonds (distance) P-C4' energy: -130.231
flat angles C4'-P-C4' energy: -158.054
flat angles P-C4'-P energy: -107.090
tors. eta vs tors. theta energy: -234.400
Dist. restrs. and SS energy: 7.451 (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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2402.468790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.468790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.384070 (E_RNA)
where:
Base-Base interactions energy: -1669.645
where: short stacking energy: -719.712
Base-Backbone interact. energy: -3.745
local terms energy: -737.994755
where:
bonds (distance) C4'-P energy: -122.544
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -160.357
flat angles P-C4'-P energy: -103.235
tors. eta vs tors. theta energy: -223.031
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: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2318.678580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.678580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.557984 (E_RNA)
where:
Base-Base interactions energy: -1633.154
where: short stacking energy: -687.929
Base-Backbone interact. energy: -1.222
local terms energy: -701.181170
where:
bonds (distance) C4'-P energy: -125.023
bonds (distance) P-C4' energy: -123.642
flat angles C4'-P-C4' energy: -153.956
flat angles P-C4'-P energy: -101.198
tors. eta vs tors. theta energy: -197.362
Dist. restrs. and SS energy: 16.879 (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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2202.996018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.996018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.265495 (E_RNA)
where:
Base-Base interactions energy: -1582.497
where: short stacking energy: -668.377
Base-Backbone interact. energy: 6.154
local terms energy: -642.923185
where:
bonds (distance) C4'-P energy: -125.868
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -136.560
flat angles P-C4'-P energy: -97.117
tors. eta vs tors. theta energy: -177.104
Dist. restrs. and SS energy: 16.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2212.300762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.300762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.333398 (E_RNA)
where:
Base-Base interactions energy: -1572.681
where: short stacking energy: -683.882
Base-Backbone interact. energy: -4.343
local terms energy: -646.309903
where:
bonds (distance) C4'-P energy: -123.503
bonds (distance) P-C4' energy: -117.930
flat angles C4'-P-C4' energy: -133.058
flat angles P-C4'-P energy: -78.372
tors. eta vs tors. theta energy: -193.447
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: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -2071.836416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.836416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.145273 (E_RNA)
where:
Base-Base interactions energy: -1442.476
where: short stacking energy: -580.702
Base-Backbone interact. energy: -2.984
local terms energy: -639.685205
where:
bonds (distance) C4'-P energy: -116.916
bonds (distance) P-C4' energy: -128.199
flat angles C4'-P-C4' energy: -123.548
flat angles P-C4'-P energy: -98.606
tors. eta vs tors. theta energy: -172.416
Dist. restrs. and SS energy: 13.309 (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: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1986.640858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.640858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.120317 (E_RNA)
where:
Base-Base interactions energy: -1403.635
where: short stacking energy: -567.015
Base-Backbone interact. energy: 0.202
local terms energy: -606.687666
where:
bonds (distance) C4'-P energy: -109.686
bonds (distance) P-C4' energy: -120.665
flat angles C4'-P-C4' energy: -136.155
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -161.204
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)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2809.913942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.913942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.303420 (E_RNA)
where:
Base-Base interactions energy: -1965.558
where: short stacking energy: -828.022
Base-Backbone interact. energy: -0.449
local terms energy: -846.297274
where:
bonds (distance) C4'-P energy: -146.307
bonds (distance) P-C4' energy: -145.814
flat angles C4'-P-C4' energy: -167.506
flat angles P-C4'-P energy: -124.582
tors. eta vs tors. theta energy: -262.088
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2696.282661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.282661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.196509 (E_RNA)
where:
Base-Base interactions energy: -1912.688
where: short stacking energy: -805.106
Base-Backbone interact. energy: -2.979
local terms energy: -787.528733
where:
bonds (distance) C4'-P energy: -139.554
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -117.832
tors. eta vs tors. theta energy: -229.631
Dist. restrs. and SS energy: 6.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2545.591744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.591744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.904047 (E_RNA)
where:
Base-Base interactions energy: -1795.686
where: short stacking energy: -761.603
Base-Backbone interact. energy: -1.368
local terms energy: -757.850579
where:
bonds (distance) C4'-P energy: -125.542
bonds (distance) P-C4' energy: -146.368
flat angles C4'-P-C4' energy: -163.329
flat angles P-C4'-P energy: -103.678
tors. eta vs tors. theta energy: -218.933
Dist. restrs. and SS energy: 9.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2527.573399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.573399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.123922 (E_RNA)
where:
Base-Base interactions energy: -1761.489
where: short stacking energy: -694.274
Base-Backbone interact. energy: -2.598
local terms energy: -769.036816
where:
bonds (distance) C4'-P energy: -138.407
bonds (distance) P-C4' energy: -144.741
flat angles C4'-P-C4' energy: -155.802
flat angles P-C4'-P energy: -107.429
tors. eta vs tors. theta energy: -222.658
Dist. restrs. and SS energy: 5.551 (S_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: 218
Temperature: 1.100000
Total energy: -2424.696521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.696521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.655423 (E_RNA)
where:
Base-Base interactions energy: -1715.550
where: short stacking energy: -749.438
Base-Backbone interact. energy: -0.555
local terms energy: -716.549691
where:
bonds (distance) C4'-P energy: -126.991
bonds (distance) P-C4' energy: -108.546
flat angles C4'-P-C4' energy: -153.287
flat angles P-C4'-P energy: -108.899
tors. eta vs tors. theta energy: -218.826
Dist. restrs. and SS energy: 7.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2280.718595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.718595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.870982 (E_RNA)
where:
Base-Base interactions energy: -1596.579
where: short stacking energy: -685.592
Base-Backbone interact. energy: -1.224
local terms energy: -700.068409
where:
bonds (distance) C4'-P energy: -135.038
bonds (distance) P-C4' energy: -137.915
flat angles C4'-P-C4' energy: -135.674
flat angles P-C4'-P energy: -96.402
tors. eta vs tors. theta energy: -195.039
Dist. restrs. and SS energy: 17.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2238.674891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.674891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.961281 (E_RNA)
where:
Base-Base interactions energy: -1574.641
where: short stacking energy: -669.031
Base-Backbone interact. energy: -2.177
local terms energy: -671.143019
where:
bonds (distance) C4'-P energy: -117.682
bonds (distance) P-C4' energy: -119.067
flat angles C4'-P-C4' energy: -146.191
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -202.332
Dist. restrs. and SS energy: 9.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2220.721217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.721217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.521026 (E_RNA)
where:
Base-Base interactions energy: -1570.645
where: short stacking energy: -637.340
Base-Backbone interact. energy: -2.448
local terms energy: -658.427864
where:
bonds (distance) C4'-P energy: -126.183
bonds (distance) P-C4' energy: -125.861
flat angles C4'-P-C4' energy: -134.006
flat angles P-C4'-P energy: -89.301
tors. eta vs tors. theta energy: -183.077
Dist. restrs. and SS energy: 10.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -2079.529223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.529223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.024598 (E_RNA)
where:
Base-Base interactions energy: -1470.968
where: short stacking energy: -617.412
Base-Backbone interact. energy: -1.048
local terms energy: -617.008413
where:
bonds (distance) C4'-P energy: -126.387
bonds (distance) P-C4' energy: -115.241
flat angles C4'-P-C4' energy: -135.542
flat angles P-C4'-P energy: -76.875
tors. eta vs tors. theta energy: -162.964
Dist. restrs. and SS energy: 9.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -2037.723683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.723683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.759221 (E_RNA)
where:
Base-Base interactions energy: -1465.300
where: short stacking energy: -627.344
Base-Backbone interact. energy: 0.278
local terms energy: -582.737682
where:
bonds (distance) C4'-P energy: -96.604
bonds (distance) P-C4' energy: -92.259
flat angles C4'-P-C4' energy: -133.128
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -179.035
Dist. restrs. and SS energy: 10.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2796.952991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.952991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.143997 (E_RNA)
where:
Base-Base interactions energy: -1950.498
where: short stacking energy: -834.721
Base-Backbone interact. energy: -3.472
local terms energy: -849.173556
where:
bonds (distance) C4'-P energy: -154.377
bonds (distance) P-C4' energy: -150.603
flat angles C4'-P-C4' energy: -181.216
flat angles P-C4'-P energy: -110.661
tors. eta vs tors. theta energy: -252.317
Dist. restrs. and SS energy: 6.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2679.212793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.212793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.039664 (E_RNA)
where:
Base-Base interactions energy: -1882.949
where: short stacking energy: -804.986
Base-Backbone interact. energy: 2.405
local terms energy: -806.496494
where:
bonds (distance) C4'-P energy: -131.933
bonds (distance) P-C4' energy: -143.856
flat angles C4'-P-C4' energy: -172.382
flat angles P-C4'-P energy: -119.002
tors. eta vs tors. theta energy: -239.322
Dist. restrs. and SS energy: 7.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2570.787879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.787879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.170422 (E_RNA)
where:
Base-Base interactions energy: -1795.028
where: short stacking energy: -769.298
Base-Backbone interact. energy: -1.747
local terms energy: -784.395502
where:
bonds (distance) C4'-P energy: -124.776
bonds (distance) P-C4' energy: -144.770
flat angles C4'-P-C4' energy: -160.130
flat angles P-C4'-P energy: -119.117
tors. eta vs tors. theta energy: -235.602
Dist. restrs. and SS energy: 10.383 (S_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: 219
Temperature: 1.050000
Total energy: -2491.474438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.474438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.013148 (E_RNA)
where:
Base-Base interactions energy: -1739.209
where: short stacking energy: -738.632
Base-Backbone interact. energy: -4.109
local terms energy: -755.695570
where:
bonds (distance) C4'-P energy: -140.342
bonds (distance) P-C4' energy: -138.997
flat angles C4'-P-C4' energy: -160.586
flat angles P-C4'-P energy: -104.251
tors. eta vs tors. theta energy: -211.519
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2392.487037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.487037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.510101 (E_RNA)
where:
Base-Base interactions energy: -1680.184
where: short stacking energy: -702.367
Base-Backbone interact. energy: -3.227
local terms energy: -717.099300
where:
bonds (distance) C4'-P energy: -126.347
bonds (distance) P-C4' energy: -135.467
flat angles C4'-P-C4' energy: -157.017
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -211.908
Dist. restrs. and SS energy: 8.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2275.416103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.416103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.674787 (E_RNA)
where:
Base-Base interactions energy: -1609.940
where: short stacking energy: -675.770
Base-Backbone interact. energy: -4.334
local terms energy: -669.400609
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -115.847
flat angles C4'-P-C4' energy: -151.016
flat angles P-C4'-P energy: -90.983
tors. eta vs tors. theta energy: -196.834
Dist. restrs. and SS energy: 8.259 (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: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2234.174584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.174584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.757841 (E_RNA)
where:
Base-Base interactions energy: -1559.406
where: short stacking energy: -660.188
Base-Backbone interact. energy: -1.225
local terms energy: -685.126087
where:
bonds (distance) C4'-P energy: -107.276
bonds (distance) P-C4' energy: -134.518
flat angles C4'-P-C4' energy: -159.140
flat angles P-C4'-P energy: -94.483
tors. eta vs tors. theta energy: -189.710
Dist. restrs. and SS energy: 11.583 (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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2248.818388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.818388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.761311 (E_RNA)
where:
Base-Base interactions energy: -1603.220
where: short stacking energy: -651.635
Base-Backbone interact. energy: 1.745
local terms energy: -655.286310
where:
bonds (distance) C4'-P energy: -112.156
bonds (distance) P-C4' energy: -113.311
flat angles C4'-P-C4' energy: -136.445
flat angles P-C4'-P energy: -92.301
tors. eta vs tors. theta energy: -201.074
Dist. restrs. and SS energy: 7.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -2082.198414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.198414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.181739 (E_RNA)
where:
Base-Base interactions energy: -1478.687
where: short stacking energy: -607.059
Base-Backbone interact. energy: 2.519
local terms energy: -619.013759
where:
bonds (distance) C4'-P energy: -115.685
bonds (distance) P-C4' energy: -113.788
flat angles C4'-P-C4' energy: -141.396
flat angles P-C4'-P energy: -82.919
tors. eta vs tors. theta energy: -165.225
Dist. restrs. and SS energy: 12.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -2052.811184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.811184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.944765 (E_RNA)
where:
Base-Base interactions energy: -1452.359
where: short stacking energy: -602.134
Base-Backbone interact. energy: -0.268
local terms energy: -616.317825
where:
bonds (distance) C4'-P energy: -107.504
bonds (distance) P-C4' energy: -136.229
flat angles C4'-P-C4' energy: -138.550
flat angles P-C4'-P energy: -70.110
tors. eta vs tors. theta energy: -163.926
Dist. restrs. and SS energy: 16.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2776.468748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.468748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.444108 (E_RNA)
where:
Base-Base interactions energy: -1959.735
where: short stacking energy: -825.482
Base-Backbone interact. energy: -2.915
local terms energy: -816.793531
where:
bonds (distance) C4'-P energy: -143.021
bonds (distance) P-C4' energy: -134.623
flat angles C4'-P-C4' energy: -172.402
flat angles P-C4'-P energy: -122.059
tors. eta vs tors. theta energy: -244.689
Dist. restrs. and SS energy: 2.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2688.855881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.855881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.610089 (E_RNA)
where:
Base-Base interactions energy: -1903.257
where: short stacking energy: -806.613
Base-Backbone interact. energy: -3.625
local terms energy: -793.728717
where:
bonds (distance) C4'-P energy: -128.765
bonds (distance) P-C4' energy: -148.019
flat angles C4'-P-C4' energy: -159.061
flat angles P-C4'-P energy: -112.501
tors. eta vs tors. theta energy: -245.383
Dist. restrs. and SS energy: 11.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2563.631660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.631660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.275148 (E_RNA)
where:
Base-Base interactions energy: -1803.671
where: short stacking energy: -765.556
Base-Backbone interact. energy: -1.507
local terms energy: -767.097092
where:
bonds (distance) C4'-P energy: -135.395
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -163.577
flat angles P-C4'-P energy: -110.995
tors. eta vs tors. theta energy: -223.285
Dist. restrs. and SS energy: 8.643 (S_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: 220
Temperature: 1.050000
Total energy: -2496.334638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.334638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.707935 (E_RNA)
where:
Base-Base interactions energy: -1736.037
where: short stacking energy: -753.537
Base-Backbone interact. energy: 0.363
local terms energy: -767.034087
where:
bonds (distance) C4'-P energy: -131.230
bonds (distance) P-C4' energy: -148.448
flat angles C4'-P-C4' energy: -171.360
flat angles P-C4'-P energy: -91.051
tors. eta vs tors. theta energy: -224.945
Dist. restrs. and SS energy: 6.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2415.461806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.461806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.740246 (E_RNA)
where:
Base-Base interactions energy: -1678.037
where: short stacking energy: -729.540
Base-Backbone interact. energy: -5.245
local terms energy: -742.458768
where:
bonds (distance) C4'-P energy: -127.688
bonds (distance) P-C4' energy: -146.377
flat angles C4'-P-C4' energy: -149.087
flat angles P-C4'-P energy: -109.767
tors. eta vs tors. theta energy: -209.540
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: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2296.588436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.588436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.274584 (E_RNA)
where:
Base-Base interactions energy: -1646.725
where: short stacking energy: -690.337
Base-Backbone interact. energy: -0.946
local terms energy: -660.602826
where:
bonds (distance) C4'-P energy: -113.944
bonds (distance) P-C4' energy: -128.004
flat angles C4'-P-C4' energy: -137.087
flat angles P-C4'-P energy: -78.431
tors. eta vs tors. theta energy: -203.137
Dist. restrs. and SS energy: 11.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2233.430616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.430616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.910508 (E_RNA)
where:
Base-Base interactions energy: -1565.304
where: short stacking energy: -638.512
Base-Backbone interact. energy: 0.123
local terms energy: -673.729655
where:
bonds (distance) C4'-P energy: -118.308
bonds (distance) P-C4' energy: -128.281
flat angles C4'-P-C4' energy: -138.304
flat angles P-C4'-P energy: -88.675
tors. eta vs tors. theta energy: -200.161
Dist. restrs. and SS energy: 5.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2226.054964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.054964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.556471 (E_RNA)
where:
Base-Base interactions energy: -1558.528
where: short stacking energy: -645.423
Base-Backbone interact. energy: 4.352
local terms energy: -680.381276
where:
bonds (distance) C4'-P energy: -108.075
bonds (distance) P-C4' energy: -140.682
flat angles C4'-P-C4' energy: -141.158
flat angles P-C4'-P energy: -98.261
tors. eta vs tors. theta energy: -192.205
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: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -2016.865549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.865549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.026912 (E_RNA)
where:
Base-Base interactions energy: -1442.295
where: short stacking energy: -597.383
Base-Backbone interact. energy: 0.932
local terms energy: -589.664331
where:
bonds (distance) C4'-P energy: -108.714
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -134.278
flat angles P-C4'-P energy: -85.004
tors. eta vs tors. theta energy: -145.366
Dist. restrs. and SS energy: 14.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -2056.490069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.490069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.967071 (E_RNA)
where:
Base-Base interactions energy: -1476.990
where: short stacking energy: -627.853
Base-Backbone interact. energy: -0.959
local terms energy: -600.017652
where:
bonds (distance) C4'-P energy: -115.050
bonds (distance) P-C4' energy: -115.686
flat angles C4'-P-C4' energy: -131.106
flat angles P-C4'-P energy: -68.878
tors. eta vs tors. theta energy: -169.297
Dist. restrs. and SS energy: 21.477 (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: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2797.408788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.728292 (E_RNA)
where:
Base-Base interactions energy: -1932.857
where: short stacking energy: -829.664
Base-Backbone interact. energy: -0.359
local terms energy: -866.511334
where:
bonds (distance) C4'-P energy: -152.053
bonds (distance) P-C4' energy: -161.552
flat angles C4'-P-C4' energy: -175.859
flat angles P-C4'-P energy: -122.840
tors. eta vs tors. theta energy: -254.207
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2700.213104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.213104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.704360 (E_RNA)
where:
Base-Base interactions energy: -1896.731
where: short stacking energy: -839.740
Base-Backbone interact. energy: -4.577
local terms energy: -809.396426
where:
bonds (distance) C4'-P energy: -132.951
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -161.219
flat angles P-C4'-P energy: -126.032
tors. eta vs tors. theta energy: -250.445
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: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2627.466715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.466715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.839239 (E_RNA)
where:
Base-Base interactions energy: -1849.210
where: short stacking energy: -787.601
Base-Backbone interact. energy: -3.367
local terms energy: -782.262602
where:
bonds (distance) C4'-P energy: -140.158
bonds (distance) P-C4' energy: -129.432
flat angles C4'-P-C4' energy: -166.905
flat angles P-C4'-P energy: -114.861
tors. eta vs tors. theta energy: -230.908
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: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2472.938408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.938408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.687893 (E_RNA)
where:
Base-Base interactions energy: -1713.848
where: short stacking energy: -738.628
Base-Backbone interact. energy: -2.224
local terms energy: -768.615519
where:
bonds (distance) C4'-P energy: -158.017
bonds (distance) P-C4' energy: -129.925
flat angles C4'-P-C4' energy: -161.629
flat angles P-C4'-P energy: -104.230
tors. eta vs tors. theta energy: -214.815
Dist. restrs. and SS energy: 11.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2450.112411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.112411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.714143 (E_RNA)
where:
Base-Base interactions energy: -1711.027
where: short stacking energy: -727.762
Base-Backbone interact. energy: 3.477
local terms energy: -750.163649
where:
bonds (distance) C4'-P energy: -140.198
bonds (distance) P-C4' energy: -129.230
flat angles C4'-P-C4' energy: -164.329
flat angles P-C4'-P energy: -108.544
tors. eta vs tors. theta energy: -207.863
Dist. restrs. and SS energy: 7.602 (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: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2310.941449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.941449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.696560 (E_RNA)
where:
Base-Base interactions energy: -1609.316
where: short stacking energy: -674.347
Base-Backbone interact. energy: -2.272
local terms energy: -714.108119
where:
bonds (distance) C4'-P energy: -136.276
bonds (distance) P-C4' energy: -143.101
flat angles C4'-P-C4' energy: -141.760
flat angles P-C4'-P energy: -94.685
tors. eta vs tors. theta energy: -198.287
Dist. restrs. and SS energy: 14.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2201.284273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.284273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.528265 (E_RNA)
where:
Base-Base interactions energy: -1535.705
where: short stacking energy: -642.421
Base-Backbone interact. energy: -2.696
local terms energy: -672.127915
where:
bonds (distance) C4'-P energy: -104.672
bonds (distance) P-C4' energy: -122.517
flat angles C4'-P-C4' energy: -164.157
flat angles P-C4'-P energy: -97.310
tors. eta vs tors. theta energy: -183.473
Dist. restrs. and SS energy: 9.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2209.936708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.936708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.456858 (E_RNA)
where:
Base-Base interactions energy: -1574.733
where: short stacking energy: -667.224
Base-Backbone interact. energy: -3.158
local terms energy: -637.565137
where:
bonds (distance) C4'-P energy: -114.910
bonds (distance) P-C4' energy: -95.179
flat angles C4'-P-C4' energy: -137.413
flat angles P-C4'-P energy: -89.332
tors. eta vs tors. theta energy: -200.731
Dist. restrs. and SS energy: 5.520 (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: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -2046.971976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.971976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.597557 (E_RNA)
where:
Base-Base interactions energy: -1429.588
where: short stacking energy: -602.852
Base-Backbone interact. energy: 1.653
local terms energy: -630.661711
where:
bonds (distance) C4'-P energy: -98.342
bonds (distance) P-C4' energy: -131.874
flat angles C4'-P-C4' energy: -145.992
flat angles P-C4'-P energy: -87.556
tors. eta vs tors. theta energy: -166.897
Dist. restrs. and SS energy: 11.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -2030.169995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.169995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.386331 (E_RNA)
where:
Base-Base interactions energy: -1477.150
where: short stacking energy: -612.576
Base-Backbone interact. energy: 0.431
local terms energy: -571.667360
where:
bonds (distance) C4'-P energy: -85.732
bonds (distance) P-C4' energy: -108.083
flat angles C4'-P-C4' energy: -133.295
flat angles P-C4'-P energy: -81.195
tors. eta vs tors. theta energy: -163.363
Dist. restrs. and SS energy: 18.216 (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: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2785.024919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.024919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.248109 (E_RNA)
where:
Base-Base interactions energy: -1959.592
where: short stacking energy: -832.982
Base-Backbone interact. energy: 2.758
local terms energy: -832.414807
where:
bonds (distance) C4'-P energy: -111.278
bonds (distance) P-C4' energy: -160.391
flat angles C4'-P-C4' energy: -176.574
flat angles P-C4'-P energy: -132.020
tors. eta vs tors. theta energy: -252.151
Dist. restrs. and SS energy: 4.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2663.210658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.210658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.836383 (E_RNA)
where:
Base-Base interactions energy: -1875.965
where: short stacking energy: -804.783
Base-Backbone interact. energy: -4.552
local terms energy: -792.319141
where:
bonds (distance) C4'-P energy: -122.045
bonds (distance) P-C4' energy: -150.892
flat angles C4'-P-C4' energy: -162.254
flat angles P-C4'-P energy: -116.392
tors. eta vs tors. theta energy: -240.736
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: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2609.477300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.477300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.363836 (E_RNA)
where:
Base-Base interactions energy: -1843.570
where: short stacking energy: -774.920
Base-Backbone interact. energy: -5.202
local terms energy: -768.591233
where:
bonds (distance) C4'-P energy: -126.221
bonds (distance) P-C4' energy: -139.860
flat angles C4'-P-C4' energy: -159.425
flat angles P-C4'-P energy: -119.254
tors. eta vs tors. theta energy: -223.832
Dist. restrs. and SS energy: 7.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2503.922568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.922568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.314744 (E_RNA)
where:
Base-Base interactions energy: -1756.571
where: short stacking energy: -752.923
Base-Backbone interact. energy: 1.831
local terms energy: -758.574933
where:
bonds (distance) C4'-P energy: -113.680
bonds (distance) P-C4' energy: -143.172
flat angles C4'-P-C4' energy: -161.350
flat angles P-C4'-P energy: -104.592
tors. eta vs tors. theta energy: -235.781
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: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2483.901616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.901616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.263774 (E_RNA)
where:
Base-Base interactions energy: -1753.438
where: short stacking energy: -741.459
Base-Backbone interact. energy: -1.513
local terms energy: -736.312853
where:
bonds (distance) C4'-P energy: -137.150
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -152.545
flat angles P-C4'-P energy: -107.910
tors. eta vs tors. theta energy: -219.263
Dist. restrs. and SS energy: 7.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2325.987691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.987691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.469916 (E_RNA)
where:
Base-Base interactions energy: -1618.874
where: short stacking energy: -678.517
Base-Backbone interact. energy: -3.204
local terms energy: -718.392302
where:
bonds (distance) C4'-P energy: -122.576
bonds (distance) P-C4' energy: -142.768
flat angles C4'-P-C4' energy: -147.143
flat angles P-C4'-P energy: -90.807
tors. eta vs tors. theta energy: -215.099
Dist. restrs. and SS energy: 14.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2220.341718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.341718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.347856 (E_RNA)
where:
Base-Base interactions energy: -1558.470
where: short stacking energy: -671.094
Base-Backbone interact. energy: -1.496
local terms energy: -672.381927
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -130.259
flat angles C4'-P-C4' energy: -140.601
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -183.189
Dist. restrs. and SS energy: 12.006 (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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2154.679948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.679948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.184562 (E_RNA)
where:
Base-Base interactions energy: -1509.123
where: short stacking energy: -628.071
Base-Backbone interact. energy: -2.741
local terms energy: -656.320473
where:
bonds (distance) C4'-P energy: -145.263
bonds (distance) P-C4' energy: -108.063
flat angles C4'-P-C4' energy: -128.651
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -196.024
Dist. restrs. and SS energy: 13.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -2027.070215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.070215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.373506 (E_RNA)
where:
Base-Base interactions energy: -1447.581
where: short stacking energy: -579.046
Base-Backbone interact. energy: -1.037
local terms energy: -596.755162
where:
bonds (distance) C4'-P energy: -106.651
bonds (distance) P-C4' energy: -106.088
flat angles C4'-P-C4' energy: -138.040
flat angles P-C4'-P energy: -91.912
tors. eta vs tors. theta energy: -154.064
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: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -2002.493169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.493169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.623093 (E_RNA)
where:
Base-Base interactions energy: -1443.032
where: short stacking energy: -596.718
Base-Backbone interact. energy: 0.352
local terms energy: -568.942541
where:
bonds (distance) C4'-P energy: -86.917
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -64.343
tors. eta vs tors. theta energy: -148.098
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: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2800.506271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.506271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.617192 (E_RNA)
where:
Base-Base interactions energy: -1961.988
where: short stacking energy: -865.247
Base-Backbone interact. energy: 0.536
local terms energy: -844.165032
where:
bonds (distance) C4'-P energy: -135.305
bonds (distance) P-C4' energy: -146.156
flat angles C4'-P-C4' energy: -177.333
flat angles P-C4'-P energy: -120.488
tors. eta vs tors. theta energy: -264.882
Dist. restrs. and SS energy: 5.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2627.021740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.021740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.463858 (E_RNA)
where:
Base-Base interactions energy: -1853.810
where: short stacking energy: -751.446
Base-Backbone interact. energy: 0.543
local terms energy: -782.196909
where:
bonds (distance) C4'-P energy: -137.669
bonds (distance) P-C4' energy: -134.291
flat angles C4'-P-C4' energy: -172.036
flat angles P-C4'-P energy: -115.047
tors. eta vs tors. theta energy: -223.154
Dist. restrs. and SS energy: 8.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2626.202270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.202270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.767572 (E_RNA)
where:
Base-Base interactions energy: -1826.722
where: short stacking energy: -790.095
Base-Backbone interact. energy: -3.800
local terms energy: -804.245392
where:
bonds (distance) C4'-P energy: -121.840
bonds (distance) P-C4' energy: -152.491
flat angles C4'-P-C4' energy: -167.416
flat angles P-C4'-P energy: -121.869
tors. eta vs tors. theta energy: -240.630
Dist. restrs. and SS energy: 8.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2499.799477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.799477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.630186 (E_RNA)
where:
Base-Base interactions energy: -1733.386
where: short stacking energy: -752.436
Base-Backbone interact. energy: -1.940
local terms energy: -771.305035
where:
bonds (distance) C4'-P energy: -121.278
bonds (distance) P-C4' energy: -143.723
flat angles C4'-P-C4' energy: -159.548
flat angles P-C4'-P energy: -121.817
tors. eta vs tors. theta energy: -224.940
Dist. restrs. and SS energy: 6.831 (S_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: 223
Temperature: 1.100000
Total energy: -2448.365484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.365484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.106950 (E_RNA)
where:
Base-Base interactions energy: -1754.266
where: short stacking energy: -749.505
Base-Backbone interact. energy: 2.338
local terms energy: -705.179632
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -114.805
flat angles C4'-P-C4' energy: -158.689
flat angles P-C4'-P energy: -90.276
tors. eta vs tors. theta energy: -223.092
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2314.093802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.093802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.315724 (E_RNA)
where:
Base-Base interactions energy: -1648.247
where: short stacking energy: -701.021
Base-Backbone interact. energy: -3.304
local terms energy: -672.765011
where:
bonds (distance) C4'-P energy: -112.162
bonds (distance) P-C4' energy: -112.996
flat angles C4'-P-C4' energy: -147.317
flat angles P-C4'-P energy: -90.239
tors. eta vs tors. theta energy: -210.050
Dist. restrs. and SS energy: 10.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2263.757244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.757244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.685171 (E_RNA)
where:
Base-Base interactions energy: -1620.964
where: short stacking energy: -699.131
Base-Backbone interact. energy: -0.573
local terms energy: -646.148467
where:
bonds (distance) C4'-P energy: -98.664
bonds (distance) P-C4' energy: -119.429
flat angles C4'-P-C4' energy: -133.839
flat angles P-C4'-P energy: -97.117
tors. eta vs tors. theta energy: -197.099
Dist. restrs. and SS energy: 3.928 (S_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: 223
Temperature: 1.250000
Total energy: -2158.527560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.527560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.300984 (E_RNA)
where:
Base-Base interactions energy: -1532.454
where: short stacking energy: -642.216
Base-Backbone interact. energy: 1.679
local terms energy: -641.525732
where:
bonds (distance) C4'-P energy: -96.143
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -136.648
flat angles P-C4'-P energy: -88.391
tors. eta vs tors. theta energy: -194.244
Dist. restrs. and SS energy: 13.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -2019.122975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.122975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.158118 (E_RNA)
where:
Base-Base interactions energy: -1442.815
where: short stacking energy: -582.576
Base-Backbone interact. energy: 2.798
local terms energy: -590.141168
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -126.644
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -159.402
Dist. restrs. and SS energy: 11.035 (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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1964.765389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.765389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.029881 (E_RNA)
where:
Base-Base interactions energy: -1387.097
where: short stacking energy: -571.787
Base-Backbone interact. energy: -1.339
local terms energy: -585.593920
where:
bonds (distance) C4'-P energy: -115.655
bonds (distance) P-C4' energy: -119.339
flat angles C4'-P-C4' energy: -122.097
flat angles P-C4'-P energy: -65.174
tors. eta vs tors. theta energy: -163.328
Dist. restrs. and SS energy: 9.264 (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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2805.986707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.986707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.150246 (E_RNA)
where:
Base-Base interactions energy: -1967.635
where: short stacking energy: -837.400
Base-Backbone interact. energy: -2.991
local terms energy: -838.525117
where:
bonds (distance) C4'-P energy: -138.307
bonds (distance) P-C4' energy: -153.707
flat angles C4'-P-C4' energy: -176.973
flat angles P-C4'-P energy: -110.844
tors. eta vs tors. theta energy: -258.694
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2645.548488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.548488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.805789 (E_RNA)
where:
Base-Base interactions energy: -1829.086
where: short stacking energy: -779.845
Base-Backbone interact. energy: 1.759
local terms energy: -824.478210
where:
bonds (distance) C4'-P energy: -144.885
bonds (distance) P-C4' energy: -154.492
flat angles C4'-P-C4' energy: -177.348
flat angles P-C4'-P energy: -111.133
tors. eta vs tors. theta energy: -236.621
Dist. restrs. and SS energy: 6.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2666.697650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.697650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.384279 (E_RNA)
where:
Base-Base interactions energy: -1865.692
where: short stacking energy: -777.142
Base-Backbone interact. energy: -2.603
local terms energy: -806.089476
where:
bonds (distance) C4'-P energy: -139.859
bonds (distance) P-C4' energy: -139.839
flat angles C4'-P-C4' energy: -166.924
flat angles P-C4'-P energy: -120.470
tors. eta vs tors. theta energy: -238.997
Dist. restrs. and SS energy: 7.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2498.727204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.727204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.230821 (E_RNA)
where:
Base-Base interactions energy: -1744.326
where: short stacking energy: -725.508
Base-Backbone interact. energy: -1.188
local terms energy: -765.717108
where:
bonds (distance) C4'-P energy: -131.789
bonds (distance) P-C4' energy: -147.272
flat angles C4'-P-C4' energy: -153.664
flat angles P-C4'-P energy: -111.745
tors. eta vs tors. theta energy: -221.248
Dist. restrs. and SS energy: 12.504 (S_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: 224
Temperature: 1.100000
Total energy: -2464.242980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.242980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.235078 (E_RNA)
where:
Base-Base interactions energy: -1729.178
where: short stacking energy: -728.590
Base-Backbone interact. energy: -2.630
local terms energy: -743.427057
where:
bonds (distance) C4'-P energy: -127.236
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -107.970
tors. eta vs tors. theta energy: -215.873
Dist. restrs. and SS energy: 10.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2305.617608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.617608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.153590 (E_RNA)
where:
Base-Base interactions energy: -1593.971
where: short stacking energy: -666.729
Base-Backbone interact. energy: -3.557
local terms energy: -718.625332
where:
bonds (distance) C4'-P energy: -125.192
bonds (distance) P-C4' energy: -128.844
flat angles C4'-P-C4' energy: -155.727
flat angles P-C4'-P energy: -111.237
tors. eta vs tors. theta energy: -197.624
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: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2292.745638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.745638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.785575 (E_RNA)
where:
Base-Base interactions energy: -1613.546
where: short stacking energy: -670.791
Base-Backbone interact. energy: 2.106
local terms energy: -694.345337
where:
bonds (distance) C4'-P energy: -129.574
bonds (distance) P-C4' energy: -136.956
flat angles C4'-P-C4' energy: -145.477
flat angles P-C4'-P energy: -88.347
tors. eta vs tors. theta energy: -193.991
Dist. restrs. and SS energy: 13.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2143.582738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.582738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.337194 (E_RNA)
where:
Base-Base interactions energy: -1518.119
where: short stacking energy: -642.971
Base-Backbone interact. energy: -3.090
local terms energy: -636.127865
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -116.654
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -75.324
tors. eta vs tors. theta energy: -183.932
Dist. restrs. and SS energy: 13.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -2069.303047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.303047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.860647 (E_RNA)
where:
Base-Base interactions energy: -1465.863
where: short stacking energy: -625.698
Base-Backbone interact. energy: -0.059
local terms energy: -614.938714
where:
bonds (distance) C4'-P energy: -97.904
bonds (distance) P-C4' energy: -124.846
flat angles C4'-P-C4' energy: -136.471
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -168.341
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: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1995.887464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.887464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.847980 (E_RNA)
where:
Base-Base interactions energy: -1434.203
where: short stacking energy: -572.410
Base-Backbone interact. energy: 3.004
local terms energy: -587.649049
where:
bonds (distance) C4'-P energy: -107.786
bonds (distance) P-C4' energy: -111.502
flat angles C4'-P-C4' energy: -116.320
flat angles P-C4'-P energy: -93.618
tors. eta vs tors. theta energy: -158.424
Dist. restrs. and SS energy: 22.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2778.213859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.213859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.074778 (E_RNA)
where:
Base-Base interactions energy: -1955.823
where: short stacking energy: -825.233
Base-Backbone interact. energy: -2.802
local terms energy: -823.449473
where:
bonds (distance) C4'-P energy: -132.990
bonds (distance) P-C4' energy: -157.803
flat angles C4'-P-C4' energy: -166.480
flat angles P-C4'-P energy: -119.795
tors. eta vs tors. theta energy: -246.382
Dist. restrs. and SS energy: 3.861 (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: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2643.170250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.170250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.745850 (E_RNA)
where:
Base-Base interactions energy: -1872.115
where: short stacking energy: -785.813
Base-Backbone interact. energy: 0.285
local terms energy: -778.915668
where:
bonds (distance) C4'-P energy: -138.846
bonds (distance) P-C4' energy: -146.607
flat angles C4'-P-C4' energy: -151.580
flat angles P-C4'-P energy: -110.968
tors. eta vs tors. theta energy: -230.914
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2608.925788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.925788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.332748 (E_RNA)
where:
Base-Base interactions energy: -1816.123
where: short stacking energy: -777.282
Base-Backbone interact. energy: -2.599
local terms energy: -797.610083
where:
bonds (distance) C4'-P energy: -140.225
bonds (distance) P-C4' energy: -147.576
flat angles C4'-P-C4' energy: -161.067
flat angles P-C4'-P energy: -108.125
tors. eta vs tors. theta energy: -240.617
Dist. restrs. and SS energy: 7.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2524.093828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.093828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.563347 (E_RNA)
where:
Base-Base interactions energy: -1760.732
where: short stacking energy: -729.047
Base-Backbone interact. energy: -2.632
local terms energy: -768.198836
where:
bonds (distance) C4'-P energy: -140.680
bonds (distance) P-C4' energy: -152.142
flat angles C4'-P-C4' energy: -158.284
flat angles P-C4'-P energy: -110.710
tors. eta vs tors. theta energy: -206.383
Dist. restrs. and SS energy: 7.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2440.372492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.372492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.255504 (E_RNA)
where:
Base-Base interactions energy: -1716.946
where: short stacking energy: -720.890
Base-Backbone interact. energy: -4.085
local terms energy: -726.225189
where:
bonds (distance) C4'-P energy: -127.992
bonds (distance) P-C4' energy: -127.617
flat angles C4'-P-C4' energy: -162.872
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -212.759
Dist. restrs. and SS energy: 6.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2311.424736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.424736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.807909 (E_RNA)
where:
Base-Base interactions energy: -1614.188
where: short stacking energy: -678.821
Base-Backbone interact. energy: -1.893
local terms energy: -703.727428
where:
bonds (distance) C4'-P energy: -123.706
bonds (distance) P-C4' energy: -127.076
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -93.759
tors. eta vs tors. theta energy: -206.522
Dist. restrs. and SS energy: 8.383 (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: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2266.245873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.245873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.941098 (E_RNA)
where:
Base-Base interactions energy: -1587.671
where: short stacking energy: -672.915
Base-Backbone interact. energy: 4.281
local terms energy: -696.551035
where:
bonds (distance) C4'-P energy: -126.839
bonds (distance) P-C4' energy: -131.721
flat angles C4'-P-C4' energy: -142.943
flat angles P-C4'-P energy: -95.885
tors. eta vs tors. theta energy: -199.163
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: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2172.946697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.946697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.134350 (E_RNA)
where:
Base-Base interactions energy: -1525.930
where: short stacking energy: -633.669
Base-Backbone interact. energy: -3.299
local terms energy: -654.905241
where:
bonds (distance) C4'-P energy: -101.728
bonds (distance) P-C4' energy: -126.253
flat angles C4'-P-C4' energy: -135.544
flat angles P-C4'-P energy: -98.360
tors. eta vs tors. theta energy: -193.021
Dist. restrs. and SS energy: 11.188 (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: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -2063.055989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.055989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.182565 (E_RNA)
where:
Base-Base interactions energy: -1467.506
where: short stacking energy: -604.473
Base-Backbone interact. energy: -0.255
local terms energy: -602.421927
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -108.893
flat angles C4'-P-C4' energy: -141.036
flat angles P-C4'-P energy: -78.940
tors. eta vs tors. theta energy: -161.599
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: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1957.421794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.421794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.328983 (E_RNA)
where:
Base-Base interactions energy: -1387.703
where: short stacking energy: -558.546
Base-Backbone interact. energy: 6.006
local terms energy: -590.632004
where:
bonds (distance) C4'-P energy: -97.823
bonds (distance) P-C4' energy: -129.472
flat angles C4'-P-C4' energy: -140.115
flat angles P-C4'-P energy: -68.207
tors. eta vs tors. theta energy: -155.015
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: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2793.978536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.978536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.024817 (E_RNA)
where:
Base-Base interactions energy: -1974.503
where: short stacking energy: -850.675
Base-Backbone interact. energy: 0.842
local terms energy: -823.363921
where:
bonds (distance) C4'-P energy: -134.324
bonds (distance) P-C4' energy: -152.658
flat angles C4'-P-C4' energy: -168.087
flat angles P-C4'-P energy: -107.107
tors. eta vs tors. theta energy: -261.188
Dist. restrs. and SS energy: 3.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2638.093893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.093893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.414424 (E_RNA)
where:
Base-Base interactions energy: -1844.516
where: short stacking energy: -768.016
Base-Backbone interact. energy: -6.887
local terms energy: -796.011454
where:
bonds (distance) C4'-P energy: -140.217
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -174.973
flat angles P-C4'-P energy: -115.018
tors. eta vs tors. theta energy: -226.383
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: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2600.361934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.361934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.522694 (E_RNA)
where:
Base-Base interactions energy: -1802.078
where: short stacking energy: -767.468
Base-Backbone interact. energy: -3.497
local terms energy: -800.948170
where:
bonds (distance) C4'-P energy: -136.275
bonds (distance) P-C4' energy: -140.895
flat angles C4'-P-C4' energy: -165.060
flat angles P-C4'-P energy: -118.295
tors. eta vs tors. theta energy: -240.424
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2482.360226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.360226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.258410 (E_RNA)
where:
Base-Base interactions energy: -1735.688
where: short stacking energy: -733.683
Base-Backbone interact. energy: 5.259
local terms energy: -759.829556
where:
bonds (distance) C4'-P energy: -133.779
bonds (distance) P-C4' energy: -125.090
flat angles C4'-P-C4' energy: -159.296
flat angles P-C4'-P energy: -113.998
tors. eta vs tors. theta energy: -227.666
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: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2454.836220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.836220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.846623 (E_RNA)
where:
Base-Base interactions energy: -1724.727
where: short stacking energy: -741.347
Base-Backbone interact. energy: -2.642
local terms energy: -734.477563
where:
bonds (distance) C4'-P energy: -127.123
bonds (distance) P-C4' energy: -130.714
flat angles C4'-P-C4' energy: -163.346
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -216.274
Dist. restrs. and SS energy: 7.010 (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: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2284.036599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.036599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.277628 (E_RNA)
where:
Base-Base interactions energy: -1603.015
where: short stacking energy: -660.924
Base-Backbone interact. energy: -2.407
local terms energy: -693.856231
where:
bonds (distance) C4'-P energy: -126.040
bonds (distance) P-C4' energy: -125.519
flat angles C4'-P-C4' energy: -140.025
flat angles P-C4'-P energy: -102.317
tors. eta vs tors. theta energy: -199.956
Dist. restrs. and SS energy: 15.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2290.630512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.630512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.496244 (E_RNA)
where:
Base-Base interactions energy: -1617.232
where: short stacking energy: -678.349
Base-Backbone interact. energy: -2.112
local terms energy: -680.152241
where:
bonds (distance) C4'-P energy: -112.152
bonds (distance) P-C4' energy: -120.375
flat angles C4'-P-C4' energy: -148.741
flat angles P-C4'-P energy: -96.996
tors. eta vs tors. theta energy: -201.888
Dist. restrs. and SS energy: 8.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2170.696273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.696273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.357222 (E_RNA)
where:
Base-Base interactions energy: -1570.184
where: short stacking energy: -633.710
Base-Backbone interact. energy: 3.267
local terms energy: -631.440509
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -114.260
flat angles C4'-P-C4' energy: -142.006
flat angles P-C4'-P energy: -87.267
tors. eta vs tors. theta energy: -172.512
Dist. restrs. and SS energy: 27.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -2085.546439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.546439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.377500 (E_RNA)
where:
Base-Base interactions energy: -1491.716
where: short stacking energy: -605.795
Base-Backbone interact. energy: -0.984
local terms energy: -613.677646
where:
bonds (distance) C4'-P energy: -121.527
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -143.117
flat angles P-C4'-P energy: -82.104
tors. eta vs tors. theta energy: -154.711
Dist. restrs. and SS energy: 20.831 (S_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: 226
Temperature: 1.350000
Total energy: -1943.499016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.936922 (E_RNA)
where:
Base-Base interactions energy: -1389.474
where: short stacking energy: -566.761
Base-Backbone interact. energy: 2.849
local terms energy: -571.311666
where:
bonds (distance) C4'-P energy: -119.910
bonds (distance) P-C4' energy: -119.243
flat angles C4'-P-C4' energy: -120.493
flat angles P-C4'-P energy: -73.875
tors. eta vs tors. theta energy: -137.791
Dist. restrs. and SS energy: 14.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2785.408402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.408402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.314397 (E_RNA)
where:
Base-Base interactions energy: -1974.935
where: short stacking energy: -833.947
Base-Backbone interact. energy: 3.322
local terms energy: -817.701246
where:
bonds (distance) C4'-P energy: -131.485
bonds (distance) P-C4' energy: -149.048
flat angles C4'-P-C4' energy: -173.653
flat angles P-C4'-P energy: -115.998
tors. eta vs tors. theta energy: -247.516
Dist. restrs. and SS energy: 3.906 (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: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2673.407712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.407712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.601182 (E_RNA)
where:
Base-Base interactions energy: -1880.882
where: short stacking energy: -762.024
Base-Backbone interact. energy: -1.846
local terms energy: -799.872774
where:
bonds (distance) C4'-P energy: -136.453
bonds (distance) P-C4' energy: -145.876
flat angles C4'-P-C4' energy: -171.149
flat angles P-C4'-P energy: -117.123
tors. eta vs tors. theta energy: -229.272
Dist. restrs. and SS energy: 9.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2605.725348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.725348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.950749 (E_RNA)
where:
Base-Base interactions energy: -1837.052
where: short stacking energy: -768.319
Base-Backbone interact. energy: -0.724
local terms energy: -778.174648
where:
bonds (distance) C4'-P energy: -128.486
bonds (distance) P-C4' energy: -152.204
flat angles C4'-P-C4' energy: -161.703
flat angles P-C4'-P energy: -103.054
tors. eta vs tors. theta energy: -232.727
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: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2522.781308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.781308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.579186 (E_RNA)
where:
Base-Base interactions energy: -1790.605
where: short stacking energy: -727.870
Base-Backbone interact. energy: -1.132
local terms energy: -738.841355
where:
bonds (distance) C4'-P energy: -149.517
bonds (distance) P-C4' energy: -124.074
flat angles C4'-P-C4' energy: -157.568
flat angles P-C4'-P energy: -83.200
tors. eta vs tors. theta energy: -224.482
Dist. restrs. and SS energy: 7.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2395.770415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.165950 (E_RNA)
where:
Base-Base interactions energy: -1671.351
where: short stacking energy: -702.662
Base-Backbone interact. energy: -1.470
local terms energy: -731.344458
where:
bonds (distance) C4'-P energy: -131.402
bonds (distance) P-C4' energy: -137.266
flat angles C4'-P-C4' energy: -160.162
flat angles P-C4'-P energy: -92.898
tors. eta vs tors. theta energy: -209.617
Dist. restrs. and SS energy: 8.396 (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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2287.036492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.036492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.941081 (E_RNA)
where:
Base-Base interactions energy: -1617.702
where: short stacking energy: -685.231
Base-Backbone interact. energy: 1.137
local terms energy: -680.376550
where:
bonds (distance) C4'-P energy: -110.040
bonds (distance) P-C4' energy: -129.375
flat angles C4'-P-C4' energy: -137.182
flat angles P-C4'-P energy: -99.732
tors. eta vs tors. theta energy: -204.047
Dist. restrs. and SS energy: 9.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2214.348985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.348985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.394444 (E_RNA)
where:
Base-Base interactions energy: -1578.626
where: short stacking energy: -635.669
Base-Backbone interact. energy: -3.042
local terms energy: -643.726458
where:
bonds (distance) C4'-P energy: -116.129
bonds (distance) P-C4' energy: -105.053
flat angles C4'-P-C4' energy: -138.520
flat angles P-C4'-P energy: -86.863
tors. eta vs tors. theta energy: -197.161
Dist. restrs. and SS energy: 11.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2151.408451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.408451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.763650 (E_RNA)
where:
Base-Base interactions energy: -1526.116
where: short stacking energy: -652.451
Base-Backbone interact. energy: -1.816
local terms energy: -636.831848
where:
bonds (distance) C4'-P energy: -120.726
bonds (distance) P-C4' energy: -101.165
flat angles C4'-P-C4' energy: -139.374
flat angles P-C4'-P energy: -81.236
tors. eta vs tors. theta energy: -194.332
Dist. restrs. and SS energy: 13.355 (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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -2096.755321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.755321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.614042 (E_RNA)
where:
Base-Base interactions energy: -1503.496
where: short stacking energy: -612.714
Base-Backbone interact. energy: -2.382
local terms energy: -596.735540
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -109.513
flat angles C4'-P-C4' energy: -132.341
flat angles P-C4'-P energy: -102.561
tors. eta vs tors. theta energy: -157.743
Dist. restrs. and SS energy: 5.859 (S_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: 227
Temperature: 1.350000
Total energy: -1983.443897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.443897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.877257 (E_RNA)
where:
Base-Base interactions energy: -1418.039
where: short stacking energy: -582.449
Base-Backbone interact. energy: -0.351
local terms energy: -576.486567
where:
bonds (distance) C4'-P energy: -108.834
bonds (distance) P-C4' energy: -109.707
flat angles C4'-P-C4' energy: -111.330
flat angles P-C4'-P energy: -71.003
tors. eta vs tors. theta energy: -175.613
Dist. restrs. and SS energy: 11.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2769.389743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.389743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.816265 (E_RNA)
where:
Base-Base interactions energy: -1938.432
where: short stacking energy: -819.563
Base-Backbone interact. energy: -2.126
local terms energy: -832.258337
where:
bonds (distance) C4'-P energy: -141.088
bonds (distance) P-C4' energy: -145.785
flat angles C4'-P-C4' energy: -175.030
flat angles P-C4'-P energy: -123.301
tors. eta vs tors. theta energy: -247.054
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: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2690.327021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.327021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.486668 (E_RNA)
where:
Base-Base interactions energy: -1880.091
where: short stacking energy: -802.204
Base-Backbone interact. energy: -1.274
local terms energy: -816.121393
where:
bonds (distance) C4'-P energy: -138.315
bonds (distance) P-C4' energy: -143.848
flat angles C4'-P-C4' energy: -173.927
flat angles P-C4'-P energy: -124.028
tors. eta vs tors. theta energy: -236.003
Dist. restrs. and SS energy: 7.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2596.665916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.665916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.944474 (E_RNA)
where:
Base-Base interactions energy: -1811.398
where: short stacking energy: -787.455
Base-Backbone interact. energy: -4.928
local terms energy: -790.617628
where:
bonds (distance) C4'-P energy: -130.846
bonds (distance) P-C4' energy: -154.333
flat angles C4'-P-C4' energy: -154.578
flat angles P-C4'-P energy: -118.134
tors. eta vs tors. theta energy: -232.727
Dist. restrs. and SS energy: 10.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2519.602202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.602202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.933371 (E_RNA)
where:
Base-Base interactions energy: -1807.093
where: short stacking energy: -750.042
Base-Backbone interact. energy: 0.176
local terms energy: -722.016438
where:
bonds (distance) C4'-P energy: -138.633
bonds (distance) P-C4' energy: -109.562
flat angles C4'-P-C4' energy: -153.604
flat angles P-C4'-P energy: -91.288
tors. eta vs tors. theta energy: -228.929
Dist. restrs. and SS energy: 9.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2458.930590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.930590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.656715 (E_RNA)
where:
Base-Base interactions energy: -1738.032
where: short stacking energy: -747.111
Base-Backbone interact. energy: -2.549
local terms energy: -725.075744
where:
bonds (distance) C4'-P energy: -112.795
bonds (distance) P-C4' energy: -130.736
flat angles C4'-P-C4' energy: -154.839
flat angles P-C4'-P energy: -105.176
tors. eta vs tors. theta energy: -221.529
Dist. restrs. and SS energy: 6.726 (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: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2300.663901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.663901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.263414 (E_RNA)
where:
Base-Base interactions energy: -1612.846
where: short stacking energy: -685.363
Base-Backbone interact. energy: -2.565
local terms energy: -694.852757
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -139.681
flat angles C4'-P-C4' energy: -145.112
flat angles P-C4'-P energy: -111.282
tors. eta vs tors. theta energy: -204.261
Dist. restrs. and SS energy: 9.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2260.830511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.830511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.363937 (E_RNA)
where:
Base-Base interactions energy: -1592.533
where: short stacking energy: -682.163
Base-Backbone interact. energy: -4.047
local terms energy: -676.783642
where:
bonds (distance) C4'-P energy: -114.738
bonds (distance) P-C4' energy: -116.666
flat angles C4'-P-C4' energy: -153.401
flat angles P-C4'-P energy: -91.080
tors. eta vs tors. theta energy: -200.899
Dist. restrs. and SS energy: 12.533 (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: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2187.990813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.990813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.494220 (E_RNA)
where:
Base-Base interactions energy: -1520.690
where: short stacking energy: -624.590
Base-Backbone interact. energy: -1.502
local terms energy: -679.302244
where:
bonds (distance) C4'-P energy: -127.051
bonds (distance) P-C4' energy: -118.927
flat angles C4'-P-C4' energy: -146.175
flat angles P-C4'-P energy: -87.744
tors. eta vs tors. theta energy: -199.405
Dist. restrs. and SS energy: 13.503 (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: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -2065.365705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.365705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.529970 (E_RNA)
where:
Base-Base interactions energy: -1456.626
where: short stacking energy: -599.109
Base-Backbone interact. energy: -0.093
local terms energy: -615.811161
where:
bonds (distance) C4'-P energy: -117.192
bonds (distance) P-C4' energy: -125.377
flat angles C4'-P-C4' energy: -123.164
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -172.171
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: 10, replica: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -2020.791877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.791877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.902210 (E_RNA)
where:
Base-Base interactions energy: -1452.795
where: short stacking energy: -604.994
Base-Backbone interact. energy: -1.891
local terms energy: -574.215283
where:
bonds (distance) C4'-P energy: -110.239
bonds (distance) P-C4' energy: -97.633
flat angles C4'-P-C4' energy: -119.665
flat angles P-C4'-P energy: -90.849
tors. eta vs tors. theta energy: -155.830
Dist. restrs. and SS energy: 8.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2791.061130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.061130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.973737 (E_RNA)
where:
Base-Base interactions energy: -1963.825
where: short stacking energy: -826.562
Base-Backbone interact. energy: -2.638
local terms energy: -828.510562
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -153.120
flat angles C4'-P-C4' energy: -176.735
flat angles P-C4'-P energy: -123.925
tors. eta vs tors. theta energy: -248.390
Dist. restrs. and SS energy: 3.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2671.412550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.412550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.097662 (E_RNA)
where:
Base-Base interactions energy: -1860.576
where: short stacking energy: -800.226
Base-Backbone interact. energy: -4.003
local terms energy: -814.519037
where:
bonds (distance) C4'-P energy: -133.549
bonds (distance) P-C4' energy: -153.785
flat angles C4'-P-C4' energy: -169.278
flat angles P-C4'-P energy: -122.327
tors. eta vs tors. theta energy: -235.580
Dist. restrs. and SS energy: 7.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2603.416819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.416819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.897063 (E_RNA)
where:
Base-Base interactions energy: -1828.238
where: short stacking energy: -740.284
Base-Backbone interact. energy: -2.622
local terms energy: -783.037568
where:
bonds (distance) C4'-P energy: -151.645
bonds (distance) P-C4' energy: -133.962
flat angles C4'-P-C4' energy: -165.021
flat angles P-C4'-P energy: -111.406
tors. eta vs tors. theta energy: -221.003
Dist. restrs. and SS energy: 10.480 (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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2516.933764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.933764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.906929 (E_RNA)
where:
Base-Base interactions energy: -1772.509
where: short stacking energy: -727.899
Base-Backbone interact. energy: -5.187
local terms energy: -747.210159
where:
bonds (distance) C4'-P energy: -122.945
bonds (distance) P-C4' energy: -140.649
flat angles C4'-P-C4' energy: -161.286
flat angles P-C4'-P energy: -105.340
tors. eta vs tors. theta energy: -216.991
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: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2428.410892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.218563 (E_RNA)
where:
Base-Base interactions energy: -1722.992
where: short stacking energy: -724.606
Base-Backbone interact. energy: -3.013
local terms energy: -717.213707
where:
bonds (distance) C4'-P energy: -117.602
bonds (distance) P-C4' energy: -131.387
flat angles C4'-P-C4' energy: -157.147
flat angles P-C4'-P energy: -97.000
tors. eta vs tors. theta energy: -214.078
Dist. restrs. and SS energy: 14.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2310.425105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.425105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.154812 (E_RNA)
where:
Base-Base interactions energy: -1617.696
where: short stacking energy: -667.292
Base-Backbone interact. energy: -2.986
local terms energy: -700.472839
where:
bonds (distance) C4'-P energy: -141.788
bonds (distance) P-C4' energy: -131.723
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -102.440
tors. eta vs tors. theta energy: -178.162
Dist. restrs. and SS energy: 10.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2230.565982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.565982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.785717 (E_RNA)
where:
Base-Base interactions energy: -1584.943
where: short stacking energy: -672.495
Base-Backbone interact. energy: 1.140
local terms energy: -657.982770
where:
bonds (distance) C4'-P energy: -105.020
bonds (distance) P-C4' energy: -106.662
flat angles C4'-P-C4' energy: -146.203
flat angles P-C4'-P energy: -101.385
tors. eta vs tors. theta energy: -198.713
Dist. restrs. and SS energy: 11.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2174.851436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.851436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.264289 (E_RNA)
where:
Base-Base interactions energy: -1523.378
where: short stacking energy: -646.783
Base-Backbone interact. energy: -3.887
local terms energy: -659.999644
where:
bonds (distance) C4'-P energy: -106.697
bonds (distance) P-C4' energy: -116.943
flat angles C4'-P-C4' energy: -153.432
flat angles P-C4'-P energy: -91.743
tors. eta vs tors. theta energy: -191.186
Dist. restrs. and SS energy: 12.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -2077.856339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.724796 (E_RNA)
where:
Base-Base interactions energy: -1484.624
where: short stacking energy: -628.648
Base-Backbone interact. energy: 1.079
local terms energy: -613.179201
where:
bonds (distance) C4'-P energy: -122.515
bonds (distance) P-C4' energy: -120.064
flat angles C4'-P-C4' energy: -145.404
flat angles P-C4'-P energy: -53.826
tors. eta vs tors. theta energy: -171.370
Dist. restrs. and SS energy: 18.868 (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: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1986.104977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.104977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.322215 (E_RNA)
where:
Base-Base interactions energy: -1386.217
where: short stacking energy: -565.597
Base-Backbone interact. energy: 2.252
local terms energy: -619.357892
where:
bonds (distance) C4'-P energy: -117.278
bonds (distance) P-C4' energy: -126.490
flat angles C4'-P-C4' energy: -132.954
flat angles P-C4'-P energy: -78.059
tors. eta vs tors. theta energy: -164.577
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: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2814.180278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.180278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.815757 (E_RNA)
where:
Base-Base interactions energy: -1973.070
where: short stacking energy: -841.972
Base-Backbone interact. energy: 0.959
local terms energy: -844.704811
where:
bonds (distance) C4'-P energy: -149.917
bonds (distance) P-C4' energy: -147.827
flat angles C4'-P-C4' energy: -168.467
flat angles P-C4'-P energy: -122.773
tors. eta vs tors. theta energy: -255.721
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: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2677.149429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.149429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.947186 (E_RNA)
where:
Base-Base interactions energy: -1871.749
where: short stacking energy: -776.980
Base-Backbone interact. energy: -3.060
local terms energy: -809.138204
where:
bonds (distance) C4'-P energy: -137.801
bonds (distance) P-C4' energy: -146.138
flat angles C4'-P-C4' energy: -175.407
flat angles P-C4'-P energy: -115.876
tors. eta vs tors. theta energy: -233.917
Dist. restrs. and SS energy: 6.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2621.521129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.521129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.643495 (E_RNA)
where:
Base-Base interactions energy: -1873.292
where: short stacking energy: -778.383
Base-Backbone interact. energy: -1.543
local terms energy: -757.809314
where:
bonds (distance) C4'-P energy: -126.956
bonds (distance) P-C4' energy: -145.009
flat angles C4'-P-C4' energy: -161.098
flat angles P-C4'-P energy: -90.725
tors. eta vs tors. theta energy: -234.022
Dist. restrs. and SS energy: 11.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2495.052283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.052283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.103431 (E_RNA)
where:
Base-Base interactions energy: -1739.541
where: short stacking energy: -729.884
Base-Backbone interact. energy: -1.771
local terms energy: -761.791200
where:
bonds (distance) C4'-P energy: -137.400
bonds (distance) P-C4' energy: -142.615
flat angles C4'-P-C4' energy: -162.361
flat angles P-C4'-P energy: -93.875
tors. eta vs tors. theta energy: -225.540
Dist. restrs. and SS energy: 8.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2431.460474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.460474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.447155 (E_RNA)
where:
Base-Base interactions energy: -1724.892
where: short stacking energy: -718.474
Base-Backbone interact. energy: -1.542
local terms energy: -717.013094
where:
bonds (distance) C4'-P energy: -118.339
bonds (distance) P-C4' energy: -119.504
flat angles C4'-P-C4' energy: -155.081
flat angles P-C4'-P energy: -111.873
tors. eta vs tors. theta energy: -212.215
Dist. restrs. and SS energy: 11.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2316.345858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.345858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.603361 (E_RNA)
where:
Base-Base interactions energy: -1624.539
where: short stacking energy: -683.967
Base-Backbone interact. energy: -1.743
local terms energy: -699.320733
where:
bonds (distance) C4'-P energy: -110.612
bonds (distance) P-C4' energy: -138.397
flat angles C4'-P-C4' energy: -145.174
flat angles P-C4'-P energy: -96.870
tors. eta vs tors. theta energy: -208.267
Dist. restrs. and SS energy: 9.258 (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: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2253.779380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.779380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.338254 (E_RNA)
where:
Base-Base interactions energy: -1587.277
where: short stacking energy: -646.534
Base-Backbone interact. energy: 4.640
local terms energy: -680.700747
where:
bonds (distance) C4'-P energy: -104.062
bonds (distance) P-C4' energy: -129.364
flat angles C4'-P-C4' energy: -139.343
flat angles P-C4'-P energy: -96.431
tors. eta vs tors. theta energy: -211.500
Dist. restrs. and SS energy: 9.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2189.833813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.833813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.962492 (E_RNA)
where:
Base-Base interactions energy: -1550.570
where: short stacking energy: -637.553
Base-Backbone interact. energy: -0.218
local terms energy: -648.174531
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -115.032
flat angles C4'-P-C4' energy: -146.547
flat angles P-C4'-P energy: -86.924
tors. eta vs tors. theta energy: -176.094
Dist. restrs. and SS energy: 9.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -2104.934237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.934237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.937994 (E_RNA)
where:
Base-Base interactions energy: -1506.418
where: short stacking energy: -606.243
Base-Backbone interact. energy: -3.166
local terms energy: -609.353722
where:
bonds (distance) C4'-P energy: -101.314
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -125.295
flat angles P-C4'-P energy: -66.082
tors. eta vs tors. theta energy: -178.914
Dist. restrs. and SS energy: 14.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -2026.729703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.729703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.356497 (E_RNA)
where:
Base-Base interactions energy: -1465.229
where: short stacking energy: -610.509
Base-Backbone interact. energy: -1.795
local terms energy: -571.332976
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -97.660
flat angles C4'-P-C4' energy: -133.803
flat angles P-C4'-P energy: -70.586
tors. eta vs tors. theta energy: -165.696
Dist. restrs. and SS energy: 11.627 (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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2797.243472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.243472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.133518 (E_RNA)
where:
Base-Base interactions energy: -1967.727
where: short stacking energy: -848.043
Base-Backbone interact. energy: -3.421
local terms energy: -828.985823
where:
bonds (distance) C4'-P energy: -146.740
bonds (distance) P-C4' energy: -141.727
flat angles C4'-P-C4' energy: -175.460
flat angles P-C4'-P energy: -114.411
tors. eta vs tors. theta energy: -250.647
Dist. restrs. and SS energy: 2.890 (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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2659.370305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.370305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.956369 (E_RNA)
where:
Base-Base interactions energy: -1862.547
where: short stacking energy: -771.487
Base-Backbone interact. energy: -2.880
local terms energy: -801.529227
where:
bonds (distance) C4'-P energy: -137.241
bonds (distance) P-C4' energy: -143.494
flat angles C4'-P-C4' energy: -174.357
flat angles P-C4'-P energy: -120.506
tors. eta vs tors. theta energy: -225.932
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: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2643.339386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.192050 (E_RNA)
where:
Base-Base interactions energy: -1846.827
where: short stacking energy: -785.168
Base-Backbone interact. energy: -4.489
local terms energy: -800.875249
where:
bonds (distance) C4'-P energy: -141.549
bonds (distance) P-C4' energy: -145.336
flat angles C4'-P-C4' energy: -168.550
flat angles P-C4'-P energy: -106.462
tors. eta vs tors. theta energy: -238.978
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2487.219281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.219281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.673235 (E_RNA)
where:
Base-Base interactions energy: -1756.226
where: short stacking energy: -733.512
Base-Backbone interact. energy: -4.161
local terms energy: -734.286997
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -127.027
flat angles C4'-P-C4' energy: -156.380
flat angles P-C4'-P energy: -107.187
tors. eta vs tors. theta energy: -221.521
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2451.755167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.755167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.777710 (E_RNA)
where:
Base-Base interactions energy: -1761.454
where: short stacking energy: -761.666
Base-Backbone interact. energy: -3.180
local terms energy: -697.144269
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -132.079
flat angles C4'-P-C4' energy: -150.674
flat angles P-C4'-P energy: -84.123
tors. eta vs tors. theta energy: -218.298
Dist. restrs. and SS energy: 10.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2334.713714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.713714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.821166 (E_RNA)
where:
Base-Base interactions energy: -1621.883
where: short stacking energy: -698.743
Base-Backbone interact. energy: -3.185
local terms energy: -716.753785
where:
bonds (distance) C4'-P energy: -130.874
bonds (distance) P-C4' energy: -125.012
flat angles C4'-P-C4' energy: -160.326
flat angles P-C4'-P energy: -101.921
tors. eta vs tors. theta energy: -198.622
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: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2319.179214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.179214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.506240 (E_RNA)
where:
Base-Base interactions energy: -1628.004
where: short stacking energy: -674.905
Base-Backbone interact. energy: -2.514
local terms energy: -697.988085
where:
bonds (distance) C4'-P energy: -121.292
bonds (distance) P-C4' energy: -132.196
flat angles C4'-P-C4' energy: -142.123
flat angles P-C4'-P energy: -100.356
tors. eta vs tors. theta energy: -202.021
Dist. restrs. and SS energy: 9.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2244.379690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.379690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.672876 (E_RNA)
where:
Base-Base interactions energy: -1614.840
where: short stacking energy: -660.695
Base-Backbone interact. energy: -0.452
local terms energy: -635.381061
where:
bonds (distance) C4'-P energy: -96.125
bonds (distance) P-C4' energy: -119.021
flat angles C4'-P-C4' energy: -143.882
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -195.298
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: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -2085.894735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.894735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.479493 (E_RNA)
where:
Base-Base interactions energy: -1525.529
where: short stacking energy: -618.759
Base-Backbone interact. energy: 0.337
local terms energy: -570.287392
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -90.371
flat angles C4'-P-C4' energy: -109.848
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -173.475
Dist. restrs. and SS energy: 9.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1974.445502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.445502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.338851 (E_RNA)
where:
Base-Base interactions energy: -1408.648
where: short stacking energy: -563.625
Base-Backbone interact. energy: -4.555
local terms energy: -575.136169
where:
bonds (distance) C4'-P energy: -106.810
bonds (distance) P-C4' energy: -109.164
flat angles C4'-P-C4' energy: -116.350
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -156.471
Dist. restrs. and SS energy: 13.893 (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: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2796.539849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.539849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.785644 (E_RNA)
where:
Base-Base interactions energy: -1954.265
where: short stacking energy: -829.230
Base-Backbone interact. energy: -2.728
local terms energy: -840.793204
where:
bonds (distance) C4'-P energy: -140.562
bonds (distance) P-C4' energy: -149.854
flat angles C4'-P-C4' energy: -171.927
flat angles P-C4'-P energy: -123.269
tors. eta vs tors. theta energy: -255.182
Dist. restrs. and SS energy: 1.246 (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: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2626.115254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.115254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.601167 (E_RNA)
where:
Base-Base interactions energy: -1859.410
where: short stacking energy: -747.878
Base-Backbone interact. energy: -2.819
local terms energy: -768.372514
where:
bonds (distance) C4'-P energy: -129.270
bonds (distance) P-C4' energy: -145.418
flat angles C4'-P-C4' energy: -159.490
flat angles P-C4'-P energy: -111.122
tors. eta vs tors. theta energy: -223.073
Dist. restrs. and SS energy: 4.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2616.313828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.313828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.642056 (E_RNA)
where:
Base-Base interactions energy: -1840.193
where: short stacking energy: -790.089
Base-Backbone interact. energy: -2.269
local terms energy: -783.180091
where:
bonds (distance) C4'-P energy: -145.881
bonds (distance) P-C4' energy: -138.988
flat angles C4'-P-C4' energy: -165.784
flat angles P-C4'-P energy: -93.153
tors. eta vs tors. theta energy: -239.374
Dist. restrs. and SS energy: 9.328 (S_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: 232
Temperature: 1.050000
Total energy: -2486.352366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.352366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.398254 (E_RNA)
where:
Base-Base interactions energy: -1757.774
where: short stacking energy: -741.860
Base-Backbone interact. energy: -6.887
local terms energy: -728.737799
where:
bonds (distance) C4'-P energy: -113.804
bonds (distance) P-C4' energy: -131.294
flat angles C4'-P-C4' energy: -154.248
flat angles P-C4'-P energy: -107.004
tors. eta vs tors. theta energy: -222.388
Dist. restrs. and SS energy: 7.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2438.261549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.261549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.257432 (E_RNA)
where:
Base-Base interactions energy: -1728.346
where: short stacking energy: -732.702
Base-Backbone interact. energy: -1.779
local terms energy: -720.132474
where:
bonds (distance) C4'-P energy: -121.173
bonds (distance) P-C4' energy: -117.582
flat angles C4'-P-C4' energy: -162.318
flat angles P-C4'-P energy: -100.876
tors. eta vs tors. theta energy: -218.183
Dist. restrs. and SS energy: 11.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2329.262576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.262576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.716434 (E_RNA)
where:
Base-Base interactions energy: -1628.876
where: short stacking energy: -686.024
Base-Backbone interact. energy: -4.319
local terms energy: -705.521292
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -127.280
flat angles C4'-P-C4' energy: -151.193
flat angles P-C4'-P energy: -100.126
tors. eta vs tors. theta energy: -208.485
Dist. restrs. and SS energy: 9.454 (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: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2342.516547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.516547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.536720 (E_RNA)
where:
Base-Base interactions energy: -1690.258
where: short stacking energy: -712.993
Base-Backbone interact. energy: -0.240
local terms energy: -662.039281
where:
bonds (distance) C4'-P energy: -117.893
bonds (distance) P-C4' energy: -104.517
flat angles C4'-P-C4' energy: -143.280
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -209.786
Dist. restrs. and SS energy: 10.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2169.369323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.369323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.090954 (E_RNA)
where:
Base-Base interactions energy: -1539.429
where: short stacking energy: -645.254
Base-Backbone interact. energy: -1.203
local terms energy: -639.458906
where:
bonds (distance) C4'-P energy: -110.340
bonds (distance) P-C4' energy: -125.706
flat angles C4'-P-C4' energy: -138.853
flat angles P-C4'-P energy: -82.768
tors. eta vs tors. theta energy: -181.792
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: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -2056.998287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.998287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.882965 (E_RNA)
where:
Base-Base interactions energy: -1454.867
where: short stacking energy: -595.584
Base-Backbone interact. energy: -4.426
local terms energy: -611.590080
where:
bonds (distance) C4'-P energy: -114.426
bonds (distance) P-C4' energy: -114.263
flat angles C4'-P-C4' energy: -128.812
flat angles P-C4'-P energy: -88.461
tors. eta vs tors. theta energy: -165.627
Dist. restrs. and SS energy: 13.885 (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: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -2062.188033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.188033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.865720 (E_RNA)
where:
Base-Base interactions energy: -1455.220
where: short stacking energy: -596.397
Base-Backbone interact. energy: -1.356
local terms energy: -625.288919
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -132.830
flat angles P-C4'-P energy: -74.886
tors. eta vs tors. theta energy: -177.130
Dist. restrs. and SS energy: 19.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2786.664982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.664982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.025408 (E_RNA)
where:
Base-Base interactions energy: -1944.727
where: short stacking energy: -835.941
Base-Backbone interact. energy: -0.206
local terms energy: -845.091887
where:
bonds (distance) C4'-P energy: -134.106
bonds (distance) P-C4' energy: -148.265
flat angles C4'-P-C4' energy: -171.804
flat angles P-C4'-P energy: -127.981
tors. eta vs tors. theta energy: -262.936
Dist. restrs. and SS energy: 3.360 (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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2669.634744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.634744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.179800 (E_RNA)
where:
Base-Base interactions energy: -1889.662
where: short stacking energy: -781.799
Base-Backbone interact. energy: -2.364
local terms energy: -785.153642
where:
bonds (distance) C4'-P energy: -137.101
bonds (distance) P-C4' energy: -146.202
flat angles C4'-P-C4' energy: -168.845
flat angles P-C4'-P energy: -104.606
tors. eta vs tors. theta energy: -228.399
Dist. restrs. and SS energy: 7.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2610.113842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.113842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.426221 (E_RNA)
where:
Base-Base interactions energy: -1839.187
where: short stacking energy: -760.394
Base-Backbone interact. energy: -0.308
local terms energy: -778.931533
where:
bonds (distance) C4'-P energy: -134.292
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -157.502
flat angles P-C4'-P energy: -113.570
tors. eta vs tors. theta energy: -227.509
Dist. restrs. and SS energy: 8.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2491.165984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.165984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.322387 (E_RNA)
where:
Base-Base interactions energy: -1741.878
where: short stacking energy: -733.157
Base-Backbone interact. energy: -4.338
local terms energy: -751.105956
where:
bonds (distance) C4'-P energy: -122.712
bonds (distance) P-C4' energy: -149.033
flat angles C4'-P-C4' energy: -159.859
flat angles P-C4'-P energy: -99.672
tors. eta vs tors. theta energy: -219.829
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: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2496.595498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.595498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.779222 (E_RNA)
where:
Base-Base interactions energy: -1748.537
where: short stacking energy: -761.275
Base-Backbone interact. energy: -1.229
local terms energy: -754.013570
where:
bonds (distance) C4'-P energy: -116.590
bonds (distance) P-C4' energy: -127.328
flat angles C4'-P-C4' energy: -158.348
flat angles P-C4'-P energy: -120.865
tors. eta vs tors. theta energy: -230.883
Dist. restrs. and SS energy: 7.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2299.994257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.994257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.526085 (E_RNA)
where:
Base-Base interactions energy: -1609.985
where: short stacking energy: -667.855
Base-Backbone interact. energy: -0.858
local terms energy: -693.683535
where:
bonds (distance) C4'-P energy: -122.812
bonds (distance) P-C4' energy: -123.855
flat angles C4'-P-C4' energy: -156.085
flat angles P-C4'-P energy: -94.380
tors. eta vs tors. theta energy: -196.552
Dist. restrs. and SS energy: 4.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2376.084030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.084030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.063288 (E_RNA)
where:
Base-Base interactions energy: -1651.359
where: short stacking energy: -712.137
Base-Backbone interact. energy: -1.525
local terms energy: -728.178825
where:
bonds (distance) C4'-P energy: -124.643
bonds (distance) P-C4' energy: -139.701
flat angles C4'-P-C4' energy: -141.594
flat angles P-C4'-P energy: -91.545
tors. eta vs tors. theta energy: -230.695
Dist. restrs. and SS energy: 4.979 (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: 233
Temperature: 1.250000
Total energy: -2224.455696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.455696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.810229 (E_RNA)
where:
Base-Base interactions energy: -1585.866
where: short stacking energy: -667.934
Base-Backbone interact. energy: -1.878
local terms energy: -649.066149
where:
bonds (distance) C4'-P energy: -135.027
bonds (distance) P-C4' energy: -102.515
flat angles C4'-P-C4' energy: -126.282
flat angles P-C4'-P energy: -88.592
tors. eta vs tors. theta energy: -196.649
Dist. restrs. and SS energy: 12.355 (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: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -2041.472596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.472596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.634145 (E_RNA)
where:
Base-Base interactions energy: -1474.316
where: short stacking energy: -587.042
Base-Backbone interact. energy: -0.703
local terms energy: -579.615562
where:
bonds (distance) C4'-P energy: -96.685
bonds (distance) P-C4' energy: -115.221
flat angles C4'-P-C4' energy: -125.340
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -166.798
Dist. restrs. and SS energy: 13.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -2017.010572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.010572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.532451 (E_RNA)
where:
Base-Base interactions energy: -1440.023
where: short stacking energy: -588.604
Base-Backbone interact. energy: 2.487
local terms energy: -593.995889
where:
bonds (distance) C4'-P energy: -96.797
bonds (distance) P-C4' energy: -113.737
flat angles C4'-P-C4' energy: -130.809
flat angles P-C4'-P energy: -81.771
tors. eta vs tors. theta energy: -170.881
Dist. restrs. and SS energy: 14.522 (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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2787.509625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.509625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.933154 (E_RNA)
where:
Base-Base interactions energy: -1956.613
where: short stacking energy: -842.162
Base-Backbone interact. energy: -1.670
local terms energy: -832.649506
where:
bonds (distance) C4'-P energy: -143.624
bonds (distance) P-C4' energy: -153.908
flat angles C4'-P-C4' energy: -166.748
flat angles P-C4'-P energy: -118.958
tors. eta vs tors. theta energy: -249.411
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: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2662.038882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.038882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.606768 (E_RNA)
where:
Base-Base interactions energy: -1880.736
where: short stacking energy: -772.622
Base-Backbone interact. energy: -3.523
local terms energy: -785.347608
where:
bonds (distance) C4'-P energy: -148.710
bonds (distance) P-C4' energy: -132.127
flat angles C4'-P-C4' energy: -164.601
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -231.527
Dist. restrs. and SS energy: 7.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2601.996876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.996876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.590695 (E_RNA)
where:
Base-Base interactions energy: -1830.699
where: short stacking energy: -792.381
Base-Backbone interact. energy: -1.374
local terms energy: -779.518019
where:
bonds (distance) C4'-P energy: -135.740
bonds (distance) P-C4' energy: -135.737
flat angles C4'-P-C4' energy: -156.881
flat angles P-C4'-P energy: -114.672
tors. eta vs tors. theta energy: -236.488
Dist. restrs. and SS energy: 9.594 (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: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2492.057971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.057971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.401915 (E_RNA)
where:
Base-Base interactions energy: -1742.826
where: short stacking energy: -712.388
Base-Backbone interact. energy: -2.764
local terms energy: -752.811820
where:
bonds (distance) C4'-P energy: -144.013
bonds (distance) P-C4' energy: -127.840
flat angles C4'-P-C4' energy: -159.271
flat angles P-C4'-P energy: -108.033
tors. eta vs tors. theta energy: -213.655
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2451.715131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.715131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.155553 (E_RNA)
where:
Base-Base interactions energy: -1743.168
where: short stacking energy: -746.535
Base-Backbone interact. energy: -2.214
local terms energy: -715.773102
where:
bonds (distance) C4'-P energy: -115.647
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -149.224
flat angles P-C4'-P energy: -102.208
tors. eta vs tors. theta energy: -222.669
Dist. restrs. and SS energy: 9.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2327.000966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.000966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.757558 (E_RNA)
where:
Base-Base interactions energy: -1655.045
where: short stacking energy: -679.136
Base-Backbone interact. energy: -2.485
local terms energy: -674.227575
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -116.958
flat angles C4'-P-C4' energy: -152.820
flat angles P-C4'-P energy: -88.266
tors. eta vs tors. theta energy: -196.577
Dist. restrs. and SS energy: 4.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2345.842045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.842045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.498690 (E_RNA)
where:
Base-Base interactions energy: -1671.543
where: short stacking energy: -713.923
Base-Backbone interact. energy: 0.932
local terms energy: -679.887353
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -123.745
flat angles C4'-P-C4' energy: -153.379
flat angles P-C4'-P energy: -97.646
tors. eta vs tors. theta energy: -200.475
Dist. restrs. and SS energy: 4.657 (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: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2203.558576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.558576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.662158 (E_RNA)
where:
Base-Base interactions energy: -1543.975
where: short stacking energy: -645.092
Base-Backbone interact. energy: -2.250
local terms energy: -665.436703
where:
bonds (distance) C4'-P energy: -110.159
bonds (distance) P-C4' energy: -122.990
flat angles C4'-P-C4' energy: -155.918
flat angles P-C4'-P energy: -92.081
tors. eta vs tors. theta energy: -184.289
Dist. restrs. and SS energy: 8.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -2040.866221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.866221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.694366 (E_RNA)
where:
Base-Base interactions energy: -1467.191
where: short stacking energy: -605.758
Base-Backbone interact. energy: 1.285
local terms energy: -590.788183
where:
bonds (distance) C4'-P energy: -102.429
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -127.650
flat angles P-C4'-P energy: -86.262
tors. eta vs tors. theta energy: -167.198
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1992.158821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.158821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.969448 (E_RNA)
where:
Base-Base interactions energy: -1438.116
where: short stacking energy: -591.956
Base-Backbone interact. energy: -1.971
local terms energy: -571.882072
where:
bonds (distance) C4'-P energy: -105.313
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -136.005
flat angles P-C4'-P energy: -78.871
tors. eta vs tors. theta energy: -157.608
Dist. restrs. and SS energy: 19.811 (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: 235
Temperature: 0.900000
Total energy: -2810.455486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.455486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.321939 (E_RNA)
where:
Base-Base interactions energy: -1971.376
where: short stacking energy: -850.913
Base-Backbone interact. energy: 1.902
local terms energy: -843.847722
where:
bonds (distance) C4'-P energy: -153.046
bonds (distance) P-C4' energy: -152.421
flat angles C4'-P-C4' energy: -167.659
flat angles P-C4'-P energy: -112.053
tors. eta vs tors. theta energy: -258.669
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2683.315591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.315591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.441042 (E_RNA)
where:
Base-Base interactions energy: -1877.581
where: short stacking energy: -803.797
Base-Backbone interact. energy: -4.754
local terms energy: -810.106102
where:
bonds (distance) C4'-P energy: -136.487
bonds (distance) P-C4' energy: -148.420
flat angles C4'-P-C4' energy: -164.325
flat angles P-C4'-P energy: -117.251
tors. eta vs tors. theta energy: -243.624
Dist. restrs. and SS energy: 9.125 (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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2642.991720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.991720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.695770 (E_RNA)
where:
Base-Base interactions energy: -1866.905
where: short stacking energy: -767.374
Base-Backbone interact. energy: -2.495
local terms energy: -782.294842
where:
bonds (distance) C4'-P energy: -135.380
bonds (distance) P-C4' energy: -147.250
flat angles C4'-P-C4' energy: -168.810
flat angles P-C4'-P energy: -102.021
tors. eta vs tors. theta energy: -228.834
Dist. restrs. and SS energy: 8.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2510.559961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.559961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.024887 (E_RNA)
where:
Base-Base interactions energy: -1776.343
where: short stacking energy: -765.357
Base-Backbone interact. energy: -2.498
local terms energy: -737.184589
where:
bonds (distance) C4'-P energy: -108.289
bonds (distance) P-C4' energy: -131.379
flat angles C4'-P-C4' energy: -164.429
flat angles P-C4'-P energy: -116.676
tors. eta vs tors. theta energy: -216.412
Dist. restrs. and SS energy: 5.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2458.655562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.655562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.962434 (E_RNA)
where:
Base-Base interactions energy: -1732.489
where: short stacking energy: -718.785
Base-Backbone interact. energy: -1.679
local terms energy: -730.794147
where:
bonds (distance) C4'-P energy: -127.272
bonds (distance) P-C4' energy: -124.616
flat angles C4'-P-C4' energy: -160.952
flat angles P-C4'-P energy: -100.073
tors. eta vs tors. theta energy: -217.881
Dist. restrs. and SS energy: 6.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2385.559092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.559092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.291932 (E_RNA)
where:
Base-Base interactions energy: -1677.574
where: short stacking energy: -709.657
Base-Backbone interact. energy: -0.965
local terms energy: -712.752757
where:
bonds (distance) C4'-P energy: -130.313
bonds (distance) P-C4' energy: -141.835
flat angles C4'-P-C4' energy: -150.815
flat angles P-C4'-P energy: -77.462
tors. eta vs tors. theta energy: -212.328
Dist. restrs. and SS energy: 5.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2260.209497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.209497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.320782 (E_RNA)
where:
Base-Base interactions energy: -1578.066
where: short stacking energy: -668.772
Base-Backbone interact. energy: 0.429
local terms energy: -690.683607
where:
bonds (distance) C4'-P energy: -138.125
bonds (distance) P-C4' energy: -124.707
flat angles C4'-P-C4' energy: -144.792
flat angles P-C4'-P energy: -90.483
tors. eta vs tors. theta energy: -192.577
Dist. restrs. and SS energy: 8.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2218.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.429308 (E_RNA)
where:
Base-Base interactions energy: -1565.548
where: short stacking energy: -675.280
Base-Backbone interact. energy: -2.178
local terms energy: -655.703735
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -120.704
flat angles C4'-P-C4' energy: -125.384
flat angles P-C4'-P energy: -90.770
tors. eta vs tors. theta energy: -196.123
Dist. restrs. and SS energy: 4.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -2089.481909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.481909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.524533 (E_RNA)
where:
Base-Base interactions energy: -1473.893
where: short stacking energy: -584.877
Base-Backbone interact. energy: 4.989
local terms energy: -639.620458
where:
bonds (distance) C4'-P energy: -111.824
bonds (distance) P-C4' energy: -113.412
flat angles C4'-P-C4' energy: -142.897
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -168.265
Dist. restrs. and SS energy: 19.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1992.105350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.105350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.309605 (E_RNA)
where:
Base-Base interactions energy: -1414.176
where: short stacking energy: -573.616
Base-Backbone interact. energy: -0.954
local terms energy: -595.179946
where:
bonds (distance) C4'-P energy: -112.733
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -127.729
flat angles P-C4'-P energy: -84.603
tors. eta vs tors. theta energy: -163.719
Dist. restrs. and SS energy: 18.204 (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: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2782.540757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.540757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.651908 (E_RNA)
where:
Base-Base interactions energy: -1972.118
where: short stacking energy: -848.047
Base-Backbone interact. energy: 1.535
local terms energy: -815.069186
where:
bonds (distance) C4'-P energy: -142.046
bonds (distance) P-C4' energy: -137.468
flat angles C4'-P-C4' energy: -167.964
flat angles P-C4'-P energy: -109.111
tors. eta vs tors. theta energy: -258.480
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2662.057461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.057461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.092631 (E_RNA)
where:
Base-Base interactions energy: -1871.809
where: short stacking energy: -771.267
Base-Backbone interact. energy: -3.577
local terms energy: -799.706512
where:
bonds (distance) C4'-P energy: -149.518
bonds (distance) P-C4' energy: -151.296
flat angles C4'-P-C4' energy: -162.895
flat angles P-C4'-P energy: -103.958
tors. eta vs tors. theta energy: -232.040
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: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2601.862853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.862853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.416189 (E_RNA)
where:
Base-Base interactions energy: -1818.664
where: short stacking energy: -771.219
Base-Backbone interact. energy: -0.522
local terms energy: -793.230249
where:
bonds (distance) C4'-P energy: -144.910
bonds (distance) P-C4' energy: -136.865
flat angles C4'-P-C4' energy: -173.593
flat angles P-C4'-P energy: -112.077
tors. eta vs tors. theta energy: -225.785
Dist. restrs. and SS energy: 10.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2507.671137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.671137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.840925 (E_RNA)
where:
Base-Base interactions energy: -1786.541
where: short stacking energy: -751.029
Base-Backbone interact. energy: -1.683
local terms energy: -724.617135
where:
bonds (distance) C4'-P energy: -123.574
bonds (distance) P-C4' energy: -123.929
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -107.096
tors. eta vs tors. theta energy: -215.344
Dist. restrs. and SS energy: 5.170 (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: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2430.904739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.904739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.455219 (E_RNA)
where:
Base-Base interactions energy: -1697.828
where: short stacking energy: -712.604
Base-Backbone interact. energy: -5.201
local terms energy: -741.426137
where:
bonds (distance) C4'-P energy: -127.475
bonds (distance) P-C4' energy: -123.978
flat angles C4'-P-C4' energy: -162.147
flat angles P-C4'-P energy: -114.188
tors. eta vs tors. theta energy: -213.638
Dist. restrs. and SS energy: 13.550 (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: 236
Temperature: 1.150000
Total energy: -2393.381533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.705406 (E_RNA)
where:
Base-Base interactions energy: -1700.894
where: short stacking energy: -720.322
Base-Backbone interact. energy: -2.673
local terms energy: -695.138467
where:
bonds (distance) C4'-P energy: -113.238
bonds (distance) P-C4' energy: -121.294
flat angles C4'-P-C4' energy: -147.701
flat angles P-C4'-P energy: -99.293
tors. eta vs tors. theta energy: -213.613
Dist. restrs. and SS energy: 5.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2342.580432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.580432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.213221 (E_RNA)
where:
Base-Base interactions energy: -1664.749
where: short stacking energy: -696.592
Base-Backbone interact. energy: -2.774
local terms energy: -683.690742
where:
bonds (distance) C4'-P energy: -115.700
bonds (distance) P-C4' energy: -131.826
flat angles C4'-P-C4' energy: -137.897
flat angles P-C4'-P energy: -81.517
tors. eta vs tors. theta energy: -216.751
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2208.372017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.372017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.077358 (E_RNA)
where:
Base-Base interactions energy: -1555.029
where: short stacking energy: -639.102
Base-Backbone interact. energy: 2.275
local terms energy: -667.323760
where:
bonds (distance) C4'-P energy: -115.077
bonds (distance) P-C4' energy: -123.918
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -83.844
tors. eta vs tors. theta energy: -200.887
Dist. restrs. and SS energy: 11.705 (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: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -2117.509885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.509885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.425128 (E_RNA)
where:
Base-Base interactions energy: -1477.003
where: short stacking energy: -599.076
Base-Backbone interact. energy: -0.556
local terms energy: -655.866344
where:
bonds (distance) C4'-P energy: -107.162
bonds (distance) P-C4' energy: -128.064
flat angles C4'-P-C4' energy: -144.788
flat angles P-C4'-P energy: -100.151
tors. eta vs tors. theta energy: -175.701
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1971.493037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.493037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.822686 (E_RNA)
where:
Base-Base interactions energy: -1365.952
where: short stacking energy: -577.646
Base-Backbone interact. energy: -0.426
local terms energy: -628.444270
where:
bonds (distance) C4'-P energy: -107.815
bonds (distance) P-C4' energy: -114.453
flat angles C4'-P-C4' energy: -143.433
flat angles P-C4'-P energy: -87.747
tors. eta vs tors. theta energy: -174.997
Dist. restrs. and SS energy: 23.330 (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: 237
Temperature: 0.900000
Total energy: -2800.526929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.526929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.283014 (E_RNA)
where:
Base-Base interactions energy: -1983.671
where: short stacking energy: -851.341
Base-Backbone interact. energy: -0.666
local terms energy: -818.945674
where:
bonds (distance) C4'-P energy: -130.325
bonds (distance) P-C4' energy: -144.775
flat angles C4'-P-C4' energy: -164.922
flat angles P-C4'-P energy: -118.261
tors. eta vs tors. theta energy: -260.662
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2660.698253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.698253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.603981 (E_RNA)
where:
Base-Base interactions energy: -1863.686
where: short stacking energy: -793.568
Base-Backbone interact. energy: -1.524
local terms energy: -806.394297
where:
bonds (distance) C4'-P energy: -136.636
bonds (distance) P-C4' energy: -133.776
flat angles C4'-P-C4' energy: -174.713
flat angles P-C4'-P energy: -125.413
tors. eta vs tors. theta energy: -235.856
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: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2608.851928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.851928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.777401 (E_RNA)
where:
Base-Base interactions energy: -1837.281
where: short stacking energy: -759.427
Base-Backbone interact. energy: -1.127
local terms energy: -778.369147
where:
bonds (distance) C4'-P energy: -132.103
bonds (distance) P-C4' energy: -144.080
flat angles C4'-P-C4' energy: -170.094
flat angles P-C4'-P energy: -109.637
tors. eta vs tors. theta energy: -222.455
Dist. restrs. and SS energy: 7.925 (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: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2538.733792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.733792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.080908 (E_RNA)
where:
Base-Base interactions energy: -1795.309
where: short stacking energy: -760.139
Base-Backbone interact. energy: 0.883
local terms energy: -749.654624
where:
bonds (distance) C4'-P energy: -141.116
bonds (distance) P-C4' energy: -138.716
flat angles C4'-P-C4' energy: -152.033
flat angles P-C4'-P energy: -106.355
tors. eta vs tors. theta energy: -211.435
Dist. restrs. and SS energy: 5.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2441.256645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.256645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.591272 (E_RNA)
where:
Base-Base interactions energy: -1748.135
where: short stacking energy: -728.749
Base-Backbone interact. energy: 4.312
local terms energy: -705.768800
where:
bonds (distance) C4'-P energy: -114.948
bonds (distance) P-C4' energy: -133.366
flat angles C4'-P-C4' energy: -149.057
flat angles P-C4'-P energy: -98.730
tors. eta vs tors. theta energy: -209.668
Dist. restrs. and SS energy: 8.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2405.928503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.928503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.643450 (E_RNA)
where:
Base-Base interactions energy: -1688.555
where: short stacking energy: -702.779
Base-Backbone interact. energy: -0.835
local terms energy: -721.253125
where:
bonds (distance) C4'-P energy: -118.672
bonds (distance) P-C4' energy: -130.836
flat angles C4'-P-C4' energy: -148.851
flat angles P-C4'-P energy: -104.667
tors. eta vs tors. theta energy: -218.228
Dist. restrs. and SS energy: 4.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2333.749918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.749918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.053064 (E_RNA)
where:
Base-Base interactions energy: -1675.231
where: short stacking energy: -705.176
Base-Backbone interact. energy: -4.724
local terms energy: -659.098763
where:
bonds (distance) C4'-P energy: -98.390
bonds (distance) P-C4' energy: -116.749
flat angles C4'-P-C4' energy: -146.442
flat angles P-C4'-P energy: -93.080
tors. eta vs tors. theta energy: -204.438
Dist. restrs. and SS energy: 5.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2205.437067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.437067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.787018 (E_RNA)
where:
Base-Base interactions energy: -1551.887
where: short stacking energy: -625.143
Base-Backbone interact. energy: -0.805
local terms energy: -668.095036
where:
bonds (distance) C4'-P energy: -122.412
bonds (distance) P-C4' energy: -116.567
flat angles C4'-P-C4' energy: -149.214
flat angles P-C4'-P energy: -82.637
tors. eta vs tors. theta energy: -197.265
Dist. restrs. and SS energy: 15.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -2124.383356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.383356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.686087 (E_RNA)
where:
Base-Base interactions energy: -1508.260
where: short stacking energy: -603.002
Base-Backbone interact. energy: 3.807
local terms energy: -627.233499
where:
bonds (distance) C4'-P energy: -114.060
bonds (distance) P-C4' energy: -123.759
flat angles C4'-P-C4' energy: -119.915
flat angles P-C4'-P energy: -90.501
tors. eta vs tors. theta energy: -178.998
Dist. restrs. and SS energy: 7.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1979.317513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.317513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.801527 (E_RNA)
where:
Base-Base interactions energy: -1412.368
where: short stacking energy: -584.687
Base-Backbone interact. energy: 2.170
local terms energy: -582.603523
where:
bonds (distance) C4'-P energy: -102.850
bonds (distance) P-C4' energy: -111.930
flat angles C4'-P-C4' energy: -141.577
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -146.702
Dist. restrs. and SS energy: 13.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2763.938959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.938959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.053885 (E_RNA)
where:
Base-Base interactions energy: -1941.413
where: short stacking energy: -828.024
Base-Backbone interact. energy: -4.554
local terms energy: -821.087096
where:
bonds (distance) C4'-P energy: -145.597
bonds (distance) P-C4' energy: -150.799
flat angles C4'-P-C4' energy: -163.931
flat angles P-C4'-P energy: -107.673
tors. eta vs tors. theta energy: -253.087
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2661.651827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.651827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.907564 (E_RNA)
where:
Base-Base interactions energy: -1875.964
where: short stacking energy: -802.976
Base-Backbone interact. energy: -0.691
local terms energy: -798.252064
where:
bonds (distance) C4'-P energy: -144.503
bonds (distance) P-C4' energy: -139.996
flat angles C4'-P-C4' energy: -165.509
flat angles P-C4'-P energy: -107.491
tors. eta vs tors. theta energy: -240.754
Dist. restrs. and SS energy: 13.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2600.124468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.124468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.367690 (E_RNA)
where:
Base-Base interactions energy: -1845.902
where: short stacking energy: -747.646
Base-Backbone interact. energy: 4.906
local terms energy: -767.371121
where:
bonds (distance) C4'-P energy: -121.660
bonds (distance) P-C4' energy: -145.250
flat angles C4'-P-C4' energy: -167.406
flat angles P-C4'-P energy: -109.411
tors. eta vs tors. theta energy: -223.645
Dist. restrs. and SS energy: 8.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2568.884355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.884355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.515574 (E_RNA)
where:
Base-Base interactions energy: -1799.116
where: short stacking energy: -737.893
Base-Backbone interact. energy: -3.812
local terms energy: -770.588243
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -140.957
flat angles C4'-P-C4' energy: -169.320
flat angles P-C4'-P energy: -97.993
tors. eta vs tors. theta energy: -228.600
Dist. restrs. and SS energy: 4.631 (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: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2444.111701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.111701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.933958 (E_RNA)
where:
Base-Base interactions energy: -1728.515
where: short stacking energy: -725.638
Base-Backbone interact. energy: -2.877
local terms energy: -718.542259
where:
bonds (distance) C4'-P energy: -108.192
bonds (distance) P-C4' energy: -134.539
flat angles C4'-P-C4' energy: -144.483
flat angles P-C4'-P energy: -111.876
tors. eta vs tors. theta energy: -219.453
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2371.787799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.787799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.012357 (E_RNA)
where:
Base-Base interactions energy: -1699.406
where: short stacking energy: -728.359
Base-Backbone interact. energy: 5.135
local terms energy: -689.741438
where:
bonds (distance) C4'-P energy: -107.079
bonds (distance) P-C4' energy: -124.988
flat angles C4'-P-C4' energy: -147.497
flat angles P-C4'-P energy: -100.132
tors. eta vs tors. theta energy: -210.046
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2324.138858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.525425 (E_RNA)
where:
Base-Base interactions energy: -1664.294
where: short stacking energy: -689.259
Base-Backbone interact. energy: 11.281
local terms energy: -677.512474
where:
bonds (distance) C4'-P energy: -94.461
bonds (distance) P-C4' energy: -116.035
flat angles C4'-P-C4' energy: -160.338
flat angles P-C4'-P energy: -104.379
tors. eta vs tors. theta energy: -202.299
Dist. restrs. and SS energy: 6.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2201.260966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.260966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.339506 (E_RNA)
where:
Base-Base interactions energy: -1550.634
where: short stacking energy: -657.790
Base-Backbone interact. energy: 4.600
local terms energy: -670.305200
where:
bonds (distance) C4'-P energy: -103.731
bonds (distance) P-C4' energy: -133.911
flat angles C4'-P-C4' energy: -152.459
flat angles P-C4'-P energy: -97.201
tors. eta vs tors. theta energy: -183.004
Dist. restrs. and SS energy: 15.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -2058.972389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.972389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.544815 (E_RNA)
where:
Base-Base interactions energy: -1418.838
where: short stacking energy: -583.645
Base-Backbone interact. energy: -1.210
local terms energy: -650.497628
where:
bonds (distance) C4'-P energy: -111.194
bonds (distance) P-C4' energy: -142.167
flat angles C4'-P-C4' energy: -146.135
flat angles P-C4'-P energy: -78.248
tors. eta vs tors. theta energy: -172.752
Dist. restrs. and SS energy: 11.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1967.726273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.726273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.980836 (E_RNA)
where:
Base-Base interactions energy: -1400.333
where: short stacking energy: -562.154
Base-Backbone interact. energy: -0.271
local terms energy: -588.376346
where:
bonds (distance) C4'-P energy: -98.939
bonds (distance) P-C4' energy: -127.614
flat angles C4'-P-C4' energy: -129.994
flat angles P-C4'-P energy: -80.003
tors. eta vs tors. theta energy: -151.826
Dist. restrs. and SS energy: 21.255 (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: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2778.028892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.028892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.114371 (E_RNA)
where:
Base-Base interactions energy: -1935.798
where: short stacking energy: -800.524
Base-Backbone interact. energy: -4.648
local terms energy: -840.668876
where:
bonds (distance) C4'-P energy: -148.051
bonds (distance) P-C4' energy: -153.831
flat angles C4'-P-C4' energy: -167.757
flat angles P-C4'-P energy: -116.401
tors. eta vs tors. theta energy: -254.630
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2646.236162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.236162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.129938 (E_RNA)
where:
Base-Base interactions energy: -1866.205
where: short stacking energy: -788.431
Base-Backbone interact. energy: -3.001
local terms energy: -786.924001
where:
bonds (distance) C4'-P energy: -133.625
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -178.670
flat angles P-C4'-P energy: -103.188
tors. eta vs tors. theta energy: -222.809
Dist. restrs. and SS energy: 9.894 (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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2586.593450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.593450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.829269 (E_RNA)
where:
Base-Base interactions energy: -1825.740
where: short stacking energy: -763.779
Base-Backbone interact. energy: -4.146
local terms energy: -764.943625
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -129.168
flat angles C4'-P-C4' energy: -170.052
flat angles P-C4'-P energy: -112.036
tors. eta vs tors. theta energy: -225.821
Dist. restrs. and SS energy: 8.236 (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: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2532.043551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.043551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.118900 (E_RNA)
where:
Base-Base interactions energy: -1794.104
where: short stacking energy: -750.191
Base-Backbone interact. energy: -3.831
local terms energy: -740.184020
where:
bonds (distance) C4'-P energy: -131.609
bonds (distance) P-C4' energy: -120.388
flat angles C4'-P-C4' energy: -162.666
flat angles P-C4'-P energy: -102.841
tors. eta vs tors. theta energy: -222.680
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2428.410625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.410625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.362368 (E_RNA)
where:
Base-Base interactions energy: -1707.984
where: short stacking energy: -717.583
Base-Backbone interact. energy: -1.360
local terms energy: -725.018725
where:
bonds (distance) C4'-P energy: -137.307
bonds (distance) P-C4' energy: -116.826
flat angles C4'-P-C4' energy: -153.329
flat angles P-C4'-P energy: -98.554
tors. eta vs tors. theta energy: -219.002
Dist. restrs. and SS energy: 5.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2353.202157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.202157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.736354 (E_RNA)
where:
Base-Base interactions energy: -1640.543
where: short stacking energy: -700.156
Base-Backbone interact. energy: -2.715
local terms energy: -723.478108
where:
bonds (distance) C4'-P energy: -122.761
bonds (distance) P-C4' energy: -135.227
flat angles C4'-P-C4' energy: -161.738
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -210.641
Dist. restrs. and SS energy: 13.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2342.968190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.968190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.368989 (E_RNA)
where:
Base-Base interactions energy: -1649.465
where: short stacking energy: -682.913
Base-Backbone interact. energy: -2.949
local terms energy: -697.955197
where:
bonds (distance) C4'-P energy: -144.395
bonds (distance) P-C4' energy: -130.165
flat angles C4'-P-C4' energy: -133.999
flat angles P-C4'-P energy: -83.721
tors. eta vs tors. theta energy: -205.675
Dist. restrs. and SS energy: 7.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2202.380035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.380035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.103356 (E_RNA)
where:
Base-Base interactions energy: -1553.560
where: short stacking energy: -666.782
Base-Backbone interact. energy: 0.173
local terms energy: -659.717111
where:
bonds (distance) C4'-P energy: -112.871
bonds (distance) P-C4' energy: -117.882
flat angles C4'-P-C4' energy: -152.085
flat angles P-C4'-P energy: -98.223
tors. eta vs tors. theta energy: -178.656
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: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -2078.919312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.919312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.799903 (E_RNA)
where:
Base-Base interactions energy: -1457.425
where: short stacking energy: -595.095
Base-Backbone interact. energy: -1.954
local terms energy: -630.420794
where:
bonds (distance) C4'-P energy: -123.446
bonds (distance) P-C4' energy: -134.343
flat angles C4'-P-C4' energy: -127.962
flat angles P-C4'-P energy: -66.533
tors. eta vs tors. theta energy: -178.136
Dist. restrs. and SS energy: 10.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1937.950261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.950261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.658423 (E_RNA)
where:
Base-Base interactions energy: -1364.248
where: short stacking energy: -569.239
Base-Backbone interact. energy: -1.506
local terms energy: -591.904351
where:
bonds (distance) C4'-P energy: -109.451
bonds (distance) P-C4' energy: -102.632
flat angles C4'-P-C4' energy: -120.267
flat angles P-C4'-P energy: -103.221
tors. eta vs tors. theta energy: -156.334
Dist. restrs. and SS energy: 19.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2791.258498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.258498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.113298 (E_RNA)
where:
Base-Base interactions energy: -1959.741
where: short stacking energy: -829.482
Base-Backbone interact. energy: -3.151
local terms energy: -830.221205
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -146.832
flat angles C4'-P-C4' energy: -163.979
flat angles P-C4'-P energy: -123.498
tors. eta vs tors. theta energy: -259.674
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2635.470682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.470682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.786867 (E_RNA)
where:
Base-Base interactions energy: -1846.260
where: short stacking energy: -762.277
Base-Backbone interact. energy: -0.306
local terms energy: -798.220537
where:
bonds (distance) C4'-P energy: -151.181
bonds (distance) P-C4' energy: -151.161
flat angles C4'-P-C4' energy: -161.702
flat angles P-C4'-P energy: -112.294
tors. eta vs tors. theta energy: -221.883
Dist. restrs. and SS energy: 9.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2583.786061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.786061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.933913 (E_RNA)
where:
Base-Base interactions energy: -1797.451
where: short stacking energy: -746.462
Base-Backbone interact. energy: -3.405
local terms energy: -789.077279
where:
bonds (distance) C4'-P energy: -137.035
bonds (distance) P-C4' energy: -158.407
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -110.272
tors. eta vs tors. theta energy: -222.858
Dist. restrs. and SS energy: 6.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2533.836263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.836263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.874599 (E_RNA)
where:
Base-Base interactions energy: -1805.079
where: short stacking energy: -769.760
Base-Backbone interact. energy: 2.131
local terms energy: -741.927345
where:
bonds (distance) C4'-P energy: -117.886
bonds (distance) P-C4' energy: -114.364
flat angles C4'-P-C4' energy: -170.301
flat angles P-C4'-P energy: -110.067
tors. eta vs tors. theta energy: -229.309
Dist. restrs. and SS energy: 11.038 (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: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2438.622557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.622557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.725745 (E_RNA)
where:
Base-Base interactions energy: -1715.973
where: short stacking energy: -729.956
Base-Backbone interact. energy: -1.745
local terms energy: -727.007759
where:
bonds (distance) C4'-P energy: -132.553
bonds (distance) P-C4' energy: -134.979
flat angles C4'-P-C4' energy: -152.628
flat angles P-C4'-P energy: -107.787
tors. eta vs tors. theta energy: -199.061
Dist. restrs. and SS energy: 6.103 (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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2420.551444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.551444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.290338 (E_RNA)
where:
Base-Base interactions energy: -1685.088
where: short stacking energy: -718.816
Base-Backbone interact. energy: -2.811
local terms energy: -736.391072
where:
bonds (distance) C4'-P energy: -108.498
bonds (distance) P-C4' energy: -129.347
flat angles C4'-P-C4' energy: -168.951
flat angles P-C4'-P energy: -108.059
tors. eta vs tors. theta energy: -221.537
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2318.770127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.770127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.485250 (E_RNA)
where:
Base-Base interactions energy: -1621.523
where: short stacking energy: -677.384
Base-Backbone interact. energy: 1.260
local terms energy: -704.222894
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -132.931
flat angles C4'-P-C4' energy: -166.425
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -209.285
Dist. restrs. and SS energy: 5.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2159.393827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.393827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.418981 (E_RNA)
where:
Base-Base interactions energy: -1536.339
where: short stacking energy: -627.600
Base-Backbone interact. energy: -1.450
local terms energy: -630.629904
where:
bonds (distance) C4'-P energy: -115.364
bonds (distance) P-C4' energy: -116.497
flat angles C4'-P-C4' energy: -140.575
flat angles P-C4'-P energy: -75.171
tors. eta vs tors. theta energy: -183.023
Dist. restrs. and SS energy: 9.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -2088.778599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.778599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.662744 (E_RNA)
where:
Base-Base interactions energy: -1482.872
where: short stacking energy: -626.729
Base-Backbone interact. energy: -4.025
local terms energy: -613.765722
where:
bonds (distance) C4'-P energy: -105.519
bonds (distance) P-C4' energy: -114.614
flat angles C4'-P-C4' energy: -132.084
flat angles P-C4'-P energy: -86.640
tors. eta vs tors. theta energy: -174.909
Dist. restrs. and SS energy: 11.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1946.719060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.719060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.080351 (E_RNA)
where:
Base-Base interactions energy: -1396.180
where: short stacking energy: -570.624
Base-Backbone interact. energy: 0.768
local terms energy: -569.668241
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -124.358
flat angles C4'-P-C4' energy: -143.072
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -146.639
Dist. restrs. and SS energy: 18.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2816.449229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.449229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.620435 (E_RNA)
where:
Base-Base interactions energy: -1983.903
where: short stacking energy: -831.834
Base-Backbone interact. energy: -2.854
local terms energy: -838.863387
where:
bonds (distance) C4'-P energy: -137.114
bonds (distance) P-C4' energy: -155.965
flat angles C4'-P-C4' energy: -171.662
flat angles P-C4'-P energy: -123.664
tors. eta vs tors. theta energy: -250.459
Dist. restrs. and SS energy: 9.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2627.831882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.831882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.296276 (E_RNA)
where:
Base-Base interactions energy: -1847.626
where: short stacking energy: -806.333
Base-Backbone interact. energy: -3.799
local terms energy: -788.871562
where:
bonds (distance) C4'-P energy: -141.487
bonds (distance) P-C4' energy: -129.167
flat angles C4'-P-C4' energy: -159.049
flat angles P-C4'-P energy: -123.619
tors. eta vs tors. theta energy: -235.550
Dist. restrs. and SS energy: 12.464 (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: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2607.280887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.969141 (E_RNA)
where:
Base-Base interactions energy: -1802.431
where: short stacking energy: -761.779
Base-Backbone interact. energy: -4.065
local terms energy: -806.473342
where:
bonds (distance) C4'-P energy: -137.853
bonds (distance) P-C4' energy: -150.808
flat angles C4'-P-C4' energy: -166.604
flat angles P-C4'-P energy: -124.316
tors. eta vs tors. theta energy: -226.892
Dist. restrs. and SS energy: 5.688 (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: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2549.696327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.696327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.690777 (E_RNA)
where:
Base-Base interactions energy: -1829.705
where: short stacking energy: -770.626
Base-Backbone interact. energy: 1.656
local terms energy: -735.640920
where:
bonds (distance) C4'-P energy: -132.342
bonds (distance) P-C4' energy: -115.116
flat angles C4'-P-C4' energy: -162.438
flat angles P-C4'-P energy: -98.389
tors. eta vs tors. theta energy: -227.356
Dist. restrs. and SS energy: 13.994 (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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2423.909210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.909210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.016203 (E_RNA)
where:
Base-Base interactions energy: -1712.895
where: short stacking energy: -738.424
Base-Backbone interact. energy: 3.716
local terms energy: -720.837672
where:
bonds (distance) C4'-P energy: -115.466
bonds (distance) P-C4' energy: -123.487
flat angles C4'-P-C4' energy: -161.829
flat angles P-C4'-P energy: -100.749
tors. eta vs tors. theta energy: -219.307
Dist. restrs. and SS energy: 6.107 (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: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2414.746713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.746713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.157627 (E_RNA)
where:
Base-Base interactions energy: -1709.588
where: short stacking energy: -724.686
Base-Backbone interact. energy: -1.285
local terms energy: -712.284358
where:
bonds (distance) C4'-P energy: -101.612
bonds (distance) P-C4' energy: -132.831
flat angles C4'-P-C4' energy: -168.530
flat angles P-C4'-P energy: -97.314
tors. eta vs tors. theta energy: -211.997
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: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2332.666126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.666126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.377358 (E_RNA)
where:
Base-Base interactions energy: -1643.375
where: short stacking energy: -688.670
Base-Backbone interact. energy: 0.998
local terms energy: -693.000054
where:
bonds (distance) C4'-P energy: -128.623
bonds (distance) P-C4' energy: -108.910
flat angles C4'-P-C4' energy: -161.357
flat angles P-C4'-P energy: -86.714
tors. eta vs tors. theta energy: -207.396
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2160.671929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.671929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.759917 (E_RNA)
where:
Base-Base interactions energy: -1512.846
where: short stacking energy: -625.115
Base-Backbone interact. energy: 2.361
local terms energy: -660.275438
where:
bonds (distance) C4'-P energy: -132.003
bonds (distance) P-C4' energy: -123.483
flat angles C4'-P-C4' energy: -141.780
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -182.923
Dist. restrs. and SS energy: 10.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -2067.288783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.288783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.485091 (E_RNA)
where:
Base-Base interactions energy: -1459.185
where: short stacking energy: -591.379
Base-Backbone interact. energy: 2.388
local terms energy: -620.687481
where:
bonds (distance) C4'-P energy: -98.456
bonds (distance) P-C4' energy: -120.815
flat angles C4'-P-C4' energy: -140.425
flat angles P-C4'-P energy: -86.287
tors. eta vs tors. theta energy: -174.704
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1945.682705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.682705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.746438 (E_RNA)
where:
Base-Base interactions energy: -1390.714
where: short stacking energy: -577.280
Base-Backbone interact. energy: 0.844
local terms energy: -569.875929
where:
bonds (distance) C4'-P energy: -102.888
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -122.152
flat angles P-C4'-P energy: -84.454
tors. eta vs tors. theta energy: -158.975
Dist. restrs. and SS energy: 14.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2805.447852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.447852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.369523 (E_RNA)
where:
Base-Base interactions energy: -1947.605
where: short stacking energy: -834.656
Base-Backbone interact. energy: -3.337
local terms energy: -860.428227
where:
bonds (distance) C4'-P energy: -153.765
bonds (distance) P-C4' energy: -147.666
flat angles C4'-P-C4' energy: -176.587
flat angles P-C4'-P energy: -121.919
tors. eta vs tors. theta energy: -260.491
Dist. restrs. and SS energy: 5.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2649.926113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.926113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.845719 (E_RNA)
where:
Base-Base interactions energy: -1870.850
where: short stacking energy: -783.814
Base-Backbone interact. energy: -1.721
local terms energy: -790.274684
where:
bonds (distance) C4'-P energy: -130.335
bonds (distance) P-C4' energy: -147.239
flat angles C4'-P-C4' energy: -162.886
flat angles P-C4'-P energy: -123.798
tors. eta vs tors. theta energy: -226.016
Dist. restrs. and SS energy: 12.920 (S_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: 242
Temperature: 1.000000
Total energy: -2623.460229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.460229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.417424 (E_RNA)
where:
Base-Base interactions energy: -1843.375
where: short stacking energy: -777.595
Base-Backbone interact. energy: -4.937
local terms energy: -782.104486
where:
bonds (distance) C4'-P energy: -150.425
bonds (distance) P-C4' energy: -133.293
flat angles C4'-P-C4' energy: -171.722
flat angles P-C4'-P energy: -111.165
tors. eta vs tors. theta energy: -215.500
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2547.457800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.457800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.468571 (E_RNA)
where:
Base-Base interactions energy: -1800.494
where: short stacking energy: -755.713
Base-Backbone interact. energy: -1.407
local terms energy: -753.567791
where:
bonds (distance) C4'-P energy: -130.987
bonds (distance) P-C4' energy: -132.358
flat angles C4'-P-C4' energy: -155.433
flat angles P-C4'-P energy: -106.765
tors. eta vs tors. theta energy: -228.025
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: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2452.708578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.708578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.774551 (E_RNA)
where:
Base-Base interactions energy: -1730.926
where: short stacking energy: -711.932
Base-Backbone interact. energy: -4.792
local terms energy: -726.055869
where:
bonds (distance) C4'-P energy: -123.259
bonds (distance) P-C4' energy: -136.995
flat angles C4'-P-C4' energy: -157.138
flat angles P-C4'-P energy: -101.122
tors. eta vs tors. theta energy: -207.542
Dist. restrs. and SS energy: 9.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2425.787901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.787901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.758090 (E_RNA)
where:
Base-Base interactions energy: -1705.300
where: short stacking energy: -706.432
Base-Backbone interact. energy: -1.873
local terms energy: -721.584598
where:
bonds (distance) C4'-P energy: -125.073
bonds (distance) P-C4' energy: -118.836
flat angles C4'-P-C4' energy: -161.373
flat angles P-C4'-P energy: -99.931
tors. eta vs tors. theta energy: -216.372
Dist. restrs. and SS energy: 2.970 (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: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2314.697477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.697477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.856262 (E_RNA)
where:
Base-Base interactions energy: -1631.199
where: short stacking energy: -694.433
Base-Backbone interact. energy: 2.275
local terms energy: -689.931976
where:
bonds (distance) C4'-P energy: -120.590
bonds (distance) P-C4' energy: -133.564
flat angles C4'-P-C4' energy: -137.392
flat angles P-C4'-P energy: -97.775
tors. eta vs tors. theta energy: -200.611
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2165.567679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.567679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.788030 (E_RNA)
where:
Base-Base interactions energy: -1503.312
where: short stacking energy: -637.516
Base-Backbone interact. energy: -4.770
local terms energy: -672.705728
where:
bonds (distance) C4'-P energy: -126.293
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -162.279
flat angles P-C4'-P energy: -84.758
tors. eta vs tors. theta energy: -177.592
Dist. restrs. and SS energy: 15.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -2103.410520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.410520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.024745 (E_RNA)
where:
Base-Base interactions energy: -1472.488
where: short stacking energy: -631.929
Base-Backbone interact. energy: -0.875
local terms energy: -640.662130
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -108.651
flat angles C4'-P-C4' energy: -151.926
flat angles P-C4'-P energy: -91.079
tors. eta vs tors. theta energy: -185.760
Dist. restrs. and SS energy: 10.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1982.037479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.037479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.685266 (E_RNA)
where:
Base-Base interactions energy: -1409.122
where: short stacking energy: -554.772
Base-Backbone interact. energy: -2.592
local terms energy: -582.971284
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -123.603
flat angles C4'-P-C4' energy: -131.260
flat angles P-C4'-P energy: -79.633
tors. eta vs tors. theta energy: -140.030
Dist. restrs. and SS energy: 12.648 (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: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2789.851736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.851736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.447152 (E_RNA)
where:
Base-Base interactions energy: -1967.533
where: short stacking energy: -817.163
Base-Backbone interact. energy: -2.055
local terms energy: -823.858733
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -143.594
flat angles C4'-P-C4' energy: -162.763
flat angles P-C4'-P energy: -123.049
tors. eta vs tors. theta energy: -263.652
Dist. restrs. and SS energy: 3.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2642.424113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.424113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.578495 (E_RNA)
where:
Base-Base interactions energy: -1853.121
where: short stacking energy: -779.569
Base-Backbone interact. energy: -3.761
local terms energy: -791.696649
where:
bonds (distance) C4'-P energy: -132.071
bonds (distance) P-C4' energy: -143.041
flat angles C4'-P-C4' energy: -179.220
flat angles P-C4'-P energy: -109.162
tors. eta vs tors. theta energy: -228.203
Dist. restrs. and SS energy: 6.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2614.363891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.363891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.511044 (E_RNA)
where:
Base-Base interactions energy: -1854.581
where: short stacking energy: -768.787
Base-Backbone interact. energy: -0.229
local terms energy: -768.700863
where:
bonds (distance) C4'-P energy: -118.452
bonds (distance) P-C4' energy: -143.923
flat angles C4'-P-C4' energy: -163.609
flat angles P-C4'-P energy: -115.483
tors. eta vs tors. theta energy: -227.233
Dist. restrs. and SS energy: 9.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2492.585370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.585370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.247348 (E_RNA)
where:
Base-Base interactions energy: -1756.433
where: short stacking energy: -764.041
Base-Backbone interact. energy: -0.522
local terms energy: -745.292077
where:
bonds (distance) C4'-P energy: -118.677
bonds (distance) P-C4' energy: -137.029
flat angles C4'-P-C4' energy: -154.581
flat angles P-C4'-P energy: -107.451
tors. eta vs tors. theta energy: -227.554
Dist. restrs. and SS energy: 9.662 (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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2432.245166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.245166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.999630 (E_RNA)
where:
Base-Base interactions energy: -1694.226
where: short stacking energy: -705.528
Base-Backbone interact. energy: 0.315
local terms energy: -745.088370
where:
bonds (distance) C4'-P energy: -122.288
bonds (distance) P-C4' energy: -143.081
flat angles C4'-P-C4' energy: -158.868
flat angles P-C4'-P energy: -104.095
tors. eta vs tors. theta energy: -216.757
Dist. restrs. and SS energy: 6.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2390.856506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.856506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.534219 (E_RNA)
where:
Base-Base interactions energy: -1656.368
where: short stacking energy: -713.167
Base-Backbone interact. energy: -2.885
local terms energy: -738.281187
where:
bonds (distance) C4'-P energy: -116.784
bonds (distance) P-C4' energy: -127.216
flat angles C4'-P-C4' energy: -161.881
flat angles P-C4'-P energy: -103.960
tors. eta vs tors. theta energy: -228.441
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: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2341.357446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.357446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.029732 (E_RNA)
where:
Base-Base interactions energy: -1653.309
where: short stacking energy: -709.642
Base-Backbone interact. energy: -0.352
local terms energy: -692.368729
where:
bonds (distance) C4'-P energy: -139.874
bonds (distance) P-C4' energy: -105.276
flat angles C4'-P-C4' energy: -143.448
flat angles P-C4'-P energy: -95.397
tors. eta vs tors. theta energy: -208.374
Dist. restrs. and SS energy: 4.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2172.062207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.062207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.879114 (E_RNA)
where:
Base-Base interactions energy: -1553.437
where: short stacking energy: -663.363
Base-Backbone interact. energy: 3.752
local terms energy: -637.194327
where:
bonds (distance) C4'-P energy: -102.052
bonds (distance) P-C4' energy: -111.103
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -90.900
tors. eta vs tors. theta energy: -199.635
Dist. restrs. and SS energy: 14.817 (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: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -2063.955297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.955297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.436473 (E_RNA)
where:
Base-Base interactions energy: -1462.512
where: short stacking energy: -617.317
Base-Backbone interact. energy: -4.295
local terms energy: -611.629609
where:
bonds (distance) C4'-P energy: -118.817
bonds (distance) P-C4' energy: -104.735
flat angles C4'-P-C4' energy: -125.470
flat angles P-C4'-P energy: -90.522
tors. eta vs tors. theta energy: -172.086
Dist. restrs. and SS energy: 14.481 (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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -2009.261467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.261467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.832673 (E_RNA)
where:
Base-Base interactions energy: -1416.944
where: short stacking energy: -570.160
Base-Backbone interact. energy: -0.467
local terms energy: -607.421488
where:
bonds (distance) C4'-P energy: -128.459
bonds (distance) P-C4' energy: -112.726
flat angles C4'-P-C4' energy: -142.734
flat angles P-C4'-P energy: -67.819
tors. eta vs tors. theta energy: -155.684
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: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2797.893736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.893736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.844509 (E_RNA)
where:
Base-Base interactions energy: -1939.674
where: short stacking energy: -821.062
Base-Backbone interact. energy: 0.088
local terms energy: -861.258002
where:
bonds (distance) C4'-P energy: -158.021
bonds (distance) P-C4' energy: -155.432
flat angles C4'-P-C4' energy: -165.498
flat angles P-C4'-P energy: -123.736
tors. eta vs tors. theta energy: -258.572
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: 244
Temperature: 0.950000
Total energy: -2673.829670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.829670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.557794 (E_RNA)
where:
Base-Base interactions energy: -1870.185
where: short stacking energy: -783.807
Base-Backbone interact. energy: -4.774
local terms energy: -805.598549
where:
bonds (distance) C4'-P energy: -145.149
bonds (distance) P-C4' energy: -145.498
flat angles C4'-P-C4' energy: -165.245
flat angles P-C4'-P energy: -123.927
tors. eta vs tors. theta energy: -225.780
Dist. restrs. and SS energy: 6.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2611.184571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.184571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.107229 (E_RNA)
where:
Base-Base interactions energy: -1840.112
where: short stacking energy: -780.964
Base-Backbone interact. energy: -1.075
local terms energy: -777.919898
where:
bonds (distance) C4'-P energy: -127.519
bonds (distance) P-C4' energy: -127.960
flat angles C4'-P-C4' energy: -166.549
flat angles P-C4'-P energy: -117.537
tors. eta vs tors. theta energy: -238.355
Dist. restrs. and SS energy: 7.923 (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: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2529.336992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.336992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.152451 (E_RNA)
where:
Base-Base interactions energy: -1789.083
where: short stacking energy: -735.449
Base-Backbone interact. energy: -4.179
local terms energy: -746.890692
where:
bonds (distance) C4'-P energy: -131.690
bonds (distance) P-C4' energy: -122.193
flat angles C4'-P-C4' energy: -162.727
flat angles P-C4'-P energy: -112.470
tors. eta vs tors. theta energy: -217.810
Dist. restrs. and SS energy: 10.815 (S_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: 244
Temperature: 1.100000
Total energy: -2481.099759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.099759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.460633 (E_RNA)
where:
Base-Base interactions energy: -1725.639
where: short stacking energy: -743.836
Base-Backbone interact. energy: -0.881
local terms energy: -759.940988
where:
bonds (distance) C4'-P energy: -142.570
bonds (distance) P-C4' energy: -127.061
flat angles C4'-P-C4' energy: -159.179
flat angles P-C4'-P energy: -106.856
tors. eta vs tors. theta energy: -224.275
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: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2398.446021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.446021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.344867 (E_RNA)
where:
Base-Base interactions energy: -1691.321
where: short stacking energy: -730.866
Base-Backbone interact. energy: -2.318
local terms energy: -711.706146
where:
bonds (distance) C4'-P energy: -132.963
bonds (distance) P-C4' energy: -130.896
flat angles C4'-P-C4' energy: -153.010
flat angles P-C4'-P energy: -90.457
tors. eta vs tors. theta energy: -204.380
Dist. restrs. and SS energy: 6.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2332.700724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.700724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.730468 (E_RNA)
where:
Base-Base interactions energy: -1636.809
where: short stacking energy: -676.695
Base-Backbone interact. energy: -1.217
local terms energy: -699.703775
where:
bonds (distance) C4'-P energy: -124.363
bonds (distance) P-C4' energy: -106.558
flat angles C4'-P-C4' energy: -154.820
flat angles P-C4'-P energy: -110.494
tors. eta vs tors. theta energy: -203.469
Dist. restrs. and SS energy: 5.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2237.236123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.236123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.887241 (E_RNA)
where:
Base-Base interactions energy: -1593.692
where: short stacking energy: -688.399
Base-Backbone interact. energy: 0.099
local terms energy: -663.293905
where:
bonds (distance) C4'-P energy: -110.038
bonds (distance) P-C4' energy: -117.418
flat angles C4'-P-C4' energy: -135.975
flat angles P-C4'-P energy: -102.821
tors. eta vs tors. theta energy: -197.041
Dist. restrs. and SS energy: 19.651 (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: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -2136.628805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.628805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.166770 (E_RNA)
where:
Base-Base interactions energy: -1561.930
where: short stacking energy: -647.576
Base-Backbone interact. energy: -0.992
local terms energy: -580.244131
where:
bonds (distance) C4'-P energy: -110.093
bonds (distance) P-C4' energy: -89.953
flat angles C4'-P-C4' energy: -121.747
flat angles P-C4'-P energy: -77.142
tors. eta vs tors. theta energy: -181.310
Dist. restrs. and SS energy: 6.538 (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: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -2029.009802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.009802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.392341 (E_RNA)
where:
Base-Base interactions energy: -1409.148
where: short stacking energy: -596.207
Base-Backbone interact. energy: -0.383
local terms energy: -634.860822
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -122.554
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -82.623
tors. eta vs tors. theta energy: -169.992
Dist. restrs. and SS energy: 15.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2802.084518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.084518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.172020 (E_RNA)
where:
Base-Base interactions energy: -1948.652
where: short stacking energy: -842.026
Base-Backbone interact. energy: -3.143
local terms energy: -852.376945
where:
bonds (distance) C4'-P energy: -147.770
bonds (distance) P-C4' energy: -149.878
flat angles C4'-P-C4' energy: -170.533
flat angles P-C4'-P energy: -125.939
tors. eta vs tors. theta energy: -258.258
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2639.764732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.764732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.361129 (E_RNA)
where:
Base-Base interactions energy: -1863.063
where: short stacking energy: -780.570
Base-Backbone interact. energy: -1.134
local terms energy: -788.164069
where:
bonds (distance) C4'-P energy: -133.244
bonds (distance) P-C4' energy: -149.895
flat angles C4'-P-C4' energy: -163.622
flat angles P-C4'-P energy: -117.852
tors. eta vs tors. theta energy: -223.552
Dist. restrs. and SS energy: 12.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2586.168794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.168794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.080774 (E_RNA)
where:
Base-Base interactions energy: -1799.576
where: short stacking energy: -778.648
Base-Backbone interact. energy: -0.801
local terms energy: -790.704384
where:
bonds (distance) C4'-P energy: -147.636
bonds (distance) P-C4' energy: -146.763
flat angles C4'-P-C4' energy: -163.013
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -225.617
Dist. restrs. and SS energy: 4.912 (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: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2522.569065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.569065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.289377 (E_RNA)
where:
Base-Base interactions energy: -1800.371
where: short stacking energy: -751.668
Base-Backbone interact. energy: -1.604
local terms energy: -723.314358
where:
bonds (distance) C4'-P energy: -127.860
bonds (distance) P-C4' energy: -105.646
flat angles C4'-P-C4' energy: -163.577
flat angles P-C4'-P energy: -98.128
tors. eta vs tors. theta energy: -228.103
Dist. restrs. and SS energy: 2.720 (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: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2525.351822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.351822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.007582 (E_RNA)
where:
Base-Base interactions energy: -1775.601
where: short stacking energy: -738.792
Base-Backbone interact. energy: -1.522
local terms energy: -759.884454
where:
bonds (distance) C4'-P energy: -128.776
bonds (distance) P-C4' energy: -146.504
flat angles C4'-P-C4' energy: -162.176
flat angles P-C4'-P energy: -105.433
tors. eta vs tors. theta energy: -216.995
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2430.677497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.677497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.810323 (E_RNA)
where:
Base-Base interactions energy: -1693.040
where: short stacking energy: -707.088
Base-Backbone interact. energy: 3.738
local terms energy: -751.508679
where:
bonds (distance) C4'-P energy: -130.822
bonds (distance) P-C4' energy: -131.480
flat angles C4'-P-C4' energy: -156.938
flat angles P-C4'-P energy: -111.655
tors. eta vs tors. theta energy: -220.614
Dist. restrs. and SS energy: 10.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2298.342268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.342268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.755194 (E_RNA)
where:
Base-Base interactions energy: -1600.969
where: short stacking energy: -682.542
Base-Backbone interact. energy: 1.201
local terms energy: -702.987975
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -165.182
flat angles P-C4'-P energy: -97.498
tors. eta vs tors. theta energy: -199.305
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: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2222.543707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.543707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.923536 (E_RNA)
where:
Base-Base interactions energy: -1597.607
where: short stacking energy: -661.848
Base-Backbone interact. energy: -0.151
local terms energy: -632.164596
where:
bonds (distance) C4'-P energy: -98.685
bonds (distance) P-C4' energy: -106.453
flat angles C4'-P-C4' energy: -158.729
flat angles P-C4'-P energy: -81.771
tors. eta vs tors. theta energy: -186.527
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: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -2102.972829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.972829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.756906 (E_RNA)
where:
Base-Base interactions energy: -1498.196
where: short stacking energy: -603.977
Base-Backbone interact. energy: -0.367
local terms energy: -615.193914
where:
bonds (distance) C4'-P energy: -97.661
bonds (distance) P-C4' energy: -114.991
flat angles C4'-P-C4' energy: -140.931
flat angles P-C4'-P energy: -96.212
tors. eta vs tors. theta energy: -165.398
Dist. restrs. and SS energy: 10.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1971.149552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.509284 (E_RNA)
where:
Base-Base interactions energy: -1398.477
where: short stacking energy: -593.889
Base-Backbone interact. energy: -2.885
local terms energy: -587.147395
where:
bonds (distance) C4'-P energy: -116.964
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -138.356
flat angles P-C4'-P energy: -75.459
tors. eta vs tors. theta energy: -153.860
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: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2796.535250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.535250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.021528 (E_RNA)
where:
Base-Base interactions energy: -1947.292
where: short stacking energy: -831.431
Base-Backbone interact. energy: -4.874
local terms energy: -845.855850
where:
bonds (distance) C4'-P energy: -142.615
bonds (distance) P-C4' energy: -160.532
flat angles C4'-P-C4' energy: -178.291
flat angles P-C4'-P energy: -113.182
tors. eta vs tors. theta energy: -251.235
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2665.132934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.132934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.080147 (E_RNA)
where:
Base-Base interactions energy: -1871.720
where: short stacking energy: -781.625
Base-Backbone interact. energy: -3.907
local terms energy: -804.453870
where:
bonds (distance) C4'-P energy: -138.825
bonds (distance) P-C4' energy: -142.021
flat angles C4'-P-C4' energy: -172.900
flat angles P-C4'-P energy: -120.112
tors. eta vs tors. theta energy: -230.596
Dist. restrs. and SS energy: 14.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2577.967440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.088242 (E_RNA)
where:
Base-Base interactions energy: -1810.767
where: short stacking energy: -783.227
Base-Backbone interact. energy: 1.034
local terms energy: -773.354687
where:
bonds (distance) C4'-P energy: -134.773
bonds (distance) P-C4' energy: -133.656
flat angles C4'-P-C4' energy: -163.397
flat angles P-C4'-P energy: -109.473
tors. eta vs tors. theta energy: -232.055
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: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2592.448856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.448856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.467627 (E_RNA)
where:
Base-Base interactions energy: -1809.126
where: short stacking energy: -793.188
Base-Backbone interact. energy: -2.060
local terms energy: -788.282382
where:
bonds (distance) C4'-P energy: -134.965
bonds (distance) P-C4' energy: -145.186
flat angles C4'-P-C4' energy: -162.913
flat angles P-C4'-P energy: -110.875
tors. eta vs tors. theta energy: -234.344
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: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2475.835796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.835796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.157840 (E_RNA)
where:
Base-Base interactions energy: -1753.984
where: short stacking energy: -749.268
Base-Backbone interact. energy: -0.625
local terms energy: -727.548669
where:
bonds (distance) C4'-P energy: -136.081
bonds (distance) P-C4' energy: -142.785
flat angles C4'-P-C4' energy: -144.348
flat angles P-C4'-P energy: -93.933
tors. eta vs tors. theta energy: -210.403
Dist. restrs. and SS energy: 6.322 (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: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2407.566864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.566864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.861809 (E_RNA)
where:
Base-Base interactions energy: -1700.652
where: short stacking energy: -727.114
Base-Backbone interact. energy: -0.967
local terms energy: -712.242202
where:
bonds (distance) C4'-P energy: -114.195
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -149.794
flat angles P-C4'-P energy: -102.663
tors. eta vs tors. theta energy: -223.508
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: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2317.493475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.493475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.338871 (E_RNA)
where:
Base-Base interactions energy: -1617.085
where: short stacking energy: -694.708
Base-Backbone interact. energy: 2.706
local terms energy: -706.959293
where:
bonds (distance) C4'-P energy: -126.909
bonds (distance) P-C4' energy: -136.633
flat angles C4'-P-C4' energy: -143.425
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -203.234
Dist. restrs. and SS energy: 3.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2214.770943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.770943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.593736 (E_RNA)
where:
Base-Base interactions energy: -1590.568
where: short stacking energy: -675.446
Base-Backbone interact. energy: -0.367
local terms energy: -628.658197
where:
bonds (distance) C4'-P energy: -101.865
bonds (distance) P-C4' energy: -109.282
flat angles C4'-P-C4' energy: -130.182
flat angles P-C4'-P energy: -84.563
tors. eta vs tors. theta energy: -202.765
Dist. restrs. and SS energy: 4.823 (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: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -2090.909446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.909446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.081101 (E_RNA)
where:
Base-Base interactions energy: -1489.172
where: short stacking energy: -604.677
Base-Backbone interact. energy: 1.411
local terms energy: -626.320932
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -119.669
flat angles C4'-P-C4' energy: -133.534
flat angles P-C4'-P energy: -99.797
tors. eta vs tors. theta energy: -173.652
Dist. restrs. and SS energy: 23.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1988.944159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.944159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.173071 (E_RNA)
where:
Base-Base interactions energy: -1412.336
where: short stacking energy: -578.022
Base-Backbone interact. energy: 2.355
local terms energy: -593.191886
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -109.486
flat angles C4'-P-C4' energy: -131.194
flat angles P-C4'-P energy: -78.832
tors. eta vs tors. theta energy: -170.794
Dist. restrs. and SS energy: 14.229 (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: 247
Temperature: 0.900000
Total energy: -2833.814515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.814515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.518512 (E_RNA)
where:
Base-Base interactions energy: -1986.267
where: short stacking energy: -843.781
Base-Backbone interact. energy: -2.609
local terms energy: -847.642529
where:
bonds (distance) C4'-P energy: -139.033
bonds (distance) P-C4' energy: -136.523
flat angles C4'-P-C4' energy: -175.372
flat angles P-C4'-P energy: -124.822
tors. eta vs tors. theta energy: -271.894
Dist. restrs. and SS energy: 2.704 (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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2679.558982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.558982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.906056 (E_RNA)
where:
Base-Base interactions energy: -1858.252
where: short stacking energy: -789.506
Base-Backbone interact. energy: -7.784
local terms energy: -826.870220
where:
bonds (distance) C4'-P energy: -150.071
bonds (distance) P-C4' energy: -146.517
flat angles C4'-P-C4' energy: -172.999
flat angles P-C4'-P energy: -118.856
tors. eta vs tors. theta energy: -238.428
Dist. restrs. and SS energy: 13.347 (S_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: 247
Temperature: 1.000000
Total energy: -2609.744523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.744523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.827269 (E_RNA)
where:
Base-Base interactions energy: -1850.494
where: short stacking energy: -798.869
Base-Backbone interact. energy: -3.453
local terms energy: -763.880733
where:
bonds (distance) C4'-P energy: -114.853
bonds (distance) P-C4' energy: -136.080
flat angles C4'-P-C4' energy: -166.210
flat angles P-C4'-P energy: -115.281
tors. eta vs tors. theta energy: -231.456
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: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2551.325817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.325817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.007524 (E_RNA)
where:
Base-Base interactions energy: -1798.063
where: short stacking energy: -763.727
Base-Backbone interact. energy: -1.158
local terms energy: -756.786416
where:
bonds (distance) C4'-P energy: -145.861
bonds (distance) P-C4' energy: -112.597
flat angles C4'-P-C4' energy: -160.294
flat angles P-C4'-P energy: -110.887
tors. eta vs tors. theta energy: -227.147
Dist. restrs. and SS energy: 4.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2473.246413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.246413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.017434 (E_RNA)
where:
Base-Base interactions energy: -1736.954
where: short stacking energy: -709.606
Base-Backbone interact. energy: -0.065
local terms energy: -745.998956
where:
bonds (distance) C4'-P energy: -122.446
bonds (distance) P-C4' energy: -134.192
flat angles C4'-P-C4' energy: -153.066
flat angles P-C4'-P energy: -114.355
tors. eta vs tors. theta energy: -221.939
Dist. restrs. and SS energy: 9.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2373.669081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.669081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.307506 (E_RNA)
where:
Base-Base interactions energy: -1667.394
where: short stacking energy: -685.616
Base-Backbone interact. energy: -4.107
local terms energy: -707.805914
where:
bonds (distance) C4'-P energy: -130.619
bonds (distance) P-C4' energy: -117.302
flat angles C4'-P-C4' energy: -158.321
flat angles P-C4'-P energy: -96.781
tors. eta vs tors. theta energy: -204.782
Dist. restrs. and SS energy: 5.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2287.858007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.858007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.202945 (E_RNA)
where:
Base-Base interactions energy: -1603.246
where: short stacking energy: -696.290
Base-Backbone interact. energy: -2.395
local terms energy: -685.562672
where:
bonds (distance) C4'-P energy: -114.498
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -140.343
flat angles P-C4'-P energy: -95.005
tors. eta vs tors. theta energy: -208.795
Dist. restrs. and SS energy: 3.345 (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: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2179.352769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.352769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.966883 (E_RNA)
where:
Base-Base interactions energy: -1506.308
where: short stacking energy: -607.951
Base-Backbone interact. energy: -2.336
local terms energy: -684.323182
where:
bonds (distance) C4'-P energy: -126.942
bonds (distance) P-C4' energy: -134.837
flat angles C4'-P-C4' energy: -147.099
flat angles P-C4'-P energy: -84.718
tors. eta vs tors. theta energy: -190.727
Dist. restrs. and SS energy: 13.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -2119.557541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.557541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.650418 (E_RNA)
where:
Base-Base interactions energy: -1477.688
where: short stacking energy: -622.571
Base-Backbone interact. energy: 5.562
local terms energy: -660.524673
where:
bonds (distance) C4'-P energy: -113.319
bonds (distance) P-C4' energy: -122.175
flat angles C4'-P-C4' energy: -148.610
flat angles P-C4'-P energy: -93.418
tors. eta vs tors. theta energy: -183.004
Dist. restrs. and SS energy: 13.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -2043.373529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.373529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.999517 (E_RNA)
where:
Base-Base interactions energy: -1479.491
where: short stacking energy: -592.824
Base-Backbone interact. energy: -4.739
local terms energy: -578.770331
where:
bonds (distance) C4'-P energy: -80.799
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -133.949
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -176.225
Dist. restrs. and SS energy: 19.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2849.137136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.137136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.820645 (E_RNA)
where:
Base-Base interactions energy: -1990.244
where: short stacking energy: -844.887
Base-Backbone interact. energy: -2.783
local terms energy: -857.793731
where:
bonds (distance) C4'-P energy: -159.144
bonds (distance) P-C4' energy: -143.573
flat angles C4'-P-C4' energy: -164.267
flat angles P-C4'-P energy: -125.550
tors. eta vs tors. theta energy: -265.260
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2704.236651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.236651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.254743 (E_RNA)
where:
Base-Base interactions energy: -1893.481
where: short stacking energy: -763.682
Base-Backbone interact. energy: -1.967
local terms energy: -819.807309
where:
bonds (distance) C4'-P energy: -135.502
bonds (distance) P-C4' energy: -158.122
flat angles C4'-P-C4' energy: -181.336
flat angles P-C4'-P energy: -112.528
tors. eta vs tors. theta energy: -232.319
Dist. restrs. and SS energy: 11.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2578.002011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.002011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.557978 (E_RNA)
where:
Base-Base interactions energy: -1799.631
where: short stacking energy: -782.984
Base-Backbone interact. energy: -0.206
local terms energy: -781.720904
where:
bonds (distance) C4'-P energy: -137.539
bonds (distance) P-C4' energy: -124.987
flat angles C4'-P-C4' energy: -162.043
flat angles P-C4'-P energy: -122.605
tors. eta vs tors. theta energy: -234.546
Dist. restrs. and SS energy: 3.556 (S_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: 248
Temperature: 1.050000
Total energy: -2527.855181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.855181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.754449 (E_RNA)
where:
Base-Base interactions energy: -1789.021
where: short stacking energy: -767.898
Base-Backbone interact. energy: -1.532
local terms energy: -744.201956
where:
bonds (distance) C4'-P energy: -115.134
bonds (distance) P-C4' energy: -134.844
flat angles C4'-P-C4' energy: -158.066
flat angles P-C4'-P energy: -112.497
tors. eta vs tors. theta energy: -223.662
Dist. restrs. and SS energy: 6.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2449.968180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.968180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.836713 (E_RNA)
where:
Base-Base interactions energy: -1726.829
where: short stacking energy: -717.198
Base-Backbone interact. energy: 1.455
local terms energy: -731.462930
where:
bonds (distance) C4'-P energy: -141.481
bonds (distance) P-C4' energy: -124.356
flat angles C4'-P-C4' energy: -157.890
flat angles P-C4'-P energy: -104.232
tors. eta vs tors. theta energy: -203.503
Dist. restrs. and SS energy: 6.869 (S_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: 248
Temperature: 1.150000
Total energy: -2334.245583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.245583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.942665 (E_RNA)
where:
Base-Base interactions energy: -1645.586
where: short stacking energy: -698.405
Base-Backbone interact. energy: -0.306
local terms energy: -696.051194
where:
bonds (distance) C4'-P energy: -117.532
bonds (distance) P-C4' energy: -108.447
flat angles C4'-P-C4' energy: -152.736
flat angles P-C4'-P energy: -106.702
tors. eta vs tors. theta energy: -210.634
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: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2332.633944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.633944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.318148 (E_RNA)
where:
Base-Base interactions energy: -1625.707
where: short stacking energy: -678.262
Base-Backbone interact. energy: 1.215
local terms energy: -714.826128
where:
bonds (distance) C4'-P energy: -130.453
bonds (distance) P-C4' energy: -142.206
flat angles C4'-P-C4' energy: -136.550
flat angles P-C4'-P energy: -101.115
tors. eta vs tors. theta energy: -204.503
Dist. restrs. and SS energy: 6.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2212.141720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.141720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.557404 (E_RNA)
where:
Base-Base interactions energy: -1564.464
where: short stacking energy: -642.077
Base-Backbone interact. energy: -1.851
local terms energy: -657.241717
where:
bonds (distance) C4'-P energy: -114.742
bonds (distance) P-C4' energy: -116.963
flat angles C4'-P-C4' energy: -144.929
flat angles P-C4'-P energy: -97.236
tors. eta vs tors. theta energy: -183.372
Dist. restrs. and SS energy: 11.416 (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: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -2103.214278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.214278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.916134 (E_RNA)
where:
Base-Base interactions energy: -1480.320
where: short stacking energy: -600.301
Base-Backbone interact. energy: -2.074
local terms energy: -630.522701
where:
bonds (distance) C4'-P energy: -127.263
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -131.296
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -183.209
Dist. restrs. and SS energy: 9.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -2031.076683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.076683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.201300 (E_RNA)
where:
Base-Base interactions energy: -1421.433
where: short stacking energy: -583.642
Base-Backbone interact. energy: -3.624
local terms energy: -618.143590
where:
bonds (distance) C4'-P energy: -88.337
bonds (distance) P-C4' energy: -128.205
flat angles C4'-P-C4' energy: -143.128
flat angles P-C4'-P energy: -87.817
tors. eta vs tors. theta energy: -170.656
Dist. restrs. and SS energy: 12.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2852.546260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.546260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.787128 (E_RNA)
where:
Base-Base interactions energy: -2000.213
where: short stacking energy: -876.183
Base-Backbone interact. energy: -1.772
local terms energy: -852.802333
where:
bonds (distance) C4'-P energy: -139.426
bonds (distance) P-C4' energy: -140.155
flat angles C4'-P-C4' energy: -173.944
flat angles P-C4'-P energy: -127.444
tors. eta vs tors. theta energy: -271.833
Dist. restrs. and SS energy: 2.241 (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: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2700.459816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.459816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.484597 (E_RNA)
where:
Base-Base interactions energy: -1904.488
where: short stacking energy: -786.611
Base-Backbone interact. energy: -2.968
local terms energy: -806.028550
where:
bonds (distance) C4'-P energy: -143.324
bonds (distance) P-C4' energy: -155.523
flat angles C4'-P-C4' energy: -163.444
flat angles P-C4'-P energy: -111.126
tors. eta vs tors. theta energy: -232.611
Dist. restrs. and SS energy: 13.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2603.671684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.671684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.959232 (E_RNA)
where:
Base-Base interactions energy: -1820.927
where: short stacking energy: -777.421
Base-Backbone interact. energy: 1.455
local terms energy: -792.487484
where:
bonds (distance) C4'-P energy: -129.219
bonds (distance) P-C4' energy: -155.053
flat angles C4'-P-C4' energy: -162.317
flat angles P-C4'-P energy: -112.972
tors. eta vs tors. theta energy: -232.926
Dist. restrs. and SS energy: 8.288 (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: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2589.955134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.955134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.794383 (E_RNA)
where:
Base-Base interactions energy: -1823.983
where: short stacking energy: -793.578
Base-Backbone interact. energy: -3.370
local terms energy: -772.441554
where:
bonds (distance) C4'-P energy: -122.412
bonds (distance) P-C4' energy: -158.330
flat angles C4'-P-C4' energy: -155.859
flat angles P-C4'-P energy: -99.838
tors. eta vs tors. theta energy: -236.002
Dist. restrs. and SS energy: 9.839 (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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2450.946643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.946643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.765817 (E_RNA)
where:
Base-Base interactions energy: -1717.824
where: short stacking energy: -714.878
Base-Backbone interact. energy: -2.080
local terms energy: -737.861768
where:
bonds (distance) C4'-P energy: -119.335
bonds (distance) P-C4' energy: -136.482
flat angles C4'-P-C4' energy: -156.686
flat angles P-C4'-P energy: -105.447
tors. eta vs tors. theta energy: -219.912
Dist. restrs. and SS energy: 6.819 (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: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2374.237526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.237526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.183341 (E_RNA)
where:
Base-Base interactions energy: -1657.247
where: short stacking energy: -692.806
Base-Backbone interact. energy: -1.662
local terms energy: -723.273867
where:
bonds (distance) C4'-P energy: -141.099
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -141.754
flat angles P-C4'-P energy: -95.534
tors. eta vs tors. theta energy: -218.675
Dist. restrs. and SS energy: 7.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2282.357647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.357647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.710108 (E_RNA)
where:
Base-Base interactions energy: -1616.813
where: short stacking energy: -692.897
Base-Backbone interact. energy: 1.413
local terms energy: -671.310685
where:
bonds (distance) C4'-P energy: -113.586
bonds (distance) P-C4' energy: -119.268
flat angles C4'-P-C4' energy: -151.892
flat angles P-C4'-P energy: -90.306
tors. eta vs tors. theta energy: -196.258
Dist. restrs. and SS energy: 4.352 (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: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2186.729442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.729442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.991804 (E_RNA)
where:
Base-Base interactions energy: -1553.302
where: short stacking energy: -644.552
Base-Backbone interact. energy: -2.083
local terms energy: -646.606762
where:
bonds (distance) C4'-P energy: -107.705
bonds (distance) P-C4' energy: -115.860
flat angles C4'-P-C4' energy: -143.627
flat angles P-C4'-P energy: -94.703
tors. eta vs tors. theta energy: -184.711
Dist. restrs. and SS energy: 15.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -2170.381068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.381068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.180836 (E_RNA)
where:
Base-Base interactions energy: -1556.367
where: short stacking energy: -628.549
Base-Backbone interact. energy: -1.100
local terms energy: -621.713965
where:
bonds (distance) C4'-P energy: -104.423
bonds (distance) P-C4' energy: -79.861
flat angles C4'-P-C4' energy: -138.817
flat angles P-C4'-P energy: -104.557
tors. eta vs tors. theta energy: -194.056
Dist. restrs. and SS energy: 8.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1968.698467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.698467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.843318 (E_RNA)
where:
Base-Base interactions energy: -1377.676
where: short stacking energy: -556.557
Base-Backbone interact. energy: -6.868
local terms energy: -600.299335
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -111.759
flat angles C4'-P-C4' energy: -134.895
flat angles P-C4'-P energy: -79.716
tors. eta vs tors. theta energy: -162.681
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: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2855.951666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.951666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.736737 (E_RNA)
where:
Base-Base interactions energy: -2001.885
where: short stacking energy: -841.469
Base-Backbone interact. energy: -3.356
local terms energy: -853.496128
where:
bonds (distance) C4'-P energy: -149.187
bonds (distance) P-C4' energy: -147.107
flat angles C4'-P-C4' energy: -167.645
flat angles P-C4'-P energy: -122.313
tors. eta vs tors. theta energy: -267.244
Dist. restrs. and SS energy: 2.785 (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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2659.471689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.471689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.416339 (E_RNA)
where:
Base-Base interactions energy: -1874.311
where: short stacking energy: -794.905
Base-Backbone interact. energy: -1.890
local terms energy: -794.215632
where:
bonds (distance) C4'-P energy: -131.484
bonds (distance) P-C4' energy: -143.214
flat angles C4'-P-C4' energy: -174.887
flat angles P-C4'-P energy: -111.922
tors. eta vs tors. theta energy: -232.707
Dist. restrs. and SS energy: 10.945 (S_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: 250
Temperature: 1.000000
Total energy: -2608.289537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.289537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.728085 (E_RNA)
where:
Base-Base interactions energy: -1810.063
where: short stacking energy: -769.953
Base-Backbone interact. energy: -3.300
local terms energy: -802.365026
where:
bonds (distance) C4'-P energy: -141.663
bonds (distance) P-C4' energy: -132.189
flat angles C4'-P-C4' energy: -165.390
flat angles P-C4'-P energy: -124.134
tors. eta vs tors. theta energy: -238.989
Dist. restrs. and SS energy: 7.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2549.644201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.644201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.695743 (E_RNA)
where:
Base-Base interactions energy: -1798.145
where: short stacking energy: -773.333
Base-Backbone interact. energy: -0.979
local terms energy: -755.571541
where:
bonds (distance) C4'-P energy: -127.823
bonds (distance) P-C4' energy: -134.804
flat angles C4'-P-C4' energy: -162.695
flat angles P-C4'-P energy: -113.636
tors. eta vs tors. theta energy: -216.612
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: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2430.919678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.919678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.001414 (E_RNA)
where:
Base-Base interactions energy: -1716.344
where: short stacking energy: -711.287
Base-Backbone interact. energy: 6.056
local terms energy: -724.713028
where:
bonds (distance) C4'-P energy: -125.113
bonds (distance) P-C4' energy: -138.348
flat angles C4'-P-C4' energy: -164.497
flat angles P-C4'-P energy: -92.255
tors. eta vs tors. theta energy: -204.500
Dist. restrs. and SS energy: 4.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2375.233251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.233251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.049122 (E_RNA)
where:
Base-Base interactions energy: -1657.030
where: short stacking energy: -692.052
Base-Backbone interact. energy: 1.329
local terms energy: -724.348558
where:
bonds (distance) C4'-P energy: -136.229
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -151.103
flat angles P-C4'-P energy: -92.704
tors. eta vs tors. theta energy: -214.098
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: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2333.435679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.435679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.578997 (E_RNA)
where:
Base-Base interactions energy: -1670.544
where: short stacking energy: -710.297
Base-Backbone interact. energy: -1.788
local terms energy: -666.247234
where:
bonds (distance) C4'-P energy: -106.073
bonds (distance) P-C4' energy: -116.163
flat angles C4'-P-C4' energy: -143.242
flat angles P-C4'-P energy: -93.023
tors. eta vs tors. theta energy: -207.746
Dist. restrs. and SS energy: 5.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2156.970032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.970032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.005646 (E_RNA)
where:
Base-Base interactions energy: -1498.763
where: short stacking energy: -620.287
Base-Backbone interact. energy: -2.834
local terms energy: -668.408665
where:
bonds (distance) C4'-P energy: -122.849
bonds (distance) P-C4' energy: -129.555
flat angles C4'-P-C4' energy: -139.331
flat angles P-C4'-P energy: -92.885
tors. eta vs tors. theta energy: -183.788
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: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -2172.736884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.736884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.657244 (E_RNA)
where:
Base-Base interactions energy: -1586.749
where: short stacking energy: -658.331
Base-Backbone interact. energy: -2.191
local terms energy: -590.717101
where:
bonds (distance) C4'-P energy: -92.404
bonds (distance) P-C4' energy: -117.709
flat angles C4'-P-C4' energy: -122.176
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -190.650
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: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1948.494045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.494045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.012520 (E_RNA)
where:
Base-Base interactions energy: -1398.664
where: short stacking energy: -568.064
Base-Backbone interact. energy: 1.488
local terms energy: -569.836609
where:
bonds (distance) C4'-P energy: -96.922
bonds (distance) P-C4' energy: -120.407
flat angles C4'-P-C4' energy: -118.233
flat angles P-C4'-P energy: -89.189
tors. eta vs tors. theta energy: -145.086
Dist. restrs. and SS energy: 18.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2808.285482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.285482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.310383 (E_RNA)
where:
Base-Base interactions energy: -1988.573
where: short stacking energy: -834.948
Base-Backbone interact. energy: -2.577
local terms energy: -819.160363
where:
bonds (distance) C4'-P energy: -138.515
bonds (distance) P-C4' energy: -148.166
flat angles C4'-P-C4' energy: -168.993
flat angles P-C4'-P energy: -114.676
tors. eta vs tors. theta energy: -248.809
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2697.658440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.658440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.094842 (E_RNA)
where:
Base-Base interactions energy: -1894.492
where: short stacking energy: -766.419
Base-Backbone interact. energy: -1.540
local terms energy: -814.063275
where:
bonds (distance) C4'-P energy: -142.674
bonds (distance) P-C4' energy: -142.686
flat angles C4'-P-C4' energy: -173.986
flat angles P-C4'-P energy: -112.989
tors. eta vs tors. theta energy: -241.728
Dist. restrs. and SS energy: 12.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2573.432335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.432335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.798427 (E_RNA)
where:
Base-Base interactions energy: -1805.286
where: short stacking energy: -764.372
Base-Backbone interact. energy: -3.067
local terms energy: -775.444961
where:
bonds (distance) C4'-P energy: -134.139
bonds (distance) P-C4' energy: -133.924
flat angles C4'-P-C4' energy: -161.509
flat angles P-C4'-P energy: -115.057
tors. eta vs tors. theta energy: -230.816
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: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2569.692513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.692513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.626040 (E_RNA)
where:
Base-Base interactions energy: -1801.559
where: short stacking energy: -764.438
Base-Backbone interact. energy: 0.898
local terms energy: -773.964541
where:
bonds (distance) C4'-P energy: -133.350
bonds (distance) P-C4' energy: -144.180
flat angles C4'-P-C4' energy: -157.751
flat angles P-C4'-P energy: -111.794
tors. eta vs tors. theta energy: -226.889
Dist. restrs. and SS energy: 4.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2440.490115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.490115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.841927 (E_RNA)
where:
Base-Base interactions energy: -1723.489
where: short stacking energy: -720.794
Base-Backbone interact. energy: 7.197
local terms energy: -729.549693
where:
bonds (distance) C4'-P energy: -125.547
bonds (distance) P-C4' energy: -140.585
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -100.926
tors. eta vs tors. theta energy: -207.825
Dist. restrs. and SS energy: 5.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2398.267673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.267673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.976813 (E_RNA)
where:
Base-Base interactions energy: -1679.909
where: short stacking energy: -712.282
Base-Backbone interact. energy: -2.832
local terms energy: -722.236307
where:
bonds (distance) C4'-P energy: -124.968
bonds (distance) P-C4' energy: -129.153
flat angles C4'-P-C4' energy: -156.998
flat angles P-C4'-P energy: -92.803
tors. eta vs tors. theta energy: -218.314
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: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2316.009999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.009999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.717756 (E_RNA)
where:
Base-Base interactions energy: -1636.123
where: short stacking energy: -672.906
Base-Backbone interact. energy: 1.628
local terms energy: -687.223058
where:
bonds (distance) C4'-P energy: -122.512
bonds (distance) P-C4' energy: -108.902
flat angles C4'-P-C4' energy: -153.138
flat angles P-C4'-P energy: -103.123
tors. eta vs tors. theta energy: -199.549
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: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2130.335459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.335459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.343166 (E_RNA)
where:
Base-Base interactions energy: -1496.242
where: short stacking energy: -595.438
Base-Backbone interact. energy: -5.323
local terms energy: -636.778650
where:
bonds (distance) C4'-P energy: -109.358
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -98.632
tors. eta vs tors. theta energy: -175.001
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: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -2130.763983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.763983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.274739 (E_RNA)
where:
Base-Base interactions energy: -1502.346
where: short stacking energy: -615.496
Base-Backbone interact. energy: 4.176
local terms energy: -641.104119
where:
bonds (distance) C4'-P energy: -113.546
bonds (distance) P-C4' energy: -122.825
flat angles C4'-P-C4' energy: -137.412
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -172.208
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -2043.311113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.311113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.914639 (E_RNA)
where:
Base-Base interactions energy: -1436.574
where: short stacking energy: -604.502
Base-Backbone interact. energy: -2.061
local terms energy: -617.279732
where:
bonds (distance) C4'-P energy: -116.677
bonds (distance) P-C4' energy: -126.478
flat angles C4'-P-C4' energy: -135.126
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -173.960
Dist. restrs. and SS energy: 12.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2810.219527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.219527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.935895 (E_RNA)
where:
Base-Base interactions energy: -1982.454
where: short stacking energy: -843.068
Base-Backbone interact. energy: -0.363
local terms energy: -832.118873
where:
bonds (distance) C4'-P energy: -140.900
bonds (distance) P-C4' energy: -120.647
flat angles C4'-P-C4' energy: -179.239
flat angles P-C4'-P energy: -125.987
tors. eta vs tors. theta energy: -265.346
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2722.701648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.701648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.551873 (E_RNA)
where:
Base-Base interactions energy: -1902.966
where: short stacking energy: -796.511
Base-Backbone interact. energy: -0.979
local terms energy: -829.606545
where:
bonds (distance) C4'-P energy: -147.058
bonds (distance) P-C4' energy: -140.941
flat angles C4'-P-C4' energy: -177.196
flat angles P-C4'-P energy: -113.160
tors. eta vs tors. theta energy: -251.252
Dist. restrs. and SS energy: 10.850 (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: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2596.275211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.275211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.607405 (E_RNA)
where:
Base-Base interactions energy: -1837.090
where: short stacking energy: -777.442
Base-Backbone interact. energy: -1.005
local terms energy: -767.512977
where:
bonds (distance) C4'-P energy: -133.126
bonds (distance) P-C4' energy: -128.377
flat angles C4'-P-C4' energy: -161.767
flat angles P-C4'-P energy: -113.789
tors. eta vs tors. theta energy: -230.454
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2569.151565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.151565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.390516 (E_RNA)
where:
Base-Base interactions energy: -1808.802
where: short stacking energy: -774.046
Base-Backbone interact. energy: -2.877
local terms energy: -765.711007
where:
bonds (distance) C4'-P energy: -127.472
bonds (distance) P-C4' energy: -155.063
flat angles C4'-P-C4' energy: -160.920
flat angles P-C4'-P energy: -97.675
tors. eta vs tors. theta energy: -224.580
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2435.980132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.980132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.201836 (E_RNA)
where:
Base-Base interactions energy: -1703.869
where: short stacking energy: -711.760
Base-Backbone interact. energy: 7.475
local terms energy: -745.807568
where:
bonds (distance) C4'-P energy: -129.174
bonds (distance) P-C4' energy: -128.150
flat angles C4'-P-C4' energy: -162.915
flat angles P-C4'-P energy: -106.756
tors. eta vs tors. theta energy: -218.813
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: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2392.739168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.739168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.568587 (E_RNA)
where:
Base-Base interactions energy: -1670.023
where: short stacking energy: -688.284
Base-Backbone interact. energy: -0.197
local terms energy: -727.348809
where:
bonds (distance) C4'-P energy: -134.936
bonds (distance) P-C4' energy: -124.450
flat angles C4'-P-C4' energy: -152.575
flat angles P-C4'-P energy: -109.947
tors. eta vs tors. theta energy: -205.441
Dist. restrs. and SS energy: 4.829 (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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2310.086934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.086934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.812965 (E_RNA)
where:
Base-Base interactions energy: -1634.300
where: short stacking energy: -687.561
Base-Backbone interact. energy: -2.428
local terms energy: -683.085532
where:
bonds (distance) C4'-P energy: -131.167
bonds (distance) P-C4' energy: -129.828
flat angles C4'-P-C4' energy: -151.937
flat angles P-C4'-P energy: -70.835
tors. eta vs tors. theta energy: -199.319
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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2176.785696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.785696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.877028 (E_RNA)
where:
Base-Base interactions energy: -1544.085
where: short stacking energy: -637.717
Base-Backbone interact. energy: -5.185
local terms energy: -637.606306
where:
bonds (distance) C4'-P energy: -110.469
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -139.121
flat angles P-C4'-P energy: -91.638
tors. eta vs tors. theta energy: -192.778
Dist. restrs. and SS energy: 10.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -2133.524110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.524110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.367895 (E_RNA)
where:
Base-Base interactions energy: -1523.878
where: short stacking energy: -624.148
Base-Backbone interact. energy: -3.410
local terms energy: -613.079608
where:
bonds (distance) C4'-P energy: -111.703
bonds (distance) P-C4' energy: -101.616
flat angles C4'-P-C4' energy: -141.988
flat angles P-C4'-P energy: -77.220
tors. eta vs tors. theta energy: -180.552
Dist. restrs. and SS energy: 6.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -2040.499219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.499219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.020569 (E_RNA)
where:
Base-Base interactions energy: -1464.793
where: short stacking energy: -632.834
Base-Backbone interact. energy: -1.699
local terms energy: -587.528385
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -97.581
flat angles C4'-P-C4' energy: -134.774
flat angles P-C4'-P energy: -94.541
tors. eta vs tors. theta energy: -163.363
Dist. restrs. and SS energy: 13.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2770.064664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.064664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.007850 (E_RNA)
where:
Base-Base interactions energy: -1915.616
where: short stacking energy: -823.708
Base-Backbone interact. energy: -3.216
local terms energy: -853.176297
where:
bonds (distance) C4'-P energy: -146.602
bonds (distance) P-C4' energy: -156.919
flat angles C4'-P-C4' energy: -172.492
flat angles P-C4'-P energy: -116.438
tors. eta vs tors. theta energy: -260.726
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2658.022095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.022095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.077269 (E_RNA)
where:
Base-Base interactions energy: -1852.049
where: short stacking energy: -785.302
Base-Backbone interact. energy: -2.321
local terms energy: -815.706473
where:
bonds (distance) C4'-P energy: -140.424
bonds (distance) P-C4' energy: -147.161
flat angles C4'-P-C4' energy: -173.405
flat angles P-C4'-P energy: -110.151
tors. eta vs tors. theta energy: -244.566
Dist. restrs. and SS energy: 12.055 (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: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2572.879578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.879578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.940260 (E_RNA)
where:
Base-Base interactions energy: -1794.044
where: short stacking energy: -773.362
Base-Backbone interact. energy: -2.724
local terms energy: -785.171804
where:
bonds (distance) C4'-P energy: -149.178
bonds (distance) P-C4' energy: -122.900
flat angles C4'-P-C4' energy: -169.532
flat angles P-C4'-P energy: -108.855
tors. eta vs tors. theta energy: -234.707
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: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2535.165878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.165878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.222672 (E_RNA)
where:
Base-Base interactions energy: -1789.534
where: short stacking energy: -758.046
Base-Backbone interact. energy: -2.975
local terms energy: -746.713982
where:
bonds (distance) C4'-P energy: -118.861
bonds (distance) P-C4' energy: -120.120
flat angles C4'-P-C4' energy: -165.124
flat angles P-C4'-P energy: -121.333
tors. eta vs tors. theta energy: -221.276
Dist. restrs. and SS energy: 4.057 (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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2458.831793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.831793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.481138 (E_RNA)
where:
Base-Base interactions energy: -1732.891
where: short stacking energy: -754.499
Base-Backbone interact. energy: -2.064
local terms energy: -728.526008
where:
bonds (distance) C4'-P energy: -130.423
bonds (distance) P-C4' energy: -125.836
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -101.895
tors. eta vs tors. theta energy: -227.523
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2391.686085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.686085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.375466 (E_RNA)
where:
Base-Base interactions energy: -1688.639
where: short stacking energy: -709.466
Base-Backbone interact. energy: -2.114
local terms energy: -708.622053
where:
bonds (distance) C4'-P energy: -126.314
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -140.911
flat angles P-C4'-P energy: -99.359
tors. eta vs tors. theta energy: -206.585
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2301.833134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.833134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.402352 (E_RNA)
where:
Base-Base interactions energy: -1650.109
where: short stacking energy: -702.950
Base-Backbone interact. energy: -2.128
local terms energy: -656.164922
where:
bonds (distance) C4'-P energy: -105.772
bonds (distance) P-C4' energy: -115.826
flat angles C4'-P-C4' energy: -145.827
flat angles P-C4'-P energy: -87.895
tors. eta vs tors. theta energy: -200.845
Dist. restrs. and SS energy: 6.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2218.777191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.777191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.222777 (E_RNA)
where:
Base-Base interactions energy: -1584.049
where: short stacking energy: -659.566
Base-Backbone interact. energy: 3.871
local terms energy: -654.044806
where:
bonds (distance) C4'-P energy: -116.531
bonds (distance) P-C4' energy: -117.860
flat angles C4'-P-C4' energy: -140.778
flat angles P-C4'-P energy: -87.387
tors. eta vs tors. theta energy: -191.489
Dist. restrs. and SS energy: 15.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -2053.415153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.415153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.761725 (E_RNA)
where:
Base-Base interactions energy: -1440.287
where: short stacking energy: -614.392
Base-Backbone interact. energy: -0.313
local terms energy: -626.161728
where:
bonds (distance) C4'-P energy: -118.788
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -131.444
flat angles P-C4'-P energy: -84.336
tors. eta vs tors. theta energy: -180.289
Dist. restrs. and SS energy: 13.347 (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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -2009.317795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.317795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.088086 (E_RNA)
where:
Base-Base interactions energy: -1421.242
where: short stacking energy: -573.301
Base-Backbone interact. energy: 1.961
local terms energy: -604.807165
where:
bonds (distance) C4'-P energy: -120.072
bonds (distance) P-C4' energy: -108.979
flat angles C4'-P-C4' energy: -130.644
flat angles P-C4'-P energy: -82.824
tors. eta vs tors. theta energy: -162.288
Dist. restrs. and SS energy: 14.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2794.662798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.662798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.008857 (E_RNA)
where:
Base-Base interactions energy: -1955.257
where: short stacking energy: -850.804
Base-Backbone interact. energy: -2.577
local terms energy: -840.175552
where:
bonds (distance) C4'-P energy: -145.869
bonds (distance) P-C4' energy: -137.550
flat angles C4'-P-C4' energy: -165.965
flat angles P-C4'-P energy: -129.891
tors. eta vs tors. theta energy: -260.901
Dist. restrs. and SS energy: 3.346 (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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2682.512946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.512946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.354639 (E_RNA)
where:
Base-Base interactions energy: -1876.543
where: short stacking energy: -774.207
Base-Backbone interact. energy: -2.984
local terms energy: -809.827590
where:
bonds (distance) C4'-P energy: -155.374
bonds (distance) P-C4' energy: -141.515
flat angles C4'-P-C4' energy: -171.873
flat angles P-C4'-P energy: -107.177
tors. eta vs tors. theta energy: -233.889
Dist. restrs. and SS energy: 6.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2602.976189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.976189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.984858 (E_RNA)
where:
Base-Base interactions energy: -1830.617
where: short stacking energy: -744.425
Base-Backbone interact. energy: -4.811
local terms energy: -774.557655
where:
bonds (distance) C4'-P energy: -139.526
bonds (distance) P-C4' energy: -152.420
flat angles C4'-P-C4' energy: -162.232
flat angles P-C4'-P energy: -89.558
tors. eta vs tors. theta energy: -230.823
Dist. restrs. and SS energy: 7.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2554.376108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.376108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.141677 (E_RNA)
where:
Base-Base interactions energy: -1805.242
where: short stacking energy: -773.052
Base-Backbone interact. energy: 0.767
local terms energy: -752.665872
where:
bonds (distance) C4'-P energy: -128.928
bonds (distance) P-C4' energy: -134.238
flat angles C4'-P-C4' energy: -158.619
flat angles P-C4'-P energy: -104.013
tors. eta vs tors. theta energy: -226.868
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: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2460.294158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.294158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.625147 (E_RNA)
where:
Base-Base interactions energy: -1730.345
where: short stacking energy: -732.538
Base-Backbone interact. energy: -3.400
local terms energy: -731.879408
where:
bonds (distance) C4'-P energy: -119.684
bonds (distance) P-C4' energy: -119.383
flat angles C4'-P-C4' energy: -173.986
flat angles P-C4'-P energy: -96.791
tors. eta vs tors. theta energy: -222.036
Dist. restrs. and SS energy: 5.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2412.589904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.589904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.593226 (E_RNA)
where:
Base-Base interactions energy: -1698.454
where: short stacking energy: -725.264
Base-Backbone interact. energy: 2.062
local terms energy: -720.201135
where:
bonds (distance) C4'-P energy: -111.351
bonds (distance) P-C4' energy: -139.033
flat angles C4'-P-C4' energy: -152.928
flat angles P-C4'-P energy: -99.975
tors. eta vs tors. theta energy: -216.914
Dist. restrs. and SS energy: 4.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2272.714362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.714362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.672576 (E_RNA)
where:
Base-Base interactions energy: -1627.883
where: short stacking energy: -658.804
Base-Backbone interact. energy: -2.976
local terms energy: -649.813185
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -119.927
flat angles C4'-P-C4' energy: -131.633
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -192.198
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: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2216.345298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.345298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.896712 (E_RNA)
where:
Base-Base interactions energy: -1581.112
where: short stacking energy: -682.700
Base-Backbone interact. energy: -0.295
local terms energy: -641.490248
where:
bonds (distance) C4'-P energy: -100.028
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -135.404
flat angles P-C4'-P energy: -98.700
tors. eta vs tors. theta energy: -196.689
Dist. restrs. and SS energy: 6.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -2127.902147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.902147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.646772 (E_RNA)
where:
Base-Base interactions energy: -1491.827
where: short stacking energy: -608.590
Base-Backbone interact. energy: -1.519
local terms energy: -645.301239
where:
bonds (distance) C4'-P energy: -127.484
bonds (distance) P-C4' energy: -121.064
flat angles C4'-P-C4' energy: -140.604
flat angles P-C4'-P energy: -79.185
tors. eta vs tors. theta energy: -176.965
Dist. restrs. and SS energy: 10.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -2035.163626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.163626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.106557 (E_RNA)
where:
Base-Base interactions energy: -1419.652
where: short stacking energy: -598.586
Base-Backbone interact. energy: -2.833
local terms energy: -619.622145
where:
bonds (distance) C4'-P energy: -115.184
bonds (distance) P-C4' energy: -120.853
flat angles C4'-P-C4' energy: -129.884
flat angles P-C4'-P energy: -90.080
tors. eta vs tors. theta energy: -163.622
Dist. restrs. and SS energy: 6.943 (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: 255
Temperature: 0.900000
Total energy: -2805.447572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.447572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.876759 (E_RNA)
where:
Base-Base interactions energy: -1988.353
where: short stacking energy: -854.362
Base-Backbone interact. energy: 0.545
local terms energy: -820.068510
where:
bonds (distance) C4'-P energy: -128.584
bonds (distance) P-C4' energy: -141.514
flat angles C4'-P-C4' energy: -173.882
flat angles P-C4'-P energy: -121.333
tors. eta vs tors. theta energy: -254.755
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: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2685.021953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.021953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.164332 (E_RNA)
where:
Base-Base interactions energy: -1881.857
where: short stacking energy: -800.241
Base-Backbone interact. energy: -3.093
local terms energy: -806.214092
where:
bonds (distance) C4'-P energy: -125.146
bonds (distance) P-C4' energy: -154.735
flat angles C4'-P-C4' energy: -177.421
flat angles P-C4'-P energy: -126.911
tors. eta vs tors. theta energy: -222.001
Dist. restrs. and SS energy: 6.142 (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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2584.720362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.720362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.276034 (E_RNA)
where:
Base-Base interactions energy: -1795.431
where: short stacking energy: -757.076
Base-Backbone interact. energy: -3.368
local terms energy: -794.477099
where:
bonds (distance) C4'-P energy: -146.273
bonds (distance) P-C4' energy: -139.404
flat angles C4'-P-C4' energy: -165.369
flat angles P-C4'-P energy: -110.745
tors. eta vs tors. theta energy: -232.686
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: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2558.050163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.050163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.069954 (E_RNA)
where:
Base-Base interactions energy: -1812.946
where: short stacking energy: -783.279
Base-Backbone interact. energy: -0.103
local terms energy: -749.020403
where:
bonds (distance) C4'-P energy: -124.265
bonds (distance) P-C4' energy: -118.466
flat angles C4'-P-C4' energy: -162.512
flat angles P-C4'-P energy: -104.728
tors. eta vs tors. theta energy: -239.050
Dist. restrs. and SS energy: 4.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2420.522424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.522424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.967240 (E_RNA)
where:
Base-Base interactions energy: -1709.192
where: short stacking energy: -717.122
Base-Backbone interact. energy: 0.872
local terms energy: -718.647624
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -108.364
flat angles C4'-P-C4' energy: -152.059
flat angles P-C4'-P energy: -102.242
tors. eta vs tors. theta energy: -215.610
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2405.234639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.234639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.144142 (E_RNA)
where:
Base-Base interactions energy: -1691.802
where: short stacking energy: -706.768
Base-Backbone interact. energy: -1.046
local terms energy: -719.296210
where:
bonds (distance) C4'-P energy: -120.949
bonds (distance) P-C4' energy: -151.303
flat angles C4'-P-C4' energy: -156.097
flat angles P-C4'-P energy: -84.899
tors. eta vs tors. theta energy: -206.047
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2276.606965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.606965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.231230 (E_RNA)
where:
Base-Base interactions energy: -1615.561
where: short stacking energy: -647.286
Base-Backbone interact. energy: -3.124
local terms energy: -663.546190
where:
bonds (distance) C4'-P energy: -123.350
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -142.643
flat angles P-C4'-P energy: -89.444
tors. eta vs tors. theta energy: -189.422
Dist. restrs. and SS energy: 5.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2200.318100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.318100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.252260 (E_RNA)
where:
Base-Base interactions energy: -1552.037
where: short stacking energy: -658.874
Base-Backbone interact. energy: -2.951
local terms energy: -658.263565
where:
bonds (distance) C4'-P energy: -119.726
bonds (distance) P-C4' energy: -118.847
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -95.838
tors. eta vs tors. theta energy: -191.062
Dist. restrs. and SS energy: 12.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -2101.576664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.576664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.304085 (E_RNA)
where:
Base-Base interactions energy: -1472.003
where: short stacking energy: -603.326
Base-Backbone interact. energy: 0.722
local terms energy: -645.023656
where:
bonds (distance) C4'-P energy: -109.138
bonds (distance) P-C4' energy: -121.568
flat angles C4'-P-C4' energy: -126.775
flat angles P-C4'-P energy: -103.432
tors. eta vs tors. theta energy: -184.110
Dist. restrs. and SS energy: 14.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -2003.536358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.536358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.066184 (E_RNA)
where:
Base-Base interactions energy: -1430.790
where: short stacking energy: -586.499
Base-Backbone interact. energy: -0.015
local terms energy: -589.261878
where:
bonds (distance) C4'-P energy: -113.175
bonds (distance) P-C4' energy: -102.973
flat angles C4'-P-C4' energy: -128.605
flat angles P-C4'-P energy: -76.471
tors. eta vs tors. theta energy: -168.038
Dist. restrs. and SS energy: 16.530 (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: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2795.937484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.937484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.893414 (E_RNA)
where:
Base-Base interactions energy: -1943.730
where: short stacking energy: -819.682
Base-Backbone interact. energy: -5.354
local terms energy: -851.808774
where:
bonds (distance) C4'-P energy: -151.773
bonds (distance) P-C4' energy: -156.432
flat angles C4'-P-C4' energy: -170.242
flat angles P-C4'-P energy: -129.462
tors. eta vs tors. theta energy: -243.899
Dist. restrs. and SS energy: 4.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2669.244911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.244911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.170087 (E_RNA)
where:
Base-Base interactions energy: -1860.140
where: short stacking energy: -779.900
Base-Backbone interact. energy: -4.446
local terms energy: -811.583764
where:
bonds (distance) C4'-P energy: -139.708
bonds (distance) P-C4' energy: -159.670
flat angles C4'-P-C4' energy: -165.825
flat angles P-C4'-P energy: -103.260
tors. eta vs tors. theta energy: -243.122
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2600.990203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.990203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.128224 (E_RNA)
where:
Base-Base interactions energy: -1825.219
where: short stacking energy: -776.483
Base-Backbone interact. energy: -5.452
local terms energy: -780.456657
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -135.664
flat angles C4'-P-C4' energy: -158.047
flat angles P-C4'-P energy: -115.197
tors. eta vs tors. theta energy: -230.492
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2545.669163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.669163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.311405 (E_RNA)
where:
Base-Base interactions energy: -1762.726
where: short stacking energy: -752.398
Base-Backbone interact. energy: -4.194
local terms energy: -782.391299
where:
bonds (distance) C4'-P energy: -130.536
bonds (distance) P-C4' energy: -148.019
flat angles C4'-P-C4' energy: -163.902
flat angles P-C4'-P energy: -108.369
tors. eta vs tors. theta energy: -231.566
Dist. restrs. and SS energy: 3.642 (S_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: 256
Temperature: 1.100000
Total energy: -2439.361849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.361849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.218221 (E_RNA)
where:
Base-Base interactions energy: -1715.808
where: short stacking energy: -703.073
Base-Backbone interact. energy: -0.495
local terms energy: -728.915283
where:
bonds (distance) C4'-P energy: -132.297
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -160.360
flat angles P-C4'-P energy: -103.079
tors. eta vs tors. theta energy: -207.999
Dist. restrs. and SS energy: 5.856 (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: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2381.627285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.627285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.839304 (E_RNA)
where:
Base-Base interactions energy: -1699.359
where: short stacking energy: -702.234
Base-Backbone interact. energy: 1.561
local terms energy: -687.041545
where:
bonds (distance) C4'-P energy: -115.645
bonds (distance) P-C4' energy: -117.571
flat angles C4'-P-C4' energy: -151.328
flat angles P-C4'-P energy: -89.844
tors. eta vs tors. theta energy: -212.654
Dist. restrs. and SS energy: 3.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2271.813519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.813519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.217160 (E_RNA)
where:
Base-Base interactions energy: -1613.297
where: short stacking energy: -668.846
Base-Backbone interact. energy: -2.534
local terms energy: -667.386240
where:
bonds (distance) C4'-P energy: -124.636
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -146.586
flat angles P-C4'-P energy: -89.084
tors. eta vs tors. theta energy: -204.143
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: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2198.325513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.325513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.829056 (E_RNA)
where:
Base-Base interactions energy: -1542.839
where: short stacking energy: -640.920
Base-Backbone interact. energy: -0.856
local terms energy: -661.133327
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -106.747
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -97.927
tors. eta vs tors. theta energy: -191.272
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: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -2141.349711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.349711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.707536 (E_RNA)
where:
Base-Base interactions energy: -1494.990
where: short stacking energy: -638.304
Base-Backbone interact. energy: -2.028
local terms energy: -659.689759
where:
bonds (distance) C4'-P energy: -109.111
bonds (distance) P-C4' energy: -130.710
flat angles C4'-P-C4' energy: -146.976
flat angles P-C4'-P energy: -88.161
tors. eta vs tors. theta energy: -184.732
Dist. restrs. and SS energy: 15.358 (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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -2090.642150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.642150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.732904 (E_RNA)
where:
Base-Base interactions energy: -1464.212
where: short stacking energy: -612.281
Base-Backbone interact. energy: -0.717
local terms energy: -640.804413
where:
bonds (distance) C4'-P energy: -108.980
bonds (distance) P-C4' energy: -108.224
flat angles C4'-P-C4' energy: -152.880
flat angles P-C4'-P energy: -84.252
tors. eta vs tors. theta energy: -186.467
Dist. restrs. and SS energy: 15.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2798.450069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.450069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.846136 (E_RNA)
where:
Base-Base interactions energy: -1945.260
where: short stacking energy: -822.747
Base-Backbone interact. energy: -3.029
local terms energy: -853.557453
where:
bonds (distance) C4'-P energy: -147.893
bonds (distance) P-C4' energy: -152.563
flat angles C4'-P-C4' energy: -173.933
flat angles P-C4'-P energy: -126.294
tors. eta vs tors. theta energy: -252.875
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2633.609727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.609727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.543522 (E_RNA)
where:
Base-Base interactions energy: -1882.623
where: short stacking energy: -790.656
Base-Backbone interact. energy: 0.498
local terms energy: -760.419375
where:
bonds (distance) C4'-P energy: -114.954
bonds (distance) P-C4' energy: -138.607
flat angles C4'-P-C4' energy: -165.192
flat angles P-C4'-P energy: -110.462
tors. eta vs tors. theta energy: -231.204
Dist. restrs. and SS energy: 8.934 (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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2605.706478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.706478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.028323 (E_RNA)
where:
Base-Base interactions energy: -1840.426
where: short stacking energy: -784.555
Base-Backbone interact. energy: -2.553
local terms energy: -769.048478
where:
bonds (distance) C4'-P energy: -130.396
bonds (distance) P-C4' energy: -137.571
flat angles C4'-P-C4' energy: -161.096
flat angles P-C4'-P energy: -100.456
tors. eta vs tors. theta energy: -239.530
Dist. restrs. and SS energy: 6.322 (S_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: -2557.138806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.138806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.622653 (E_RNA)
where:
Base-Base interactions energy: -1785.066
where: short stacking energy: -763.482
Base-Backbone interact. energy: -3.832
local terms energy: -771.724823
where:
bonds (distance) C4'-P energy: -131.413
bonds (distance) P-C4' energy: -143.815
flat angles C4'-P-C4' energy: -174.372
flat angles P-C4'-P energy: -103.350
tors. eta vs tors. theta energy: -218.776
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2429.245133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.245133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.122484 (E_RNA)
where:
Base-Base interactions energy: -1719.542
where: short stacking energy: -705.525
Base-Backbone interact. energy: -1.924
local terms energy: -714.656089
where:
bonds (distance) C4'-P energy: -144.363
bonds (distance) P-C4' energy: -119.429
flat angles C4'-P-C4' energy: -139.667
flat angles P-C4'-P energy: -102.361
tors. eta vs tors. theta energy: -208.835
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: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2407.424577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.424577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.140619 (E_RNA)
where:
Base-Base interactions energy: -1672.504
where: short stacking energy: -714.315
Base-Backbone interact. energy: -1.733
local terms energy: -738.904114
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -136.109
flat angles C4'-P-C4' energy: -152.130
flat angles P-C4'-P energy: -108.898
tors. eta vs tors. theta energy: -222.313
Dist. restrs. and SS energy: 5.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2279.427458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.427458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.102434 (E_RNA)
where:
Base-Base interactions energy: -1627.401
where: short stacking energy: -673.154
Base-Backbone interact. energy: -1.633
local terms energy: -658.068302
where:
bonds (distance) C4'-P energy: -119.928
bonds (distance) P-C4' energy: -99.026
flat angles C4'-P-C4' energy: -152.588
flat angles P-C4'-P energy: -89.824
tors. eta vs tors. theta energy: -196.703
Dist. restrs. and SS energy: 7.675 (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: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2227.016305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.016305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.885949 (E_RNA)
where:
Base-Base interactions energy: -1556.747
where: short stacking energy: -637.635
Base-Backbone interact. energy: -0.351
local terms energy: -676.787956
where:
bonds (distance) C4'-P energy: -122.180
bonds (distance) P-C4' energy: -136.893
flat angles C4'-P-C4' energy: -144.519
flat angles P-C4'-P energy: -90.547
tors. eta vs tors. theta energy: -182.649
Dist. restrs. and SS energy: 6.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -2106.693727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.693727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.553085 (E_RNA)
where:
Base-Base interactions energy: -1481.788
where: short stacking energy: -614.014
Base-Backbone interact. energy: -0.517
local terms energy: -639.247869
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -128.355
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -90.992
tors. eta vs tors. theta energy: -190.200
Dist. restrs. and SS energy: 14.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -2087.417420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.417420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.784903 (E_RNA)
where:
Base-Base interactions energy: -1469.853
where: short stacking energy: -607.331
Base-Backbone interact. energy: -0.117
local terms energy: -631.814843
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -102.893
flat angles C4'-P-C4' energy: -145.909
flat angles P-C4'-P energy: -81.425
tors. eta vs tors. theta energy: -192.060
Dist. restrs. and SS energy: 14.367 (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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2809.155545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.155545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.843559 (E_RNA)
where:
Base-Base interactions energy: -1965.354
where: short stacking energy: -839.654
Base-Backbone interact. energy: -3.101
local terms energy: -843.389325
where:
bonds (distance) C4'-P energy: -144.908
bonds (distance) P-C4' energy: -147.125
flat angles C4'-P-C4' energy: -171.053
flat angles P-C4'-P energy: -123.225
tors. eta vs tors. theta energy: -257.078
Dist. restrs. and SS energy: 2.688 (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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2670.726704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.726704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.782713 (E_RNA)
where:
Base-Base interactions energy: -1854.809
where: short stacking energy: -787.316
Base-Backbone interact. energy: -3.433
local terms energy: -818.540830
where:
bonds (distance) C4'-P energy: -130.035
bonds (distance) P-C4' energy: -156.585
flat angles C4'-P-C4' energy: -179.628
flat angles P-C4'-P energy: -105.157
tors. eta vs tors. theta energy: -247.137
Dist. restrs. and SS energy: 6.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2603.644224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.644224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.089996 (E_RNA)
where:
Base-Base interactions energy: -1828.277
where: short stacking energy: -748.438
Base-Backbone interact. energy: 0.953
local terms energy: -782.766395
where:
bonds (distance) C4'-P energy: -147.354
bonds (distance) P-C4' energy: -142.744
flat angles C4'-P-C4' energy: -162.032
flat angles P-C4'-P energy: -104.867
tors. eta vs tors. theta energy: -225.770
Dist. restrs. and SS energy: 6.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2548.841965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.841965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.652548 (E_RNA)
where:
Base-Base interactions energy: -1817.018
where: short stacking energy: -794.205
Base-Backbone interact. energy: -4.242
local terms energy: -730.392532
where:
bonds (distance) C4'-P energy: -111.346
bonds (distance) P-C4' energy: -121.350
flat angles C4'-P-C4' energy: -148.567
flat angles P-C4'-P energy: -114.419
tors. eta vs tors. theta energy: -234.711
Dist. restrs. and SS energy: 2.811 (S_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: 258
Temperature: 1.100000
Total energy: -2446.778764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.778764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.698246 (E_RNA)
where:
Base-Base interactions energy: -1719.738
where: short stacking energy: -738.278
Base-Backbone interact. energy: -3.265
local terms energy: -727.695310
where:
bonds (distance) C4'-P energy: -123.440
bonds (distance) P-C4' energy: -139.426
flat angles C4'-P-C4' energy: -156.587
flat angles P-C4'-P energy: -95.053
tors. eta vs tors. theta energy: -213.189
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: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2389.703479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.703479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.326387 (E_RNA)
where:
Base-Base interactions energy: -1658.666
where: short stacking energy: -712.362
Base-Backbone interact. energy: -0.774
local terms energy: -743.885848
where:
bonds (distance) C4'-P energy: -134.946
bonds (distance) P-C4' energy: -130.554
flat angles C4'-P-C4' energy: -157.972
flat angles P-C4'-P energy: -106.744
tors. eta vs tors. theta energy: -213.671
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2279.253741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.253741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.677136 (E_RNA)
where:
Base-Base interactions energy: -1607.812
where: short stacking energy: -669.876
Base-Backbone interact. energy: 5.773
local terms energy: -683.638076
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -136.298
flat angles P-C4'-P energy: -86.741
tors. eta vs tors. theta energy: -207.094
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: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2163.603750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.603750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.334551 (E_RNA)
where:
Base-Base interactions energy: -1534.322
where: short stacking energy: -629.276
Base-Backbone interact. energy: -3.737
local terms energy: -632.274867
where:
bonds (distance) C4'-P energy: -114.447
bonds (distance) P-C4' energy: -109.413
flat angles C4'-P-C4' energy: -143.388
flat angles P-C4'-P energy: -86.706
tors. eta vs tors. theta energy: -178.321
Dist. restrs. and SS energy: 6.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -2087.605001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.605001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.114731 (E_RNA)
where:
Base-Base interactions energy: -1456.971
where: short stacking energy: -604.239
Base-Backbone interact. energy: -0.214
local terms energy: -642.929181
where:
bonds (distance) C4'-P energy: -119.442
bonds (distance) P-C4' energy: -121.634
flat angles C4'-P-C4' energy: -134.243
flat angles P-C4'-P energy: -83.573
tors. eta vs tors. theta energy: -184.038
Dist. restrs. and SS energy: 12.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -2039.967445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.967445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.437522 (E_RNA)
where:
Base-Base interactions energy: -1428.677
where: short stacking energy: -608.996
Base-Backbone interact. energy: 0.007
local terms energy: -619.768017
where:
bonds (distance) C4'-P energy: -105.053
bonds (distance) P-C4' energy: -110.755
flat angles C4'-P-C4' energy: -151.456
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -169.322
Dist. restrs. and SS energy: 8.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2790.526513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.526513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.511254 (E_RNA)
where:
Base-Base interactions energy: -1944.644
where: short stacking energy: -829.641
Base-Backbone interact. energy: -3.641
local terms energy: -844.225861
where:
bonds (distance) C4'-P energy: -150.472
bonds (distance) P-C4' energy: -143.919
flat angles C4'-P-C4' energy: -174.862
flat angles P-C4'-P energy: -117.075
tors. eta vs tors. theta energy: -257.898
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2668.819866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.819866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.682169 (E_RNA)
where:
Base-Base interactions energy: -1847.649
where: short stacking energy: -764.679
Base-Backbone interact. energy: -3.834
local terms energy: -822.199337
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -156.022
flat angles C4'-P-C4' energy: -173.923
flat angles P-C4'-P energy: -113.347
tors. eta vs tors. theta energy: -237.107
Dist. restrs. and SS energy: 4.862 (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: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2591.445038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.445038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.931247 (E_RNA)
where:
Base-Base interactions energy: -1830.206
where: short stacking energy: -766.520
Base-Backbone interact. energy: -3.549
local terms energy: -768.175855
where:
bonds (distance) C4'-P energy: -126.794
bonds (distance) P-C4' energy: -141.663
flat angles C4'-P-C4' energy: -155.702
flat angles P-C4'-P energy: -113.249
tors. eta vs tors. theta energy: -230.768
Dist. restrs. and SS energy: 10.486 (S_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: 259
Temperature: 1.050000
Total energy: -2549.118459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.118459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.069051 (E_RNA)
where:
Base-Base interactions energy: -1786.898
where: short stacking energy: -756.434
Base-Backbone interact. energy: -6.195
local terms energy: -758.975644
where:
bonds (distance) C4'-P energy: -135.132
bonds (distance) P-C4' energy: -130.554
flat angles C4'-P-C4' energy: -162.508
flat angles P-C4'-P energy: -94.073
tors. eta vs tors. theta energy: -236.709
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: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2452.006407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.006407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.403282 (E_RNA)
where:
Base-Base interactions energy: -1752.869
where: short stacking energy: -733.662
Base-Backbone interact. energy: 5.008
local terms energy: -709.542313
where:
bonds (distance) C4'-P energy: -121.794
bonds (distance) P-C4' energy: -112.360
flat angles C4'-P-C4' energy: -169.160
flat angles P-C4'-P energy: -98.013
tors. eta vs tors. theta energy: -208.216
Dist. restrs. and SS energy: 5.397 (S_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: 259
Temperature: 1.150000
Total energy: -2355.604497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.604497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.665238 (E_RNA)
where:
Base-Base interactions energy: -1659.655
where: short stacking energy: -694.284
Base-Backbone interact. energy: -0.262
local terms energy: -703.747776
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -160.709
flat angles P-C4'-P energy: -98.219
tors. eta vs tors. theta energy: -200.896
Dist. restrs. and SS energy: 8.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2312.866151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.866151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.778099 (E_RNA)
where:
Base-Base interactions energy: -1637.527
where: short stacking energy: -708.889
Base-Backbone interact. energy: 0.248
local terms energy: -688.499496
where:
bonds (distance) C4'-P energy: -110.910
bonds (distance) P-C4' energy: -135.628
flat angles C4'-P-C4' energy: -147.647
flat angles P-C4'-P energy: -85.728
tors. eta vs tors. theta energy: -208.586
Dist. restrs. and SS energy: 12.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2137.610416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.610416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.426167 (E_RNA)
where:
Base-Base interactions energy: -1498.337
where: short stacking energy: -633.699
Base-Backbone interact. energy: -1.087
local terms energy: -651.002132
where:
bonds (distance) C4'-P energy: -124.717
bonds (distance) P-C4' energy: -101.746
flat angles C4'-P-C4' energy: -145.324
flat angles P-C4'-P energy: -86.452
tors. eta vs tors. theta energy: -192.764
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: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -2115.253932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.253932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.337720 (E_RNA)
where:
Base-Base interactions energy: -1539.353
where: short stacking energy: -614.020
Base-Backbone interact. energy: -2.735
local terms energy: -579.249955
where:
bonds (distance) C4'-P energy: -112.257
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -121.301
flat angles P-C4'-P energy: -87.976
tors. eta vs tors. theta energy: -166.245
Dist. restrs. and SS energy: 6.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -2033.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.980429 (E_RNA)
where:
Base-Base interactions energy: -1453.294
where: short stacking energy: -576.797
Base-Backbone interact. energy: 1.956
local terms energy: -594.642748
where:
bonds (distance) C4'-P energy: -91.093
bonds (distance) P-C4' energy: -109.022
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -76.682
tors. eta vs tors. theta energy: -178.981
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: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2787.386008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.386008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.911977 (E_RNA)
where:
Base-Base interactions energy: -1951.796
where: short stacking energy: -833.402
Base-Backbone interact. energy: -2.447
local terms energy: -836.669071
where:
bonds (distance) C4'-P energy: -132.338
bonds (distance) P-C4' energy: -145.419
flat angles C4'-P-C4' energy: -179.509
flat angles P-C4'-P energy: -120.375
tors. eta vs tors. theta energy: -259.027
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2618.274160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.274160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.431973 (E_RNA)
where:
Base-Base interactions energy: -1852.140
where: short stacking energy: -764.035
Base-Backbone interact. energy: -1.261
local terms energy: -773.031667
where:
bonds (distance) C4'-P energy: -128.379
bonds (distance) P-C4' energy: -140.884
flat angles C4'-P-C4' energy: -163.573
flat angles P-C4'-P energy: -119.702
tors. eta vs tors. theta energy: -220.495
Dist. restrs. and SS energy: 8.158 (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: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2582.840657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.840657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.695173 (E_RNA)
where:
Base-Base interactions energy: -1826.145
where: short stacking energy: -748.002
Base-Backbone interact. energy: -3.875
local terms energy: -759.675109
where:
bonds (distance) C4'-P energy: -133.332
bonds (distance) P-C4' energy: -146.786
flat angles C4'-P-C4' energy: -148.562
flat angles P-C4'-P energy: -102.450
tors. eta vs tors. theta energy: -228.545
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: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2531.612721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.612721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.271476 (E_RNA)
where:
Base-Base interactions energy: -1785.176
where: short stacking energy: -772.191
Base-Backbone interact. energy: -1.991
local terms energy: -749.104098
where:
bonds (distance) C4'-P energy: -116.815
bonds (distance) P-C4' energy: -138.728
flat angles C4'-P-C4' energy: -168.396
flat angles P-C4'-P energy: -101.512
tors. eta vs tors. theta energy: -223.653
Dist. restrs. and SS energy: 4.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2426.517440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.517440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.949370 (E_RNA)
where:
Base-Base interactions energy: -1710.142
where: short stacking energy: -737.564
Base-Backbone interact. energy: -4.615
local terms energy: -717.191827
where:
bonds (distance) C4'-P energy: -113.751
bonds (distance) P-C4' energy: -148.719
flat angles C4'-P-C4' energy: -145.971
flat angles P-C4'-P energy: -104.889
tors. eta vs tors. theta energy: -203.861
Dist. restrs. and SS energy: 5.432 (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: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2334.314329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.314329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.520046 (E_RNA)
where:
Base-Base interactions energy: -1626.748
where: short stacking energy: -676.418
Base-Backbone interact. energy: -1.211
local terms energy: -711.560995
where:
bonds (distance) C4'-P energy: -121.431
bonds (distance) P-C4' energy: -135.398
flat angles C4'-P-C4' energy: -157.656
flat angles P-C4'-P energy: -99.983
tors. eta vs tors. theta energy: -197.094
Dist. restrs. and SS energy: 5.206 (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: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2310.698525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.698525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.869386 (E_RNA)
where:
Base-Base interactions energy: -1641.490
where: short stacking energy: -696.272
Base-Backbone interact. energy: 1.534
local terms energy: -683.913560
where:
bonds (distance) C4'-P energy: -111.805
bonds (distance) P-C4' energy: -127.915
flat angles C4'-P-C4' energy: -148.580
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -193.109
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: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2191.183066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.183066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.771248 (E_RNA)
where:
Base-Base interactions energy: -1529.564
where: short stacking energy: -618.237
Base-Backbone interact. energy: -1.058
local terms energy: -672.149117
where:
bonds (distance) C4'-P energy: -118.553
bonds (distance) P-C4' energy: -128.443
flat angles C4'-P-C4' energy: -143.467
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -191.183
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: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -2096.820984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.820984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.499942 (E_RNA)
where:
Base-Base interactions energy: -1504.790
where: short stacking energy: -608.041
Base-Backbone interact. energy: -1.153
local terms energy: -599.556822
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -102.325
flat angles C4'-P-C4' energy: -126.950
flat angles P-C4'-P energy: -91.161
tors. eta vs tors. theta energy: -180.949
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: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -2090.833133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.833133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.967982 (E_RNA)
where:
Base-Base interactions energy: -1502.826
where: short stacking energy: -642.427
Base-Backbone interact. energy: -0.183
local terms energy: -601.959177
where:
bonds (distance) C4'-P energy: -89.598
bonds (distance) P-C4' energy: -111.127
flat angles C4'-P-C4' energy: -127.515
flat angles P-C4'-P energy: -77.243
tors. eta vs tors. theta energy: -196.476
Dist. restrs. and SS energy: 14.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2814.972607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.972607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.213787 (E_RNA)
where:
Base-Base interactions energy: -1959.934
where: short stacking energy: -820.564
Base-Backbone interact. energy: -0.953
local terms energy: -856.327246
where:
bonds (distance) C4'-P energy: -141.467
bonds (distance) P-C4' energy: -153.988
flat angles C4'-P-C4' energy: -178.904
flat angles P-C4'-P energy: -129.512
tors. eta vs tors. theta energy: -252.457
Dist. restrs. and SS energy: 2.241 (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: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2636.102779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.102779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.840301 (E_RNA)
where:
Base-Base interactions energy: -1834.742
where: short stacking energy: -788.396
Base-Backbone interact. energy: -4.177
local terms energy: -805.920998
where:
bonds (distance) C4'-P energy: -131.602
bonds (distance) P-C4' energy: -145.883
flat angles C4'-P-C4' energy: -173.382
flat angles P-C4'-P energy: -121.912
tors. eta vs tors. theta energy: -233.142
Dist. restrs. and SS energy: 8.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2595.752330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.398838 (E_RNA)
where:
Base-Base interactions energy: -1808.056
where: short stacking energy: -769.558
Base-Backbone interact. energy: -3.854
local terms energy: -794.488831
where:
bonds (distance) C4'-P energy: -136.320
bonds (distance) P-C4' energy: -136.513
flat angles C4'-P-C4' energy: -162.732
flat angles P-C4'-P energy: -120.882
tors. eta vs tors. theta energy: -238.043
Dist. restrs. and SS energy: 10.647 (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: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2548.018545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.018545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.327189 (E_RNA)
where:
Base-Base interactions energy: -1787.218
where: short stacking energy: -751.030
Base-Backbone interact. energy: 0.774
local terms energy: -764.883588
where:
bonds (distance) C4'-P energy: -121.130
bonds (distance) P-C4' energy: -155.076
flat angles C4'-P-C4' energy: -158.777
flat angles P-C4'-P energy: -107.225
tors. eta vs tors. theta energy: -222.676
Dist. restrs. and SS energy: 3.309 (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: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2440.221967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.221967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.970289 (E_RNA)
where:
Base-Base interactions energy: -1714.100
where: short stacking energy: -709.394
Base-Backbone interact. energy: -0.863
local terms energy: -729.007007
where:
bonds (distance) C4'-P energy: -133.012
bonds (distance) P-C4' energy: -141.698
flat angles C4'-P-C4' energy: -146.904
flat angles P-C4'-P energy: -98.024
tors. eta vs tors. theta energy: -209.370
Dist. restrs. and SS energy: 3.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2371.062827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.062827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.873439 (E_RNA)
where:
Base-Base interactions energy: -1669.900
where: short stacking energy: -707.208
Base-Backbone interact. energy: 1.216
local terms energy: -709.189357
where:
bonds (distance) C4'-P energy: -129.783
bonds (distance) P-C4' energy: -107.601
flat angles C4'-P-C4' energy: -165.790
flat angles P-C4'-P energy: -93.554
tors. eta vs tors. theta energy: -212.461
Dist. restrs. and SS energy: 6.811 (S_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: 261
Temperature: 1.200000
Total energy: -2285.149749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.149749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.925103 (E_RNA)
where:
Base-Base interactions energy: -1603.587
where: short stacking energy: -657.392
Base-Backbone interact. energy: 0.672
local terms energy: -695.009659
where:
bonds (distance) C4'-P energy: -123.790
bonds (distance) P-C4' energy: -120.857
flat angles C4'-P-C4' energy: -153.746
flat angles P-C4'-P energy: -95.849
tors. eta vs tors. theta energy: -200.767
Dist. restrs. and SS energy: 12.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2199.824145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.824145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.713110 (E_RNA)
where:
Base-Base interactions energy: -1580.612
where: short stacking energy: -652.011
Base-Backbone interact. energy: -1.053
local terms energy: -640.048486
where:
bonds (distance) C4'-P energy: -123.001
bonds (distance) P-C4' energy: -115.098
flat angles C4'-P-C4' energy: -136.800
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -181.373
Dist. restrs. and SS energy: 21.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -2084.186049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.186049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.356585 (E_RNA)
where:
Base-Base interactions energy: -1470.896
where: short stacking energy: -598.074
Base-Backbone interact. energy: -3.458
local terms energy: -617.002865
where:
bonds (distance) C4'-P energy: -116.811
bonds (distance) P-C4' energy: -125.099
flat angles C4'-P-C4' energy: -116.407
flat angles P-C4'-P energy: -87.468
tors. eta vs tors. theta energy: -171.219
Dist. restrs. and SS energy: 7.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -2069.854522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.854522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.075821 (E_RNA)
where:
Base-Base interactions energy: -1466.249
where: short stacking energy: -580.796
Base-Backbone interact. energy: 1.867
local terms energy: -613.693471
where:
bonds (distance) C4'-P energy: -115.847
bonds (distance) P-C4' energy: -88.945
flat angles C4'-P-C4' energy: -132.105
flat angles P-C4'-P energy: -90.616
tors. eta vs tors. theta energy: -186.180
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: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2795.095737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.095737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.420880 (E_RNA)
where:
Base-Base interactions energy: -1981.601
where: short stacking energy: -837.747
Base-Backbone interact. energy: 0.828
local terms energy: -818.648033
where:
bonds (distance) C4'-P energy: -146.423
bonds (distance) P-C4' energy: -143.508
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -116.715
tors. eta vs tors. theta energy: -247.575
Dist. restrs. and SS energy: 4.325 (S_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: 262
Temperature: 0.950000
Total energy: -2635.638164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.638164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.328747 (E_RNA)
where:
Base-Base interactions energy: -1819.452
where: short stacking energy: -782.791
Base-Backbone interact. energy: -3.920
local terms energy: -820.956730
where:
bonds (distance) C4'-P energy: -151.091
bonds (distance) P-C4' energy: -142.369
flat angles C4'-P-C4' energy: -175.281
flat angles P-C4'-P energy: -121.275
tors. eta vs tors. theta energy: -230.941
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2561.521917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.521917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.698399 (E_RNA)
where:
Base-Base interactions energy: -1811.366
where: short stacking energy: -762.819
Base-Backbone interact. energy: -4.681
local terms energy: -748.650872
where:
bonds (distance) C4'-P energy: -116.976
bonds (distance) P-C4' energy: -122.727
flat angles C4'-P-C4' energy: -173.573
flat angles P-C4'-P energy: -114.880
tors. eta vs tors. theta energy: -220.494
Dist. restrs. and SS energy: 3.176 (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: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2503.443366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.443366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.827068 (E_RNA)
where:
Base-Base interactions energy: -1738.650
where: short stacking energy: -748.745
Base-Backbone interact. energy: -1.647
local terms energy: -769.530565
where:
bonds (distance) C4'-P energy: -132.005
bonds (distance) P-C4' energy: -139.001
flat angles C4'-P-C4' energy: -165.411
flat angles P-C4'-P energy: -101.102
tors. eta vs tors. theta energy: -232.012
Dist. restrs. and SS energy: 6.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2395.785466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.785466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.398284 (E_RNA)
where:
Base-Base interactions energy: -1695.871
where: short stacking energy: -724.550
Base-Backbone interact. energy: 2.021
local terms energy: -711.548240
where:
bonds (distance) C4'-P energy: -115.742
bonds (distance) P-C4' energy: -135.795
flat angles C4'-P-C4' energy: -163.099
flat angles P-C4'-P energy: -87.623
tors. eta vs tors. theta energy: -209.290
Dist. restrs. and SS energy: 9.613 (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: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2355.319350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.319350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.500469 (E_RNA)
where:
Base-Base interactions energy: -1648.019
where: short stacking energy: -694.237
Base-Backbone interact. energy: 0.278
local terms energy: -712.759450
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -136.259
flat angles C4'-P-C4' energy: -147.493
flat angles P-C4'-P energy: -109.660
tors. eta vs tors. theta energy: -205.300
Dist. restrs. and SS energy: 5.181 (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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2321.922578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.922578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.720804 (E_RNA)
where:
Base-Base interactions energy: -1634.479
where: short stacking energy: -663.963
Base-Backbone interact. energy: 4.461
local terms energy: -700.702938
where:
bonds (distance) C4'-P energy: -108.602
bonds (distance) P-C4' energy: -141.494
flat angles C4'-P-C4' energy: -154.997
flat angles P-C4'-P energy: -101.406
tors. eta vs tors. theta energy: -194.204
Dist. restrs. and SS energy: 8.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2168.352179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.352179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.164989 (E_RNA)
where:
Base-Base interactions energy: -1518.441
where: short stacking energy: -621.705
Base-Backbone interact. energy: -0.078
local terms energy: -663.646072
where:
bonds (distance) C4'-P energy: -110.823
bonds (distance) P-C4' energy: -122.174
flat angles C4'-P-C4' energy: -140.236
flat angles P-C4'-P energy: -96.444
tors. eta vs tors. theta energy: -193.968
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: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -2113.024409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.024409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.782909 (E_RNA)
where:
Base-Base interactions energy: -1477.755
where: short stacking energy: -618.550
Base-Backbone interact. energy: -1.339
local terms energy: -642.688611
where:
bonds (distance) C4'-P energy: -96.252
bonds (distance) P-C4' energy: -123.569
flat angles C4'-P-C4' energy: -138.162
flat angles P-C4'-P energy: -103.538
tors. eta vs tors. theta energy: -181.168
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: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -2004.320831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.320831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.937286 (E_RNA)
where:
Base-Base interactions energy: -1436.739
where: short stacking energy: -555.038
Base-Backbone interact. energy: 5.663
local terms energy: -585.861537
where:
bonds (distance) C4'-P energy: -97.218
bonds (distance) P-C4' energy: -119.516
flat angles C4'-P-C4' energy: -134.373
flat angles P-C4'-P energy: -80.715
tors. eta vs tors. theta energy: -154.040
Dist. restrs. and SS energy: 12.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2788.892349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.892349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.708951 (E_RNA)
where:
Base-Base interactions energy: -1930.479
where: short stacking energy: -851.266
Base-Backbone interact. energy: -2.259
local terms energy: -858.970625
where:
bonds (distance) C4'-P energy: -144.901
bonds (distance) P-C4' energy: -155.319
flat angles C4'-P-C4' energy: -172.927
flat angles P-C4'-P energy: -127.571
tors. eta vs tors. theta energy: -258.253
Dist. restrs. and SS energy: 2.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2625.435083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.435083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.141961 (E_RNA)
where:
Base-Base interactions energy: -1834.766
where: short stacking energy: -756.643
Base-Backbone interact. energy: -3.350
local terms energy: -796.025563
where:
bonds (distance) C4'-P energy: -137.337
bonds (distance) P-C4' energy: -145.575
flat angles C4'-P-C4' energy: -171.777
flat angles P-C4'-P energy: -104.479
tors. eta vs tors. theta energy: -236.858
Dist. restrs. and SS energy: 8.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2626.509168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.509168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.392954 (E_RNA)
where:
Base-Base interactions energy: -1851.489
where: short stacking energy: -778.507
Base-Backbone interact. energy: -4.097
local terms energy: -774.807116
where:
bonds (distance) C4'-P energy: -123.653
bonds (distance) P-C4' energy: -148.270
flat angles C4'-P-C4' energy: -165.357
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -229.041
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2518.710499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.710499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.529664 (E_RNA)
where:
Base-Base interactions energy: -1754.064
where: short stacking energy: -735.809
Base-Backbone interact. energy: -2.373
local terms energy: -777.093046
where:
bonds (distance) C4'-P energy: -141.120
bonds (distance) P-C4' energy: -141.579
flat angles C4'-P-C4' energy: -162.541
flat angles P-C4'-P energy: -99.032
tors. eta vs tors. theta energy: -232.820
Dist. restrs. and SS energy: 14.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2409.011827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.988914 (E_RNA)
where:
Base-Base interactions energy: -1726.041
where: short stacking energy: -766.978
Base-Backbone interact. energy: -1.577
local terms energy: -690.371067
where:
bonds (distance) C4'-P energy: -115.523
bonds (distance) P-C4' energy: -124.755
flat angles C4'-P-C4' energy: -149.001
flat angles P-C4'-P energy: -84.323
tors. eta vs tors. theta energy: -216.769
Dist. restrs. and SS energy: 8.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2385.575789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.575789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.602751 (E_RNA)
where:
Base-Base interactions energy: -1697.566
where: short stacking energy: -708.452
Base-Backbone interact. energy: -2.693
local terms energy: -691.343549
where:
bonds (distance) C4'-P energy: -124.077
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -144.852
flat angles P-C4'-P energy: -97.651
tors. eta vs tors. theta energy: -195.935
Dist. restrs. and SS energy: 6.027 (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: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2314.014011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.014011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.900629 (E_RNA)
where:
Base-Base interactions energy: -1627.844
where: short stacking energy: -681.061
Base-Backbone interact. energy: -2.722
local terms energy: -686.335315
where:
bonds (distance) C4'-P energy: -123.771
bonds (distance) P-C4' energy: -127.977
flat angles C4'-P-C4' energy: -137.722
flat angles P-C4'-P energy: -90.523
tors. eta vs tors. theta energy: -206.342
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2235.257631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.257631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.492131 (E_RNA)
where:
Base-Base interactions energy: -1584.819
where: short stacking energy: -678.105
Base-Backbone interact. energy: -2.402
local terms energy: -657.271217
where:
bonds (distance) C4'-P energy: -109.786
bonds (distance) P-C4' energy: -99.693
flat angles C4'-P-C4' energy: -133.879
flat angles P-C4'-P energy: -105.425
tors. eta vs tors. theta energy: -208.488
Dist. restrs. and SS energy: 9.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -2139.089877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.089877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.835145 (E_RNA)
where:
Base-Base interactions energy: -1516.047
where: short stacking energy: -633.693
Base-Backbone interact. energy: -4.344
local terms energy: -632.444741
where:
bonds (distance) C4'-P energy: -105.667
bonds (distance) P-C4' energy: -127.958
flat angles C4'-P-C4' energy: -138.736
flat angles P-C4'-P energy: -79.166
tors. eta vs tors. theta energy: -180.918
Dist. restrs. and SS energy: 13.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1993.058655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.058655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.374980 (E_RNA)
where:
Base-Base interactions energy: -1418.015
where: short stacking energy: -569.488
Base-Backbone interact. energy: -5.657
local terms energy: -582.702146
where:
bonds (distance) C4'-P energy: -130.983
bonds (distance) P-C4' energy: -92.672
flat angles C4'-P-C4' energy: -126.585
flat angles P-C4'-P energy: -80.541
tors. eta vs tors. theta energy: -151.920
Dist. restrs. and SS energy: 13.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2780.913509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.913509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.356386 (E_RNA)
where:
Base-Base interactions energy: -1926.103
where: short stacking energy: -829.475
Base-Backbone interact. energy: -4.899
local terms energy: -853.354725
where:
bonds (distance) C4'-P energy: -145.461
bonds (distance) P-C4' energy: -144.913
flat angles C4'-P-C4' energy: -183.245
flat angles P-C4'-P energy: -120.918
tors. eta vs tors. theta energy: -258.818
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: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2640.490275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.490275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.617502 (E_RNA)
where:
Base-Base interactions energy: -1844.686
where: short stacking energy: -773.881
Base-Backbone interact. energy: -2.916
local terms energy: -800.015262
where:
bonds (distance) C4'-P energy: -144.745
bonds (distance) P-C4' energy: -146.302
flat angles C4'-P-C4' energy: -162.567
flat angles P-C4'-P energy: -106.072
tors. eta vs tors. theta energy: -240.330
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2644.548248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.548248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.666004 (E_RNA)
where:
Base-Base interactions energy: -1874.215
where: short stacking energy: -802.497
Base-Backbone interact. energy: -2.864
local terms energy: -775.586818
where:
bonds (distance) C4'-P energy: -130.668
bonds (distance) P-C4' energy: -131.365
flat angles C4'-P-C4' energy: -165.424
flat angles P-C4'-P energy: -108.263
tors. eta vs tors. theta energy: -239.866
Dist. restrs. and SS energy: 8.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2537.314829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.314829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.526809 (E_RNA)
where:
Base-Base interactions energy: -1784.330
where: short stacking energy: -739.920
Base-Backbone interact. energy: -2.076
local terms energy: -759.120723
where:
bonds (distance) C4'-P energy: -127.466
bonds (distance) P-C4' energy: -148.309
flat angles C4'-P-C4' energy: -152.826
flat angles P-C4'-P energy: -105.446
tors. eta vs tors. theta energy: -225.073
Dist. restrs. and SS energy: 8.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2417.325853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.325853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.719720 (E_RNA)
where:
Base-Base interactions energy: -1720.239
where: short stacking energy: -735.930
Base-Backbone interact. energy: -5.818
local terms energy: -701.662273
where:
bonds (distance) C4'-P energy: -111.736
bonds (distance) P-C4' energy: -127.042
flat angles C4'-P-C4' energy: -149.917
flat angles P-C4'-P energy: -98.156
tors. eta vs tors. theta energy: -214.811
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: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2402.895865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.895865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.211906 (E_RNA)
where:
Base-Base interactions energy: -1697.630
where: short stacking energy: -723.905
Base-Backbone interact. energy: -2.342
local terms energy: -707.240435
where:
bonds (distance) C4'-P energy: -110.746
bonds (distance) P-C4' energy: -120.006
flat angles C4'-P-C4' energy: -153.673
flat angles P-C4'-P energy: -102.815
tors. eta vs tors. theta energy: -220.001
Dist. restrs. and SS energy: 4.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2252.907156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.907156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.642223 (E_RNA)
where:
Base-Base interactions energy: -1575.462
where: short stacking energy: -670.008
Base-Backbone interact. energy: 7.647
local terms energy: -694.826679
where:
bonds (distance) C4'-P energy: -135.691
bonds (distance) P-C4' energy: -133.877
flat angles C4'-P-C4' energy: -134.889
flat angles P-C4'-P energy: -99.144
tors. eta vs tors. theta energy: -191.227
Dist. restrs. and SS energy: 9.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2217.648606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.648606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.355325 (E_RNA)
where:
Base-Base interactions energy: -1576.553
where: short stacking energy: -669.499
Base-Backbone interact. energy: -1.256
local terms energy: -648.547032
where:
bonds (distance) C4'-P energy: -121.756
bonds (distance) P-C4' energy: -91.903
flat angles C4'-P-C4' energy: -151.070
flat angles P-C4'-P energy: -92.020
tors. eta vs tors. theta energy: -191.798
Dist. restrs. and SS energy: 8.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -2043.921104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.921104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.304849 (E_RNA)
where:
Base-Base interactions energy: -1430.195
where: short stacking energy: -589.040
Base-Backbone interact. energy: -3.113
local terms energy: -623.996494
where:
bonds (distance) C4'-P energy: -123.756
bonds (distance) P-C4' energy: -116.824
flat angles C4'-P-C4' energy: -138.466
flat angles P-C4'-P energy: -82.065
tors. eta vs tors. theta energy: -162.886
Dist. restrs. and SS energy: 13.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -2086.935806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.935806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.067485 (E_RNA)
where:
Base-Base interactions energy: -1482.262
where: short stacking energy: -626.826
Base-Backbone interact. energy: -0.067
local terms energy: -613.738075
where:
bonds (distance) C4'-P energy: -92.894
bonds (distance) P-C4' energy: -134.427
flat angles C4'-P-C4' energy: -144.347
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -162.579
Dist. restrs. and SS energy: 9.132 (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: 265
Temperature: 0.900000
Total energy: -2770.756342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.756342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.622615 (E_RNA)
where:
Base-Base interactions energy: -1937.235
where: short stacking energy: -822.732
Base-Backbone interact. energy: -2.455
local terms energy: -834.932130
where:
bonds (distance) C4'-P energy: -129.980
bonds (distance) P-C4' energy: -146.497
flat angles C4'-P-C4' energy: -172.952
flat angles P-C4'-P energy: -131.263
tors. eta vs tors. theta energy: -254.239
Dist. restrs. and SS energy: 3.866 (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: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2713.970228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.126547 (E_RNA)
where:
Base-Base interactions energy: -1873.520
where: short stacking energy: -780.614
Base-Backbone interact. energy: -0.603
local terms energy: -842.003555
where:
bonds (distance) C4'-P energy: -144.930
bonds (distance) P-C4' energy: -159.671
flat angles C4'-P-C4' energy: -165.041
flat angles P-C4'-P energy: -129.732
tors. eta vs tors. theta energy: -242.630
Dist. restrs. and SS energy: 2.156 (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: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2570.300544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.300544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.990142 (E_RNA)
where:
Base-Base interactions energy: -1804.166
where: short stacking energy: -773.033
Base-Backbone interact. energy: 10.145
local terms energy: -783.969032
where:
bonds (distance) C4'-P energy: -138.960
bonds (distance) P-C4' energy: -148.465
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -109.206
tors. eta vs tors. theta energy: -228.124
Dist. restrs. and SS energy: 7.690 (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: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2485.738017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.738017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.669823 (E_RNA)
where:
Base-Base interactions energy: -1734.728
where: short stacking energy: -739.453
Base-Backbone interact. energy: 2.334
local terms energy: -761.276251
where:
bonds (distance) C4'-P energy: -136.626
bonds (distance) P-C4' energy: -141.641
flat angles C4'-P-C4' energy: -157.150
flat angles P-C4'-P energy: -103.655
tors. eta vs tors. theta energy: -222.204
Dist. restrs. and SS energy: 7.932 (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: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2405.462635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.462635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.406132 (E_RNA)
where:
Base-Base interactions energy: -1683.324
where: short stacking energy: -737.048
Base-Backbone interact. energy: -1.354
local terms energy: -737.727618
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -138.161
flat angles C4'-P-C4' energy: -151.665
flat angles P-C4'-P energy: -102.496
tors. eta vs tors. theta energy: -230.352
Dist. restrs. and SS energy: 16.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2415.131748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.801155 (E_RNA)
where:
Base-Base interactions energy: -1693.966
where: short stacking energy: -711.764
Base-Backbone interact. energy: -1.343
local terms energy: -733.491438
where:
bonds (distance) C4'-P energy: -123.775
bonds (distance) P-C4' energy: -125.826
flat angles C4'-P-C4' energy: -151.600
flat angles P-C4'-P energy: -115.778
tors. eta vs tors. theta energy: -216.512
Dist. restrs. and SS energy: 13.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2310.929266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.929266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.632839 (E_RNA)
where:
Base-Base interactions energy: -1636.207
where: short stacking energy: -674.626
Base-Backbone interact. energy: -1.467
local terms energy: -681.958605
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -122.118
flat angles C4'-P-C4' energy: -155.030
flat angles P-C4'-P energy: -95.185
tors. eta vs tors. theta energy: -194.601
Dist. restrs. and SS energy: 8.704 (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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2260.945346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.945346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.899681 (E_RNA)
where:
Base-Base interactions energy: -1584.468
where: short stacking energy: -647.847
Base-Backbone interact. energy: 0.115
local terms energy: -679.546774
where:
bonds (distance) C4'-P energy: -125.959
bonds (distance) P-C4' energy: -114.106
flat angles C4'-P-C4' energy: -152.919
flat angles P-C4'-P energy: -93.431
tors. eta vs tors. theta energy: -193.132
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: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2100.551346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.551346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.018858 (E_RNA)
where:
Base-Base interactions energy: -1471.710
where: short stacking energy: -626.669
Base-Backbone interact. energy: 0.834
local terms energy: -643.142622
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -132.412
flat angles C4'-P-C4' energy: -143.550
flat angles P-C4'-P energy: -96.732
tors. eta vs tors. theta energy: -178.285
Dist. restrs. and SS energy: 13.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -2066.551765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.551765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.934082 (E_RNA)
where:
Base-Base interactions energy: -1503.283
where: short stacking energy: -600.424
Base-Backbone interact. energy: -2.929
local terms energy: -580.722615
where:
bonds (distance) C4'-P energy: -115.553
bonds (distance) P-C4' energy: -101.699
flat angles C4'-P-C4' energy: -120.672
flat angles P-C4'-P energy: -85.703
tors. eta vs tors. theta energy: -157.096
Dist. restrs. and SS energy: 20.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2817.440161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.440161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.077792 (E_RNA)
where:
Base-Base interactions energy: -1960.473
where: short stacking energy: -835.071
Base-Backbone interact. energy: -1.329
local terms energy: -859.275865
where:
bonds (distance) C4'-P energy: -157.419
bonds (distance) P-C4' energy: -140.178
flat angles C4'-P-C4' energy: -181.447
flat angles P-C4'-P energy: -123.126
tors. eta vs tors. theta energy: -257.106
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2673.903969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.903969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.595894 (E_RNA)
where:
Base-Base interactions energy: -1893.297
where: short stacking energy: -824.975
Base-Backbone interact. energy: -3.474
local terms energy: -782.824657
where:
bonds (distance) C4'-P energy: -131.850
bonds (distance) P-C4' energy: -121.750
flat angles C4'-P-C4' energy: -168.747
flat angles P-C4'-P energy: -113.805
tors. eta vs tors. theta energy: -246.672
Dist. restrs. and SS energy: 5.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2560.697156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.697156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.128333 (E_RNA)
where:
Base-Base interactions energy: -1770.220
where: short stacking energy: -758.223
Base-Backbone interact. energy: -3.753
local terms energy: -793.155577
where:
bonds (distance) C4'-P energy: -146.878
bonds (distance) P-C4' energy: -133.771
flat angles C4'-P-C4' energy: -171.078
flat angles P-C4'-P energy: -106.462
tors. eta vs tors. theta energy: -234.968
Dist. restrs. and SS energy: 6.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2523.550995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.748219 (E_RNA)
where:
Base-Base interactions energy: -1774.480
where: short stacking energy: -775.873
Base-Backbone interact. energy: -2.376
local terms energy: -753.891633
where:
bonds (distance) C4'-P energy: -130.927
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -159.357
flat angles P-C4'-P energy: -99.255
tors. eta vs tors. theta energy: -233.321
Dist. restrs. and SS energy: 7.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2430.284082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.284082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.226306 (E_RNA)
where:
Base-Base interactions energy: -1712.201
where: short stacking energy: -710.938
Base-Backbone interact. energy: -2.447
local terms energy: -721.578656
where:
bonds (distance) C4'-P energy: -121.896
bonds (distance) P-C4' energy: -123.684
flat angles C4'-P-C4' energy: -157.609
flat angles P-C4'-P energy: -109.866
tors. eta vs tors. theta energy: -208.523
Dist. restrs. and SS energy: 5.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2371.433398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.433398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.608442 (E_RNA)
where:
Base-Base interactions energy: -1661.131
where: short stacking energy: -713.814
Base-Backbone interact. energy: 0.231
local terms energy: -716.708915
where:
bonds (distance) C4'-P energy: -118.071
bonds (distance) P-C4' energy: -125.963
flat angles C4'-P-C4' energy: -158.297
flat angles P-C4'-P energy: -94.972
tors. eta vs tors. theta energy: -219.406
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2331.792041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.792041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.945374 (E_RNA)
where:
Base-Base interactions energy: -1637.286
where: short stacking energy: -695.315
Base-Backbone interact. energy: 0.391
local terms energy: -708.050859
where:
bonds (distance) C4'-P energy: -124.913
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -154.204
flat angles P-C4'-P energy: -102.314
tors. eta vs tors. theta energy: -209.425
Dist. restrs. and SS energy: 13.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -2218.589588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.589588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.230585 (E_RNA)
where:
Base-Base interactions energy: -1567.935
where: short stacking energy: -656.637
Base-Backbone interact. energy: -2.600
local terms energy: -652.695347
where:
bonds (distance) C4'-P energy: -98.922
bonds (distance) P-C4' energy: -118.820
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -97.229
tors. eta vs tors. theta energy: -197.241
Dist. restrs. and SS energy: 4.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -2090.136172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.136172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.683414 (E_RNA)
where:
Base-Base interactions energy: -1479.245
where: short stacking energy: -601.621
Base-Backbone interact. energy: -0.208
local terms energy: -630.229910
where:
bonds (distance) C4'-P energy: -120.483
bonds (distance) P-C4' energy: -112.414
flat angles C4'-P-C4' energy: -125.384
flat angles P-C4'-P energy: -92.512
tors. eta vs tors. theta energy: -179.438
Dist. restrs. and SS energy: 19.547 (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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -2091.398836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.398836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.850896 (E_RNA)
where:
Base-Base interactions energy: -1476.692
where: short stacking energy: -608.870
Base-Backbone interact. energy: -0.025
local terms energy: -624.134832
where:
bonds (distance) C4'-P energy: -115.408
bonds (distance) P-C4' energy: -106.245
flat angles C4'-P-C4' energy: -138.596
flat angles P-C4'-P energy: -96.068
tors. eta vs tors. theta energy: -167.818
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: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2785.192067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.192067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.578548 (E_RNA)
where:
Base-Base interactions energy: -1947.716
where: short stacking energy: -809.320
Base-Backbone interact. energy: -1.879
local terms energy: -838.983300
where:
bonds (distance) C4'-P energy: -143.474
bonds (distance) P-C4' energy: -147.160
flat angles C4'-P-C4' energy: -174.825
flat angles P-C4'-P energy: -125.755
tors. eta vs tors. theta energy: -247.770
Dist. restrs. and SS energy: 3.386 (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: 267
Temperature: 0.950000
Total energy: -2657.847428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.847428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.043065 (E_RNA)
where:
Base-Base interactions energy: -1881.896
where: short stacking energy: -788.751
Base-Backbone interact. energy: -3.825
local terms energy: -775.322666
where:
bonds (distance) C4'-P energy: -143.085
bonds (distance) P-C4' energy: -124.516
flat angles C4'-P-C4' energy: -170.819
flat angles P-C4'-P energy: -106.092
tors. eta vs tors. theta energy: -230.811
Dist. restrs. and SS energy: 3.196 (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: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2583.273697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.273697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.033608 (E_RNA)
where:
Base-Base interactions energy: -1804.892
where: short stacking energy: -760.387
Base-Backbone interact. energy: 2.474
local terms energy: -787.615724
where:
bonds (distance) C4'-P energy: -144.672
bonds (distance) P-C4' energy: -140.069
flat angles C4'-P-C4' energy: -150.758
flat angles P-C4'-P energy: -126.644
tors. eta vs tors. theta energy: -225.473
Dist. restrs. and SS energy: 6.760 (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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2499.124923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.124923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.629508 (E_RNA)
where:
Base-Base interactions energy: -1756.327
where: short stacking energy: -740.422
Base-Backbone interact. energy: -1.682
local terms energy: -748.620307
where:
bonds (distance) C4'-P energy: -132.045
bonds (distance) P-C4' energy: -137.205
flat angles C4'-P-C4' energy: -159.582
flat angles P-C4'-P energy: -97.181
tors. eta vs tors. theta energy: -222.608
Dist. restrs. and SS energy: 7.505 (S_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: 267
Temperature: 1.100000
Total energy: -2412.439818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.439818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.809666 (E_RNA)
where:
Base-Base interactions energy: -1729.684
where: short stacking energy: -724.106
Base-Backbone interact. energy: 5.000
local terms energy: -693.125443
where:
bonds (distance) C4'-P energy: -131.176
bonds (distance) P-C4' energy: -117.840
flat angles C4'-P-C4' energy: -145.858
flat angles P-C4'-P energy: -93.994
tors. eta vs tors. theta energy: -204.258
Dist. restrs. and SS energy: 5.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2308.787989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.787989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.014456 (E_RNA)
where:
Base-Base interactions energy: -1610.289
where: short stacking energy: -686.983
Base-Backbone interact. energy: 0.456
local terms energy: -707.181114
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -123.579
flat angles C4'-P-C4' energy: -157.783
flat angles P-C4'-P energy: -101.191
tors. eta vs tors. theta energy: -204.244
Dist. restrs. and SS energy: 8.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2273.925222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.925222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.659434 (E_RNA)
where:
Base-Base interactions energy: -1607.971
where: short stacking energy: -699.819
Base-Backbone interact. energy: -1.713
local terms energy: -674.975741
where:
bonds (distance) C4'-P energy: -116.915
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -143.605
flat angles P-C4'-P energy: -99.055
tors. eta vs tors. theta energy: -199.534
Dist. restrs. and SS energy: 10.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2265.462074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.462074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.931165 (E_RNA)
where:
Base-Base interactions energy: -1597.953
where: short stacking energy: -659.591
Base-Backbone interact. energy: -2.862
local terms energy: -670.116669
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -119.210
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -108.182
tors. eta vs tors. theta energy: -204.224
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: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -2083.760211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.760211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.053327 (E_RNA)
where:
Base-Base interactions energy: -1457.614
where: short stacking energy: -607.634
Base-Backbone interact. energy: -2.491
local terms energy: -648.947660
where:
bonds (distance) C4'-P energy: -105.197
bonds (distance) P-C4' energy: -135.913
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -92.204
tors. eta vs tors. theta energy: -175.843
Dist. restrs. and SS energy: 25.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -2028.040870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.040870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.867038 (E_RNA)
where:
Base-Base interactions energy: -1478.367
where: short stacking energy: -608.723
Base-Backbone interact. energy: 5.336
local terms energy: -565.836112
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -100.588
flat angles C4'-P-C4' energy: -117.066
flat angles P-C4'-P energy: -70.958
tors. eta vs tors. theta energy: -163.116
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: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2808.423901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.423901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.126802 (E_RNA)
where:
Base-Base interactions energy: -1982.857
where: short stacking energy: -815.455
Base-Backbone interact. energy: -3.402
local terms energy: -823.867705
where:
bonds (distance) C4'-P energy: -138.604
bonds (distance) P-C4' energy: -155.149
flat angles C4'-P-C4' energy: -165.672
flat angles P-C4'-P energy: -112.573
tors. eta vs tors. theta energy: -251.869
Dist. restrs. and SS energy: 1.703 (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: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2695.836925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.836925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.608673 (E_RNA)
where:
Base-Base interactions energy: -1877.604
where: short stacking energy: -796.804
Base-Backbone interact. energy: -0.807
local terms energy: -822.198244
where:
bonds (distance) C4'-P energy: -151.942
bonds (distance) P-C4' energy: -141.402
flat angles C4'-P-C4' energy: -176.228
flat angles P-C4'-P energy: -117.959
tors. eta vs tors. theta energy: -234.667
Dist. restrs. and SS energy: 4.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2586.489095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.489095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.617248 (E_RNA)
where:
Base-Base interactions energy: -1833.149
where: short stacking energy: -765.952
Base-Backbone interact. energy: -3.488
local terms energy: -756.980518
where:
bonds (distance) C4'-P energy: -131.295
bonds (distance) P-C4' energy: -140.381
flat angles C4'-P-C4' energy: -156.767
flat angles P-C4'-P energy: -99.738
tors. eta vs tors. theta energy: -228.800
Dist. restrs. and SS energy: 7.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2522.480574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.480574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.186587 (E_RNA)
where:
Base-Base interactions energy: -1776.677
where: short stacking energy: -776.107
Base-Backbone interact. energy: -1.848
local terms energy: -749.661262
where:
bonds (distance) C4'-P energy: -109.592
bonds (distance) P-C4' energy: -147.899
flat angles C4'-P-C4' energy: -165.543
flat angles P-C4'-P energy: -99.090
tors. eta vs tors. theta energy: -227.538
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2444.523173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.059007 (E_RNA)
where:
Base-Base interactions energy: -1697.954
where: short stacking energy: -715.660
Base-Backbone interact. energy: -0.473
local terms energy: -752.632458
where:
bonds (distance) C4'-P energy: -129.596
bonds (distance) P-C4' energy: -140.855
flat angles C4'-P-C4' energy: -157.694
flat angles P-C4'-P energy: -109.060
tors. eta vs tors. theta energy: -215.428
Dist. restrs. and SS energy: 6.536 (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: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2340.555346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.555346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.206258 (E_RNA)
where:
Base-Base interactions energy: -1653.695
where: short stacking energy: -700.295
Base-Backbone interact. energy: 4.532
local terms energy: -700.042775
where:
bonds (distance) C4'-P energy: -127.921
bonds (distance) P-C4' energy: -129.533
flat angles C4'-P-C4' energy: -144.443
flat angles P-C4'-P energy: -89.618
tors. eta vs tors. theta energy: -208.528
Dist. restrs. and SS energy: 8.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2302.120077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.120077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.553918 (E_RNA)
where:
Base-Base interactions energy: -1612.267
where: short stacking energy: -666.130
Base-Backbone interact. energy: -1.236
local terms energy: -694.050774
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -131.599
flat angles C4'-P-C4' energy: -150.320
flat angles P-C4'-P energy: -82.002
tors. eta vs tors. theta energy: -203.709
Dist. restrs. and SS energy: 5.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2180.095515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.095515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.887180 (E_RNA)
where:
Base-Base interactions energy: -1548.958
where: short stacking energy: -659.034
Base-Backbone interact. energy: -2.744
local terms energy: -638.185062
where:
bonds (distance) C4'-P energy: -115.339
bonds (distance) P-C4' energy: -124.480
flat angles C4'-P-C4' energy: -129.899
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -184.868
Dist. restrs. and SS energy: 9.792 (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: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -2066.098213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.098213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.087677 (E_RNA)
where:
Base-Base interactions energy: -1471.903
where: short stacking energy: -615.612
Base-Backbone interact. energy: -0.390
local terms energy: -608.794056
where:
bonds (distance) C4'-P energy: -117.381
bonds (distance) P-C4' energy: -109.419
flat angles C4'-P-C4' energy: -124.809
flat angles P-C4'-P energy: -73.089
tors. eta vs tors. theta energy: -184.096
Dist. restrs. and SS energy: 14.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -2011.588448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.588448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.717040 (E_RNA)
where:
Base-Base interactions energy: -1432.323
where: short stacking energy: -578.230
Base-Backbone interact. energy: -1.407
local terms energy: -597.987417
where:
bonds (distance) C4'-P energy: -111.137
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -119.525
flat angles P-C4'-P energy: -77.726
tors. eta vs tors. theta energy: -172.576
Dist. restrs. and SS energy: 20.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2815.752409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.752409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.687547 (E_RNA)
where:
Base-Base interactions energy: -1968.839
where: short stacking energy: -814.202
Base-Backbone interact. energy: -1.689
local terms energy: -847.160227
where:
bonds (distance) C4'-P energy: -140.418
bonds (distance) P-C4' energy: -146.414
flat angles C4'-P-C4' energy: -180.963
flat angles P-C4'-P energy: -121.200
tors. eta vs tors. theta energy: -258.166
Dist. restrs. and SS energy: 1.935 (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: 269
Temperature: 0.950000
Total energy: -2674.194746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.194746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.339210 (E_RNA)
where:
Base-Base interactions energy: -1877.572
where: short stacking energy: -784.450
Base-Backbone interact. energy: -2.433
local terms energy: -797.334228
where:
bonds (distance) C4'-P energy: -141.879
bonds (distance) P-C4' energy: -131.037
flat angles C4'-P-C4' energy: -172.644
flat angles P-C4'-P energy: -114.548
tors. eta vs tors. theta energy: -237.226
Dist. restrs. and SS energy: 3.144 (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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2585.901971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.901971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.832397 (E_RNA)
where:
Base-Base interactions energy: -1825.102
where: short stacking energy: -769.547
Base-Backbone interact. energy: -3.533
local terms energy: -763.196565
where:
bonds (distance) C4'-P energy: -136.789
bonds (distance) P-C4' energy: -128.218
flat angles C4'-P-C4' energy: -163.138
flat angles P-C4'-P energy: -108.280
tors. eta vs tors. theta energy: -226.772
Dist. restrs. and SS energy: 5.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2521.190549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.190549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.000380 (E_RNA)
where:
Base-Base interactions energy: -1770.997
where: short stacking energy: -746.552
Base-Backbone interact. energy: 1.075
local terms energy: -755.077986
where:
bonds (distance) C4'-P energy: -144.048
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -160.693
flat angles P-C4'-P energy: -107.313
tors. eta vs tors. theta energy: -208.754
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2443.250308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.250308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.959060 (E_RNA)
where:
Base-Base interactions energy: -1724.451
where: short stacking energy: -718.216
Base-Backbone interact. energy: -1.365
local terms energy: -724.143504
where:
bonds (distance) C4'-P energy: -118.980
bonds (distance) P-C4' energy: -137.178
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -102.134
tors. eta vs tors. theta energy: -213.844
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: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2385.482992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.482992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.584702 (E_RNA)
where:
Base-Base interactions energy: -1686.560
where: short stacking energy: -704.230
Base-Backbone interact. energy: 0.959
local terms energy: -707.983961
where:
bonds (distance) C4'-P energy: -102.147
bonds (distance) P-C4' energy: -127.323
flat angles C4'-P-C4' energy: -154.848
flat angles P-C4'-P energy: -102.820
tors. eta vs tors. theta energy: -220.846
Dist. restrs. and SS energy: 8.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2249.366657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.366657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.159408 (E_RNA)
where:
Base-Base interactions energy: -1586.328
where: short stacking energy: -646.746
Base-Backbone interact. energy: -0.560
local terms energy: -677.271513
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -129.834
flat angles C4'-P-C4' energy: -150.892
flat angles P-C4'-P energy: -96.206
tors. eta vs tors. theta energy: -178.542
Dist. restrs. and SS energy: 14.793 (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: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2217.360354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.360354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.158767 (E_RNA)
where:
Base-Base interactions energy: -1523.495
where: short stacking energy: -636.415
Base-Backbone interact. energy: -2.941
local terms energy: -699.722767
where:
bonds (distance) C4'-P energy: -118.054
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -147.542
flat angles P-C4'-P energy: -100.387
tors. eta vs tors. theta energy: -198.359
Dist. restrs. and SS energy: 8.798 (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: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -2025.496001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.496001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.512776 (E_RNA)
where:
Base-Base interactions energy: -1430.253
where: short stacking energy: -578.260
Base-Backbone interact. energy: 4.164
local terms energy: -615.423090
where:
bonds (distance) C4'-P energy: -110.719
bonds (distance) P-C4' energy: -127.102
flat angles C4'-P-C4' energy: -127.473
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -162.487
Dist. restrs. and SS energy: 16.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -2007.329245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.329245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.925008 (E_RNA)
where:
Base-Base interactions energy: -1404.606
where: short stacking energy: -591.749
Base-Backbone interact. energy: -1.006
local terms energy: -618.313160
where:
bonds (distance) C4'-P energy: -105.073
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -136.190
flat angles P-C4'-P energy: -78.753
tors. eta vs tors. theta energy: -177.781
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: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2802.092848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.463302 (E_RNA)
where:
Base-Base interactions energy: -1975.515
where: short stacking energy: -845.352
Base-Backbone interact. energy: 0.180
local terms energy: -830.128349
where:
bonds (distance) C4'-P energy: -150.272
bonds (distance) P-C4' energy: -139.342
flat angles C4'-P-C4' energy: -170.803
flat angles P-C4'-P energy: -122.131
tors. eta vs tors. theta energy: -247.580
Dist. restrs. and SS energy: 3.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2683.407902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.407902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.473352 (E_RNA)
where:
Base-Base interactions energy: -1865.591
where: short stacking energy: -805.960
Base-Backbone interact. energy: -1.655
local terms energy: -819.227186
where:
bonds (distance) C4'-P energy: -147.975
bonds (distance) P-C4' energy: -153.509
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -116.980
tors. eta vs tors. theta energy: -236.905
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2631.136685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.136685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.028515 (E_RNA)
where:
Base-Base interactions energy: -1853.506
where: short stacking energy: -769.959
Base-Backbone interact. energy: -1.802
local terms energy: -781.720523
where:
bonds (distance) C4'-P energy: -124.360
bonds (distance) P-C4' energy: -142.537
flat angles C4'-P-C4' energy: -162.470
flat angles P-C4'-P energy: -113.352
tors. eta vs tors. theta energy: -239.002
Dist. restrs. and SS energy: 5.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2521.190666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.190666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.316104 (E_RNA)
where:
Base-Base interactions energy: -1764.270
where: short stacking energy: -739.413
Base-Backbone interact. energy: -2.114
local terms energy: -757.931789
where:
bonds (distance) C4'-P energy: -131.673
bonds (distance) P-C4' energy: -130.323
flat angles C4'-P-C4' energy: -172.368
flat angles P-C4'-P energy: -104.430
tors. eta vs tors. theta energy: -219.138
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2470.740863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.740863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.241871 (E_RNA)
where:
Base-Base interactions energy: -1735.952
where: short stacking energy: -736.975
Base-Backbone interact. energy: -1.794
local terms energy: -740.495279
where:
bonds (distance) C4'-P energy: -134.604
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -152.069
flat angles P-C4'-P energy: -97.544
tors. eta vs tors. theta energy: -227.451
Dist. restrs. and SS energy: 7.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2425.640132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.640132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.022831 (E_RNA)
where:
Base-Base interactions energy: -1716.694
where: short stacking energy: -708.565
Base-Backbone interact. energy: -3.319
local terms energy: -711.009293
where:
bonds (distance) C4'-P energy: -117.632
bonds (distance) P-C4' energy: -128.786
flat angles C4'-P-C4' energy: -139.724
flat angles P-C4'-P energy: -99.024
tors. eta vs tors. theta energy: -225.843
Dist. restrs. and SS energy: 5.383 (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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2257.211745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.211745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.234340 (E_RNA)
where:
Base-Base interactions energy: -1602.992
where: short stacking energy: -661.727
Base-Backbone interact. energy: -4.342
local terms energy: -660.900103
where:
bonds (distance) C4'-P energy: -116.556
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -126.241
flat angles P-C4'-P energy: -103.157
tors. eta vs tors. theta energy: -188.754
Dist. restrs. and SS energy: 11.023 (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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2199.527337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.527337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.010085 (E_RNA)
where:
Base-Base interactions energy: -1538.424
where: short stacking energy: -641.144
Base-Backbone interact. energy: 0.118
local terms energy: -669.704784
where:
bonds (distance) C4'-P energy: -119.243
bonds (distance) P-C4' energy: -117.553
flat angles C4'-P-C4' energy: -137.229
flat angles P-C4'-P energy: -89.143
tors. eta vs tors. theta energy: -206.537
Dist. restrs. and SS energy: 8.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -2110.972180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.972180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.562619 (E_RNA)
where:
Base-Base interactions energy: -1520.102
where: short stacking energy: -649.085
Base-Backbone interact. energy: -0.292
local terms energy: -603.169250
where:
bonds (distance) C4'-P energy: -109.297
bonds (distance) P-C4' energy: -90.285
flat angles C4'-P-C4' energy: -134.443
flat angles P-C4'-P energy: -99.418
tors. eta vs tors. theta energy: -169.726
Dist. restrs. and SS energy: 12.590 (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: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1917.466884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.466884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.510189 (E_RNA)
where:
Base-Base interactions energy: -1340.485
where: short stacking energy: -538.727
Base-Backbone interact. energy: 3.616
local terms energy: -597.640980
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -128.378
flat angles C4'-P-C4' energy: -135.609
flat angles P-C4'-P energy: -73.373
tors. eta vs tors. theta energy: -151.020
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: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2810.507158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.507158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.559146 (E_RNA)
where:
Base-Base interactions energy: -1972.421
where: short stacking energy: -841.698
Base-Backbone interact. energy: -4.951
local terms energy: -835.187741
where:
bonds (distance) C4'-P energy: -150.713
bonds (distance) P-C4' energy: -146.488
flat angles C4'-P-C4' energy: -166.391
flat angles P-C4'-P energy: -118.364
tors. eta vs tors. theta energy: -253.232
Dist. restrs. and SS energy: 2.052 (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: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2694.060763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.060763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.125068 (E_RNA)
where:
Base-Base interactions energy: -1902.166
where: short stacking energy: -825.469
Base-Backbone interact. energy: -6.543
local terms energy: -788.415418
where:
bonds (distance) C4'-P energy: -131.146
bonds (distance) P-C4' energy: -142.210
flat angles C4'-P-C4' energy: -167.448
flat angles P-C4'-P energy: -102.047
tors. eta vs tors. theta energy: -245.565
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2607.285361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.285361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.527675 (E_RNA)
where:
Base-Base interactions energy: -1829.850
where: short stacking energy: -785.294
Base-Backbone interact. energy: -2.514
local terms energy: -779.164313
where:
bonds (distance) C4'-P energy: -139.549
bonds (distance) P-C4' energy: -136.839
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -109.047
tors. eta vs tors. theta energy: -246.063
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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2504.483906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.483906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.553187 (E_RNA)
where:
Base-Base interactions energy: -1746.595
where: short stacking energy: -743.328
Base-Backbone interact. energy: -0.131
local terms energy: -764.826431
where:
bonds (distance) C4'-P energy: -121.648
bonds (distance) P-C4' energy: -135.408
flat angles C4'-P-C4' energy: -165.769
flat angles P-C4'-P energy: -117.362
tors. eta vs tors. theta energy: -224.638
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: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2472.349057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.349057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.963095 (E_RNA)
where:
Base-Base interactions energy: -1744.400
where: short stacking energy: -738.401
Base-Backbone interact. energy: 3.157
local terms energy: -738.719918
where:
bonds (distance) C4'-P energy: -137.161
bonds (distance) P-C4' energy: -129.298
flat angles C4'-P-C4' energy: -152.928
flat angles P-C4'-P energy: -99.059
tors. eta vs tors. theta energy: -220.273
Dist. restrs. and SS energy: 7.614 (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: 271
Temperature: 1.150000
Total energy: -2406.826118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.826118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.925796 (E_RNA)
where:
Base-Base interactions energy: -1717.963
where: short stacking energy: -713.303
Base-Backbone interact. energy: -3.260
local terms energy: -690.702935
where:
bonds (distance) C4'-P energy: -123.996
bonds (distance) P-C4' energy: -114.650
flat angles C4'-P-C4' energy: -154.963
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -212.887
Dist. restrs. and SS energy: 5.100 (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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2241.527861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.527861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.916795 (E_RNA)
where:
Base-Base interactions energy: -1606.719
where: short stacking energy: -680.220
Base-Backbone interact. energy: -3.000
local terms energy: -642.197576
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -140.576
flat angles P-C4'-P energy: -94.919
tors. eta vs tors. theta energy: -192.291
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2224.910917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.910917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.192886 (E_RNA)
where:
Base-Base interactions energy: -1581.542
where: short stacking energy: -658.822
Base-Backbone interact. energy: -3.156
local terms energy: -649.494154
where:
bonds (distance) C4'-P energy: -112.527
bonds (distance) P-C4' energy: -106.390
flat angles C4'-P-C4' energy: -147.109
flat angles P-C4'-P energy: -86.587
tors. eta vs tors. theta energy: -196.882
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: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -2171.195720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.195720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.500485 (E_RNA)
where:
Base-Base interactions energy: -1578.672
where: short stacking energy: -649.516
Base-Backbone interact. energy: 7.558
local terms energy: -609.386181
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -101.059
flat angles C4'-P-C4' energy: -134.155
flat angles P-C4'-P energy: -75.188
tors. eta vs tors. theta energy: -190.808
Dist. restrs. and SS energy: 9.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -2000.002615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.002615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.426496 (E_RNA)
where:
Base-Base interactions energy: -1426.639
where: short stacking energy: -607.344
Base-Backbone interact. energy: 2.052
local terms energy: -586.839625
where:
bonds (distance) C4'-P energy: -93.461
bonds (distance) P-C4' energy: -108.970
flat angles C4'-P-C4' energy: -137.671
flat angles P-C4'-P energy: -83.950
tors. eta vs tors. theta energy: -162.788
Dist. restrs. and SS energy: 11.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2810.555922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.555922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.384935 (E_RNA)
where:
Base-Base interactions energy: -1957.878
where: short stacking energy: -832.965
Base-Backbone interact. energy: -4.118
local terms energy: -852.388935
where:
bonds (distance) C4'-P energy: -146.869
bonds (distance) P-C4' energy: -141.287
flat angles C4'-P-C4' energy: -178.220
flat angles P-C4'-P energy: -126.877
tors. eta vs tors. theta energy: -259.136
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2713.143056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.143056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.138396 (E_RNA)
where:
Base-Base interactions energy: -1894.368
where: short stacking energy: -805.386
Base-Backbone interact. energy: -1.791
local terms energy: -818.978615
where:
bonds (distance) C4'-P energy: -140.256
bonds (distance) P-C4' energy: -145.533
flat angles C4'-P-C4' energy: -162.810
flat angles P-C4'-P energy: -128.623
tors. eta vs tors. theta energy: -241.756
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: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2571.578504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.578504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.899339 (E_RNA)
where:
Base-Base interactions energy: -1819.020
where: short stacking energy: -770.441
Base-Backbone interact. energy: -4.038
local terms energy: -756.841038
where:
bonds (distance) C4'-P energy: -133.732
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -176.663
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -224.928
Dist. restrs. and SS energy: 8.321 (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: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2524.878052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.878052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.869440 (E_RNA)
where:
Base-Base interactions energy: -1789.286
where: short stacking energy: -767.426
Base-Backbone interact. energy: -0.404
local terms energy: -739.180239
where:
bonds (distance) C4'-P energy: -117.129
bonds (distance) P-C4' energy: -144.733
flat angles C4'-P-C4' energy: -150.647
flat angles P-C4'-P energy: -111.095
tors. eta vs tors. theta energy: -215.577
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2450.541225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.541225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.901784 (E_RNA)
where:
Base-Base interactions energy: -1720.258
where: short stacking energy: -713.710
Base-Backbone interact. energy: -3.096
local terms energy: -730.548280
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -127.569
flat angles C4'-P-C4' energy: -155.968
flat angles P-C4'-P energy: -117.141
tors. eta vs tors. theta energy: -204.122
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2383.252628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.252628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.864820 (E_RNA)
where:
Base-Base interactions energy: -1708.548
where: short stacking energy: -700.974
Base-Backbone interact. energy: -1.622
local terms energy: -687.694578
where:
bonds (distance) C4'-P energy: -121.407
bonds (distance) P-C4' energy: -120.703
flat angles C4'-P-C4' energy: -147.433
flat angles P-C4'-P energy: -86.552
tors. eta vs tors. theta energy: -211.601
Dist. restrs. and SS energy: 14.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2237.976798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.976798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.932061 (E_RNA)
where:
Base-Base interactions energy: -1575.175
where: short stacking energy: -647.830
Base-Backbone interact. energy: 2.579
local terms energy: -672.336326
where:
bonds (distance) C4'-P energy: -118.047
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -147.528
flat angles P-C4'-P energy: -96.193
tors. eta vs tors. theta energy: -189.564
Dist. restrs. and SS energy: 6.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2227.156824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.156824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.869237 (E_RNA)
where:
Base-Base interactions energy: -1581.239
where: short stacking energy: -637.853
Base-Backbone interact. energy: 4.067
local terms energy: -656.697548
where:
bonds (distance) C4'-P energy: -109.607
bonds (distance) P-C4' energy: -131.344
flat angles C4'-P-C4' energy: -148.060
flat angles P-C4'-P energy: -80.415
tors. eta vs tors. theta energy: -187.272
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -2117.674195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.674195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.483185 (E_RNA)
where:
Base-Base interactions energy: -1474.294
where: short stacking energy: -629.583
Base-Backbone interact. energy: -2.194
local terms energy: -650.995115
where:
bonds (distance) C4'-P energy: -133.302
bonds (distance) P-C4' energy: -120.055
flat angles C4'-P-C4' energy: -133.616
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -179.745
Dist. restrs. and SS energy: 9.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1987.318826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.318826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.036887 (E_RNA)
where:
Base-Base interactions energy: -1428.496
where: short stacking energy: -591.372
Base-Backbone interact. energy: 7.375
local terms energy: -579.915200
where:
bonds (distance) C4'-P energy: -112.523
bonds (distance) P-C4' energy: -104.604
flat angles C4'-P-C4' energy: -129.542
flat angles P-C4'-P energy: -73.273
tors. eta vs tors. theta energy: -159.973
Dist. restrs. and SS energy: 13.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2800.380370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.380370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.172810 (E_RNA)
where:
Base-Base interactions energy: -1977.666
where: short stacking energy: -827.082
Base-Backbone interact. energy: -1.156
local terms energy: -824.351082
where:
bonds (distance) C4'-P energy: -141.458
bonds (distance) P-C4' energy: -146.745
flat angles C4'-P-C4' energy: -160.303
flat angles P-C4'-P energy: -115.755
tors. eta vs tors. theta energy: -260.089
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2718.293711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.293711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.175134 (E_RNA)
where:
Base-Base interactions energy: -1901.097
where: short stacking energy: -811.771
Base-Backbone interact. energy: -1.237
local terms energy: -819.840405
where:
bonds (distance) C4'-P energy: -130.599
bonds (distance) P-C4' energy: -158.037
flat angles C4'-P-C4' energy: -164.421
flat angles P-C4'-P energy: -113.473
tors. eta vs tors. theta energy: -253.310
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: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2620.523141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.523141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.822383 (E_RNA)
where:
Base-Base interactions energy: -1845.823
where: short stacking energy: -750.788
Base-Backbone interact. energy: -0.627
local terms energy: -780.372175
where:
bonds (distance) C4'-P energy: -149.712
bonds (distance) P-C4' energy: -148.242
flat angles C4'-P-C4' energy: -161.380
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -223.404
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2510.634954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.634954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.081707 (E_RNA)
where:
Base-Base interactions energy: -1739.558
where: short stacking energy: -745.944
Base-Backbone interact. energy: -0.285
local terms energy: -774.238543
where:
bonds (distance) C4'-P energy: -123.566
bonds (distance) P-C4' energy: -156.782
flat angles C4'-P-C4' energy: -163.765
flat angles P-C4'-P energy: -107.612
tors. eta vs tors. theta energy: -222.514
Dist. restrs. and SS energy: 3.447 (S_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: 273
Temperature: 1.100000
Total energy: -2424.951061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.860961 (E_RNA)
where:
Base-Base interactions energy: -1727.743
where: short stacking energy: -734.438
Base-Backbone interact. energy: -0.918
local terms energy: -701.200306
where:
bonds (distance) C4'-P energy: -131.498
bonds (distance) P-C4' energy: -110.066
flat angles C4'-P-C4' energy: -154.839
flat angles P-C4'-P energy: -87.145
tors. eta vs tors. theta energy: -217.652
Dist. restrs. and SS energy: 4.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2384.174804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.174804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.162090 (E_RNA)
where:
Base-Base interactions energy: -1687.581
where: short stacking energy: -706.042
Base-Backbone interact. energy: -0.289
local terms energy: -706.292091
where:
bonds (distance) C4'-P energy: -127.310
bonds (distance) P-C4' energy: -125.345
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -104.815
tors. eta vs tors. theta energy: -206.284
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: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2252.551771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.616026 (E_RNA)
where:
Base-Base interactions energy: -1601.660
where: short stacking energy: -662.877
Base-Backbone interact. energy: -3.977
local terms energy: -653.979204
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -117.580
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -98.897
tors. eta vs tors. theta energy: -197.410
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2205.352200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.352200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.211515 (E_RNA)
where:
Base-Base interactions energy: -1541.817
where: short stacking energy: -638.482
Base-Backbone interact. energy: 0.431
local terms energy: -675.825765
where:
bonds (distance) C4'-P energy: -129.850
bonds (distance) P-C4' energy: -118.526
flat angles C4'-P-C4' energy: -143.170
flat angles P-C4'-P energy: -89.705
tors. eta vs tors. theta energy: -194.574
Dist. restrs. and SS energy: 11.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -2124.074806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.074806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.998187 (E_RNA)
where:
Base-Base interactions energy: -1518.292
where: short stacking energy: -601.931
Base-Backbone interact. energy: -1.994
local terms energy: -615.712071
where:
bonds (distance) C4'-P energy: -109.191
bonds (distance) P-C4' energy: -114.489
flat angles C4'-P-C4' energy: -124.463
flat angles P-C4'-P energy: -84.203
tors. eta vs tors. theta energy: -183.365
Dist. restrs. and SS energy: 11.923 (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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1904.171491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.171491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.175546 (E_RNA)
where:
Base-Base interactions energy: -1351.293
where: short stacking energy: -579.389
Base-Backbone interact. energy: 0.879
local terms energy: -578.761577
where:
bonds (distance) C4'-P energy: -122.855
bonds (distance) P-C4' energy: -91.446
flat angles C4'-P-C4' energy: -133.983
flat angles P-C4'-P energy: -80.802
tors. eta vs tors. theta energy: -149.676
Dist. restrs. and SS energy: 25.004 (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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2798.245732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.245732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.467742 (E_RNA)
where:
Base-Base interactions energy: -1965.564
where: short stacking energy: -834.676
Base-Backbone interact. energy: -3.097
local terms energy: -830.806267
where:
bonds (distance) C4'-P energy: -151.911
bonds (distance) P-C4' energy: -143.660
flat angles C4'-P-C4' energy: -163.543
flat angles P-C4'-P energy: -116.274
tors. eta vs tors. theta energy: -255.419
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2720.543062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.543062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.719324 (E_RNA)
where:
Base-Base interactions energy: -1930.885
where: short stacking energy: -839.601
Base-Backbone interact. energy: -2.482
local terms energy: -791.352156
where:
bonds (distance) C4'-P energy: -137.293
bonds (distance) P-C4' energy: -125.118
flat angles C4'-P-C4' energy: -164.598
flat angles P-C4'-P energy: -122.079
tors. eta vs tors. theta energy: -242.264
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: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2588.295443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.295443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.086998 (E_RNA)
where:
Base-Base interactions energy: -1825.688
where: short stacking energy: -773.478
Base-Backbone interact. energy: -3.865
local terms energy: -767.533595
where:
bonds (distance) C4'-P energy: -127.564
bonds (distance) P-C4' energy: -138.069
flat angles C4'-P-C4' energy: -164.247
flat angles P-C4'-P energy: -103.924
tors. eta vs tors. theta energy: -233.729
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: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2543.259973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.259973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.282342 (E_RNA)
where:
Base-Base interactions energy: -1764.955
where: short stacking energy: -763.692
Base-Backbone interact. energy: -3.737
local terms energy: -779.590817
where:
bonds (distance) C4'-P energy: -134.327
bonds (distance) P-C4' energy: -139.031
flat angles C4'-P-C4' energy: -158.979
flat angles P-C4'-P energy: -120.818
tors. eta vs tors. theta energy: -226.437
Dist. restrs. and SS energy: 5.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2487.034378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.034378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.075583 (E_RNA)
where:
Base-Base interactions energy: -1739.046
where: short stacking energy: -735.777
Base-Backbone interact. energy: -0.351
local terms energy: -750.678170
where:
bonds (distance) C4'-P energy: -130.792
bonds (distance) P-C4' energy: -133.861
flat angles C4'-P-C4' energy: -165.638
flat angles P-C4'-P energy: -107.862
tors. eta vs tors. theta energy: -212.526
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2354.376046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.376046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.535344 (E_RNA)
where:
Base-Base interactions energy: -1692.646
where: short stacking energy: -705.371
Base-Backbone interact. energy: -1.921
local terms energy: -667.967952
where:
bonds (distance) C4'-P energy: -130.113
bonds (distance) P-C4' energy: -111.531
flat angles C4'-P-C4' energy: -142.219
flat angles P-C4'-P energy: -91.421
tors. eta vs tors. theta energy: -192.684
Dist. restrs. and SS energy: 8.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2267.970236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.970236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.643979 (E_RNA)
where:
Base-Base interactions energy: -1589.821
where: short stacking energy: -655.904
Base-Backbone interact. energy: -0.830
local terms energy: -686.993449
where:
bonds (distance) C4'-P energy: -120.311
bonds (distance) P-C4' energy: -134.471
flat angles C4'-P-C4' energy: -136.337
flat angles P-C4'-P energy: -100.563
tors. eta vs tors. theta energy: -195.312
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: 274
Temperature: 1.250000
Total energy: -2196.753842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.753842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.708399 (E_RNA)
where:
Base-Base interactions energy: -1541.971
where: short stacking energy: -637.213
Base-Backbone interact. energy: -1.754
local terms energy: -663.983480
where:
bonds (distance) C4'-P energy: -114.922
bonds (distance) P-C4' energy: -127.250
flat angles C4'-P-C4' energy: -158.072
flat angles P-C4'-P energy: -87.125
tors. eta vs tors. theta energy: -176.614
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -2184.656308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.656308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.239294 (E_RNA)
where:
Base-Base interactions energy: -1548.017
where: short stacking energy: -612.310
Base-Backbone interact. energy: -2.290
local terms energy: -644.932742
where:
bonds (distance) C4'-P energy: -100.978
bonds (distance) P-C4' energy: -126.260
flat angles C4'-P-C4' energy: -140.372
flat angles P-C4'-P energy: -90.841
tors. eta vs tors. theta energy: -186.481
Dist. restrs. and SS energy: 10.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1887.071757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.071757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.949801 (E_RNA)
where:
Base-Base interactions energy: -1325.393
where: short stacking energy: -558.884
Base-Backbone interact. energy: 0.771
local terms energy: -585.328243
where:
bonds (distance) C4'-P energy: -109.657
bonds (distance) P-C4' energy: -129.961
flat angles C4'-P-C4' energy: -139.448
flat angles P-C4'-P energy: -66.124
tors. eta vs tors. theta energy: -140.138
Dist. restrs. and SS energy: 22.878 (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: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2780.034435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.034435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.822534 (E_RNA)
where:
Base-Base interactions energy: -1918.320
where: short stacking energy: -846.174
Base-Backbone interact. energy: -2.917
local terms energy: -861.586202
where:
bonds (distance) C4'-P energy: -154.554
bonds (distance) P-C4' energy: -157.659
flat angles C4'-P-C4' energy: -170.135
flat angles P-C4'-P energy: -122.138
tors. eta vs tors. theta energy: -257.101
Dist. restrs. and SS energy: 2.788 (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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2702.394565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.394565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.579196 (E_RNA)
where:
Base-Base interactions energy: -1872.492
where: short stacking energy: -817.672
Base-Backbone interact. energy: -4.533
local terms energy: -829.554183
where:
bonds (distance) C4'-P energy: -127.496
bonds (distance) P-C4' energy: -143.261
flat angles C4'-P-C4' energy: -176.563
flat angles P-C4'-P energy: -127.547
tors. eta vs tors. theta energy: -254.687
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2594.454490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.454490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.880925 (E_RNA)
where:
Base-Base interactions energy: -1834.489
where: short stacking energy: -764.767
Base-Backbone interact. energy: 1.243
local terms energy: -772.634907
where:
bonds (distance) C4'-P energy: -140.342
bonds (distance) P-C4' energy: -139.444
flat angles C4'-P-C4' energy: -166.636
flat angles P-C4'-P energy: -105.556
tors. eta vs tors. theta energy: -220.656
Dist. restrs. and SS energy: 11.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2537.277970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.277970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.543741 (E_RNA)
where:
Base-Base interactions energy: -1783.228
where: short stacking energy: -781.782
Base-Backbone interact. energy: -3.192
local terms energy: -757.123698
where:
bonds (distance) C4'-P energy: -128.167
bonds (distance) P-C4' energy: -127.270
flat angles C4'-P-C4' energy: -167.307
flat angles P-C4'-P energy: -98.412
tors. eta vs tors. theta energy: -235.968
Dist. restrs. and SS energy: 6.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2446.358542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.358542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.809688 (E_RNA)
where:
Base-Base interactions energy: -1714.112
where: short stacking energy: -709.629
Base-Backbone interact. energy: -1.575
local terms energy: -734.122962
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -115.004
flat angles C4'-P-C4' energy: -170.718
flat angles P-C4'-P energy: -109.507
tors. eta vs tors. theta energy: -208.359
Dist. restrs. and SS energy: 3.451 (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: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2351.072809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.072809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.375672 (E_RNA)
where:
Base-Base interactions energy: -1658.845
where: short stacking energy: -691.955
Base-Backbone interact. energy: -2.976
local terms energy: -696.554302
where:
bonds (distance) C4'-P energy: -124.323
bonds (distance) P-C4' energy: -123.664
flat angles C4'-P-C4' energy: -141.815
flat angles P-C4'-P energy: -107.899
tors. eta vs tors. theta energy: -198.854
Dist. restrs. and SS energy: 7.303 (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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2297.369419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.369419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.587392 (E_RNA)
where:
Base-Base interactions energy: -1625.500
where: short stacking energy: -675.892
Base-Backbone interact. energy: -2.596
local terms energy: -675.491386
where:
bonds (distance) C4'-P energy: -134.247
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -110.422
tors. eta vs tors. theta energy: -195.151
Dist. restrs. and SS energy: 6.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2229.750683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.750683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.315794 (E_RNA)
where:
Base-Base interactions energy: -1573.259
where: short stacking energy: -663.232
Base-Backbone interact. energy: 0.050
local terms energy: -671.107692
where:
bonds (distance) C4'-P energy: -125.804
bonds (distance) P-C4' energy: -117.523
flat angles C4'-P-C4' energy: -156.359
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -198.917
Dist. restrs. and SS energy: 14.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -2148.029889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.029889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.565707 (E_RNA)
where:
Base-Base interactions energy: -1503.229
where: short stacking energy: -633.278
Base-Backbone interact. energy: -2.689
local terms energy: -656.647577
where:
bonds (distance) C4'-P energy: -108.959
bonds (distance) P-C4' energy: -118.170
flat angles C4'-P-C4' energy: -141.825
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -192.278
Dist. restrs. and SS energy: 14.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -2002.279767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.279767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.394903 (E_RNA)
where:
Base-Base interactions energy: -1395.352
where: short stacking energy: -570.598
Base-Backbone interact. energy: 0.147
local terms energy: -623.189287
where:
bonds (distance) C4'-P energy: -129.702
bonds (distance) P-C4' energy: -123.825
flat angles C4'-P-C4' energy: -128.781
flat angles P-C4'-P energy: -83.727
tors. eta vs tors. theta energy: -157.153
Dist. restrs. and SS energy: 16.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2794.462033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.462033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.665285 (E_RNA)
where:
Base-Base interactions energy: -1969.533
where: short stacking energy: -844.216
Base-Backbone interact. energy: -2.662
local terms energy: -825.470841
where:
bonds (distance) C4'-P energy: -144.854
bonds (distance) P-C4' energy: -142.391
flat angles C4'-P-C4' energy: -165.996
flat angles P-C4'-P energy: -113.666
tors. eta vs tors. theta energy: -258.563
Dist. restrs. and SS energy: 3.203 (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: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2696.514116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.514116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.518732 (E_RNA)
where:
Base-Base interactions energy: -1887.177
where: short stacking energy: -813.381
Base-Backbone interact. energy: -1.489
local terms energy: -810.852467
where:
bonds (distance) C4'-P energy: -138.672
bonds (distance) P-C4' energy: -135.986
flat angles C4'-P-C4' energy: -171.155
flat angles P-C4'-P energy: -117.039
tors. eta vs tors. theta energy: -248.000
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2582.380702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.380702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.764050 (E_RNA)
where:
Base-Base interactions energy: -1820.463
where: short stacking energy: -770.965
Base-Backbone interact. energy: -3.412
local terms energy: -768.889390
where:
bonds (distance) C4'-P energy: -130.627
bonds (distance) P-C4' energy: -143.580
flat angles C4'-P-C4' energy: -168.868
flat angles P-C4'-P energy: -108.151
tors. eta vs tors. theta energy: -217.663
Dist. restrs. and SS energy: 10.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2509.728153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.728153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.121355 (E_RNA)
where:
Base-Base interactions energy: -1791.398
where: short stacking energy: -744.914
Base-Backbone interact. energy: 1.277
local terms energy: -725.000539
where:
bonds (distance) C4'-P energy: -116.942
bonds (distance) P-C4' energy: -128.201
flat angles C4'-P-C4' energy: -153.362
flat angles P-C4'-P energy: -102.525
tors. eta vs tors. theta energy: -223.971
Dist. restrs. and SS energy: 5.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2456.515091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.515091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.744500 (E_RNA)
where:
Base-Base interactions energy: -1730.799
where: short stacking energy: -721.847
Base-Backbone interact. energy: -0.387
local terms energy: -727.559062
where:
bonds (distance) C4'-P energy: -123.261
bonds (distance) P-C4' energy: -139.247
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -101.471
tors. eta vs tors. theta energy: -213.964
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2375.925474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.925474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.471783 (E_RNA)
where:
Base-Base interactions energy: -1677.413
where: short stacking energy: -699.088
Base-Backbone interact. energy: -1.649
local terms energy: -704.409977
where:
bonds (distance) C4'-P energy: -139.919
bonds (distance) P-C4' energy: -107.572
flat angles C4'-P-C4' energy: -146.888
flat angles P-C4'-P energy: -103.156
tors. eta vs tors. theta energy: -206.875
Dist. restrs. and SS energy: 7.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2255.407948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.407948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.046922 (E_RNA)
where:
Base-Base interactions energy: -1570.130
where: short stacking energy: -636.108
Base-Backbone interact. energy: -1.180
local terms energy: -693.736600
where:
bonds (distance) C4'-P energy: -135.510
bonds (distance) P-C4' energy: -129.451
flat angles C4'-P-C4' energy: -158.051
flat angles P-C4'-P energy: -86.241
tors. eta vs tors. theta energy: -184.484
Dist. restrs. and SS energy: 9.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2221.988674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.988674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.241882 (E_RNA)
where:
Base-Base interactions energy: -1571.344
where: short stacking energy: -650.319
Base-Backbone interact. energy: 6.311
local terms energy: -664.208615
where:
bonds (distance) C4'-P energy: -120.405
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -137.584
flat angles P-C4'-P energy: -86.057
tors. eta vs tors. theta energy: -197.598
Dist. restrs. and SS energy: 7.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -2088.867100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.867100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.628538 (E_RNA)
where:
Base-Base interactions energy: -1496.206
where: short stacking energy: -610.514
Base-Backbone interact. energy: -1.438
local terms energy: -598.985238
where:
bonds (distance) C4'-P energy: -103.165
bonds (distance) P-C4' energy: -121.416
flat angles C4'-P-C4' energy: -132.941
flat angles P-C4'-P energy: -70.094
tors. eta vs tors. theta energy: -171.369
Dist. restrs. and SS energy: 7.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1951.327753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.327753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.986745 (E_RNA)
where:
Base-Base interactions energy: -1369.522
where: short stacking energy: -535.300
Base-Backbone interact. energy: -4.256
local terms energy: -600.209108
where:
bonds (distance) C4'-P energy: -118.617
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -81.980
tors. eta vs tors. theta energy: -146.600
Dist. restrs. and SS energy: 22.659 (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: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2817.081872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.081872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.800527 (E_RNA)
where:
Base-Base interactions energy: -1972.690
where: short stacking energy: -829.225
Base-Backbone interact. energy: -5.699
local terms energy: -842.410786
where:
bonds (distance) C4'-P energy: -155.586
bonds (distance) P-C4' energy: -133.557
flat angles C4'-P-C4' energy: -174.794
flat angles P-C4'-P energy: -114.803
tors. eta vs tors. theta energy: -263.671
Dist. restrs. and SS energy: 3.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2664.436614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.436614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.123805 (E_RNA)
where:
Base-Base interactions energy: -1860.099
where: short stacking energy: -797.926
Base-Backbone interact. energy: -3.019
local terms energy: -806.005526
where:
bonds (distance) C4'-P energy: -129.754
bonds (distance) P-C4' energy: -148.770
flat angles C4'-P-C4' energy: -162.603
flat angles P-C4'-P energy: -122.455
tors. eta vs tors. theta energy: -242.423
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: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2569.117249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.117249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.322536 (E_RNA)
where:
Base-Base interactions energy: -1799.919
where: short stacking energy: -747.365
Base-Backbone interact. energy: -2.718
local terms energy: -776.685074
where:
bonds (distance) C4'-P energy: -149.332
bonds (distance) P-C4' energy: -142.578
flat angles C4'-P-C4' energy: -167.033
flat angles P-C4'-P energy: -113.659
tors. eta vs tors. theta energy: -204.084
Dist. restrs. and SS energy: 10.205 (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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2521.902532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.902532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.209386 (E_RNA)
where:
Base-Base interactions energy: -1757.478
where: short stacking energy: -738.693
Base-Backbone interact. energy: -3.626
local terms energy: -767.105378
where:
bonds (distance) C4'-P energy: -144.408
bonds (distance) P-C4' energy: -146.017
flat angles C4'-P-C4' energy: -156.713
flat angles P-C4'-P energy: -90.894
tors. eta vs tors. theta energy: -229.073
Dist. restrs. and SS energy: 6.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2453.102535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.102535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.671324 (E_RNA)
where:
Base-Base interactions energy: -1739.106
where: short stacking energy: -727.865
Base-Backbone interact. energy: -6.089
local terms energy: -712.475798
where:
bonds (distance) C4'-P energy: -119.669
bonds (distance) P-C4' energy: -131.107
flat angles C4'-P-C4' energy: -159.051
flat angles P-C4'-P energy: -90.983
tors. eta vs tors. theta energy: -211.666
Dist. restrs. and SS energy: 4.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2437.556315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.556315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.020084 (E_RNA)
where:
Base-Base interactions energy: -1720.615
where: short stacking energy: -707.102
Base-Backbone interact. energy: -2.515
local terms energy: -724.889835
where:
bonds (distance) C4'-P energy: -118.357
bonds (distance) P-C4' energy: -127.375
flat angles C4'-P-C4' energy: -160.852
flat angles P-C4'-P energy: -95.597
tors. eta vs tors. theta energy: -222.709
Dist. restrs. and SS energy: 10.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2250.954298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.954298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.714061 (E_RNA)
where:
Base-Base interactions energy: -1603.875
where: short stacking energy: -675.577
Base-Backbone interact. energy: 1.542
local terms energy: -660.381350
where:
bonds (distance) C4'-P energy: -120.795
bonds (distance) P-C4' energy: -115.266
flat angles C4'-P-C4' energy: -142.717
flat angles P-C4'-P energy: -80.173
tors. eta vs tors. theta energy: -201.430
Dist. restrs. and SS energy: 11.760 (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: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2225.267522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.267522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.726626 (E_RNA)
where:
Base-Base interactions energy: -1553.109
where: short stacking energy: -668.838
Base-Backbone interact. energy: -1.420
local terms energy: -681.197383
where:
bonds (distance) C4'-P energy: -108.685
bonds (distance) P-C4' energy: -128.580
flat angles C4'-P-C4' energy: -148.163
flat angles P-C4'-P energy: -102.531
tors. eta vs tors. theta energy: -193.239
Dist. restrs. and SS energy: 10.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -2111.040473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.040473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.709904 (E_RNA)
where:
Base-Base interactions energy: -1479.510
where: short stacking energy: -595.879
Base-Backbone interact. energy: 0.357
local terms energy: -646.556660
where:
bonds (distance) C4'-P energy: -125.826
bonds (distance) P-C4' energy: -124.246
flat angles C4'-P-C4' energy: -146.013
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -166.074
Dist. restrs. and SS energy: 14.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -2010.119604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.119604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.479616 (E_RNA)
where:
Base-Base interactions energy: -1440.657
where: short stacking energy: -565.390
Base-Backbone interact. energy: -0.126
local terms energy: -573.696857
where:
bonds (distance) C4'-P energy: -96.501
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -130.581
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -162.638
Dist. restrs. and SS energy: 4.360 (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: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2822.841276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.841276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.965158 (E_RNA)
where:
Base-Base interactions energy: -1993.287
where: short stacking energy: -838.277
Base-Backbone interact. energy: -3.197
local terms energy: -828.480563
where:
bonds (distance) C4'-P energy: -133.146
bonds (distance) P-C4' energy: -143.196
flat angles C4'-P-C4' energy: -169.282
flat angles P-C4'-P energy: -127.269
tors. eta vs tors. theta energy: -255.587
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2677.783630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.783630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.688574 (E_RNA)
where:
Base-Base interactions energy: -1851.858
where: short stacking energy: -798.534
Base-Backbone interact. energy: -5.697
local terms energy: -824.133095
where:
bonds (distance) C4'-P energy: -152.404
bonds (distance) P-C4' energy: -140.511
flat angles C4'-P-C4' energy: -181.413
flat angles P-C4'-P energy: -111.110
tors. eta vs tors. theta energy: -238.696
Dist. restrs. and SS energy: 3.905 (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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2595.851343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.851343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.509179 (E_RNA)
where:
Base-Base interactions energy: -1831.458
where: short stacking energy: -766.559
Base-Backbone interact. energy: -2.447
local terms energy: -772.603684
where:
bonds (distance) C4'-P energy: -140.647
bonds (distance) P-C4' energy: -146.497
flat angles C4'-P-C4' energy: -155.189
flat angles P-C4'-P energy: -115.194
tors. eta vs tors. theta energy: -215.078
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: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2503.919426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.919426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.715236 (E_RNA)
where:
Base-Base interactions energy: -1755.665
where: short stacking energy: -744.110
Base-Backbone interact. energy: -0.467
local terms energy: -753.582910
where:
bonds (distance) C4'-P energy: -126.004
bonds (distance) P-C4' energy: -142.636
flat angles C4'-P-C4' energy: -154.436
flat angles P-C4'-P energy: -106.656
tors. eta vs tors. theta energy: -223.850
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: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2487.247092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.247092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.311709 (E_RNA)
where:
Base-Base interactions energy: -1740.006
where: short stacking energy: -732.613
Base-Backbone interact. energy: -3.339
local terms energy: -746.966196
where:
bonds (distance) C4'-P energy: -129.538
bonds (distance) P-C4' energy: -124.305
flat angles C4'-P-C4' energy: -163.067
flat angles P-C4'-P energy: -102.653
tors. eta vs tors. theta energy: -227.403
Dist. restrs. and SS energy: 3.065 (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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2423.612078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.612078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.991516 (E_RNA)
where:
Base-Base interactions energy: -1705.463
where: short stacking energy: -714.133
Base-Backbone interact. energy: -3.290
local terms energy: -726.238706
where:
bonds (distance) C4'-P energy: -127.826
bonds (distance) P-C4' energy: -130.598
flat angles C4'-P-C4' energy: -137.173
flat angles P-C4'-P energy: -113.366
tors. eta vs tors. theta energy: -217.276
Dist. restrs. and SS energy: 11.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2299.889836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.889836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.949069 (E_RNA)
where:
Base-Base interactions energy: -1627.519
where: short stacking energy: -662.353
Base-Backbone interact. energy: -4.234
local terms energy: -673.196018
where:
bonds (distance) C4'-P energy: -122.701
bonds (distance) P-C4' energy: -112.096
flat angles C4'-P-C4' energy: -137.984
flat angles P-C4'-P energy: -101.824
tors. eta vs tors. theta energy: -198.591
Dist. restrs. and SS energy: 5.059 (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: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -2173.073782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.997557 (E_RNA)
where:
Base-Base interactions energy: -1529.573
where: short stacking energy: -637.403
Base-Backbone interact. energy: -2.051
local terms energy: -653.372882
where:
bonds (distance) C4'-P energy: -129.277
bonds (distance) P-C4' energy: -111.983
flat angles C4'-P-C4' energy: -130.970
flat angles P-C4'-P energy: -94.400
tors. eta vs tors. theta energy: -186.743
Dist. restrs. and SS energy: 11.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -2137.013483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.013483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.091749 (E_RNA)
where:
Base-Base interactions energy: -1504.516
where: short stacking energy: -629.765
Base-Backbone interact. energy: 0.108
local terms energy: -640.683647
where:
bonds (distance) C4'-P energy: -119.652
bonds (distance) P-C4' energy: -122.235
flat angles C4'-P-C4' energy: -125.993
flat angles P-C4'-P energy: -89.673
tors. eta vs tors. theta energy: -183.130
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: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1985.516962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.516962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.672772 (E_RNA)
where:
Base-Base interactions energy: -1410.451
where: short stacking energy: -568.711
Base-Backbone interact. energy: 0.953
local terms energy: -586.174784
where:
bonds (distance) C4'-P energy: -123.061
bonds (distance) P-C4' energy: -97.930
flat angles C4'-P-C4' energy: -124.353
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -163.774
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: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2825.530600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.530600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.012859 (E_RNA)
where:
Base-Base interactions energy: -1996.673
where: short stacking energy: -828.299
Base-Backbone interact. energy: -0.493
local terms energy: -830.846774
where:
bonds (distance) C4'-P energy: -150.125
bonds (distance) P-C4' energy: -141.142
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -110.427
tors. eta vs tors. theta energy: -259.658
Dist. restrs. and SS energy: 2.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2689.804438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.804438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.609553 (E_RNA)
where:
Base-Base interactions energy: -1852.086
where: short stacking energy: -814.312
Base-Backbone interact. energy: -3.878
local terms energy: -837.645474
where:
bonds (distance) C4'-P energy: -151.963
bonds (distance) P-C4' energy: -152.935
flat angles C4'-P-C4' energy: -169.310
flat angles P-C4'-P energy: -117.161
tors. eta vs tors. theta energy: -246.275
Dist. restrs. and SS energy: 3.805 (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: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2579.415297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.415297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.283824 (E_RNA)
where:
Base-Base interactions energy: -1809.632
where: short stacking energy: -768.082
Base-Backbone interact. energy: -2.837
local terms energy: -778.815470
where:
bonds (distance) C4'-P energy: -138.058
bonds (distance) P-C4' energy: -138.955
flat angles C4'-P-C4' energy: -164.906
flat angles P-C4'-P energy: -113.913
tors. eta vs tors. theta energy: -222.984
Dist. restrs. and SS energy: 11.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2538.910757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.910757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.058926 (E_RNA)
where:
Base-Base interactions energy: -1802.062
where: short stacking energy: -756.616
Base-Backbone interact. energy: -3.507
local terms energy: -737.490548
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -126.514
flat angles C4'-P-C4' energy: -148.945
flat angles P-C4'-P energy: -106.897
tors. eta vs tors. theta energy: -227.907
Dist. restrs. and SS energy: 4.148 (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: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2483.438526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.438526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.056544 (E_RNA)
where:
Base-Base interactions energy: -1772.538
where: short stacking energy: -728.054
Base-Backbone interact. energy: -0.858
local terms energy: -715.660538
where:
bonds (distance) C4'-P energy: -100.352
bonds (distance) P-C4' energy: -137.627
flat angles C4'-P-C4' energy: -153.966
flat angles P-C4'-P energy: -104.879
tors. eta vs tors. theta energy: -218.836
Dist. restrs. and SS energy: 5.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2446.187077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.187077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.468180 (E_RNA)
where:
Base-Base interactions energy: -1733.994
where: short stacking energy: -714.009
Base-Backbone interact. energy: -0.324
local terms energy: -723.149776
where:
bonds (distance) C4'-P energy: -107.875
bonds (distance) P-C4' energy: -133.940
flat angles C4'-P-C4' energy: -146.710
flat angles P-C4'-P energy: -115.232
tors. eta vs tors. theta energy: -219.392
Dist. restrs. and SS energy: 11.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2325.257497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.257497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.044987 (E_RNA)
where:
Base-Base interactions energy: -1662.213
where: short stacking energy: -687.236
Base-Backbone interact. energy: -3.222
local terms energy: -665.610829
where:
bonds (distance) C4'-P energy: -105.922
bonds (distance) P-C4' energy: -120.946
flat angles C4'-P-C4' energy: -138.787
flat angles P-C4'-P energy: -101.666
tors. eta vs tors. theta energy: -198.289
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: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2159.242331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.242331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.782087 (E_RNA)
where:
Base-Base interactions energy: -1545.845
where: short stacking energy: -632.105
Base-Backbone interact. energy: -0.814
local terms energy: -622.123071
where:
bonds (distance) C4'-P energy: -116.925
bonds (distance) P-C4' energy: -102.010
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -82.267
tors. eta vs tors. theta energy: -178.225
Dist. restrs. and SS energy: 9.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -2139.364597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.364597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.018634 (E_RNA)
where:
Base-Base interactions energy: -1498.038
where: short stacking energy: -618.096
Base-Backbone interact. energy: -0.353
local terms energy: -650.627760
where:
bonds (distance) C4'-P energy: -132.915
bonds (distance) P-C4' energy: -119.821
flat angles C4'-P-C4' energy: -136.594
flat angles P-C4'-P energy: -78.754
tors. eta vs tors. theta energy: -182.543
Dist. restrs. and SS energy: 9.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -2026.854465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.854465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.924692 (E_RNA)
where:
Base-Base interactions energy: -1408.117
where: short stacking energy: -593.310
Base-Backbone interact. energy: 2.589
local terms energy: -639.396205
where:
bonds (distance) C4'-P energy: -119.283
bonds (distance) P-C4' energy: -135.200
flat angles C4'-P-C4' energy: -123.397
flat angles P-C4'-P energy: -94.568
tors. eta vs tors. theta energy: -166.948
Dist. restrs. and SS energy: 18.070 (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: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2790.637434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.637434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.845121 (E_RNA)
where:
Base-Base interactions energy: -1933.047
where: short stacking energy: -814.808
Base-Backbone interact. energy: -3.124
local terms energy: -857.673622
where:
bonds (distance) C4'-P energy: -146.202
bonds (distance) P-C4' energy: -160.352
flat angles C4'-P-C4' energy: -165.432
flat angles P-C4'-P energy: -127.505
tors. eta vs tors. theta energy: -258.182
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2696.238244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.238244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.707192 (E_RNA)
where:
Base-Base interactions energy: -1880.797
where: short stacking energy: -807.013
Base-Backbone interact. energy: -3.220
local terms energy: -814.690068
where:
bonds (distance) C4'-P energy: -139.760
bonds (distance) P-C4' energy: -139.263
flat angles C4'-P-C4' energy: -170.814
flat angles P-C4'-P energy: -111.609
tors. eta vs tors. theta energy: -253.244
Dist. restrs. and SS energy: 2.469 (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: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2599.554211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.554211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.770995 (E_RNA)
where:
Base-Base interactions energy: -1833.994
where: short stacking energy: -759.774
Base-Backbone interact. energy: -0.777
local terms energy: -777.999434
where:
bonds (distance) C4'-P energy: -145.340
bonds (distance) P-C4' energy: -141.898
flat angles C4'-P-C4' energy: -165.629
flat angles P-C4'-P energy: -108.730
tors. eta vs tors. theta energy: -216.402
Dist. restrs. and SS energy: 13.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2630.172670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.172670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.963532 (E_RNA)
where:
Base-Base interactions energy: -1832.387
where: short stacking energy: -787.693
Base-Backbone interact. energy: -2.695
local terms energy: -797.881894
where:
bonds (distance) C4'-P energy: -126.541
bonds (distance) P-C4' energy: -147.792
flat angles C4'-P-C4' energy: -172.435
flat angles P-C4'-P energy: -117.128
tors. eta vs tors. theta energy: -233.986
Dist. restrs. and SS energy: 2.791 (S_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: 280
Temperature: 1.100000
Total energy: -2489.950551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.950551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.199734 (E_RNA)
where:
Base-Base interactions energy: -1724.495
where: short stacking energy: -728.615
Base-Backbone interact. energy: -3.267
local terms energy: -769.438156
where:
bonds (distance) C4'-P energy: -150.955
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -146.210
flat angles P-C4'-P energy: -101.739
tors. eta vs tors. theta energy: -224.130
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: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2398.845004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.845004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.299282 (E_RNA)
where:
Base-Base interactions energy: -1673.512
where: short stacking energy: -700.443
Base-Backbone interact. energy: -0.964
local terms energy: -736.822456
where:
bonds (distance) C4'-P energy: -118.160
bonds (distance) P-C4' energy: -141.286
flat angles C4'-P-C4' energy: -147.788
flat angles P-C4'-P energy: -112.677
tors. eta vs tors. theta energy: -216.912
Dist. restrs. and SS energy: 12.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2289.952962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.952962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.235707 (E_RNA)
where:
Base-Base interactions energy: -1631.488
where: short stacking energy: -699.158
Base-Backbone interact. energy: 3.052
local terms energy: -668.799992
where:
bonds (distance) C4'-P energy: -118.412
bonds (distance) P-C4' energy: -126.886
flat angles C4'-P-C4' energy: -139.826
flat angles P-C4'-P energy: -96.060
tors. eta vs tors. theta energy: -187.616
Dist. restrs. and SS energy: 7.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2207.646737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.646737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.104009 (E_RNA)
where:
Base-Base interactions energy: -1540.492
where: short stacking energy: -637.966
Base-Backbone interact. energy: -0.093
local terms energy: -673.519083
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -130.173
flat angles C4'-P-C4' energy: -139.639
flat angles P-C4'-P energy: -91.869
tors. eta vs tors. theta energy: -192.725
Dist. restrs. and SS energy: 6.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -2110.647759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.647759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.562232 (E_RNA)
where:
Base-Base interactions energy: -1483.156
where: short stacking energy: -601.503
Base-Backbone interact. energy: -0.662
local terms energy: -639.744929
where:
bonds (distance) C4'-P energy: -113.139
bonds (distance) P-C4' energy: -135.559
flat angles C4'-P-C4' energy: -122.590
flat angles P-C4'-P energy: -86.589
tors. eta vs tors. theta energy: -181.868
Dist. restrs. and SS energy: 12.914 (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: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -2003.704191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.704191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.266698 (E_RNA)
where:
Base-Base interactions energy: -1440.730
where: short stacking energy: -587.521
Base-Backbone interact. energy: 4.195
local terms energy: -582.732219
where:
bonds (distance) C4'-P energy: -116.904
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -120.362
flat angles P-C4'-P energy: -76.489
tors. eta vs tors. theta energy: -160.650
Dist. restrs. and SS energy: 15.563 (S_DIST_RNA)
chem. 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: -2803.807324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.807324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.683540 (E_RNA)
where:
Base-Base interactions energy: -1954.789
where: short stacking energy: -848.970
Base-Backbone interact. energy: -4.121
local terms energy: -847.774142
where:
bonds (distance) C4'-P energy: -143.795
bonds (distance) P-C4' energy: -148.901
flat angles C4'-P-C4' energy: -184.810
flat angles P-C4'-P energy: -108.456
tors. eta vs tors. theta energy: -261.812
Dist. restrs. and SS energy: 2.876 (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: 281
Temperature: 0.950000
Total energy: -2698.699773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.699773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.126430 (E_RNA)
where:
Base-Base interactions energy: -1863.237
where: short stacking energy: -810.999
Base-Backbone interact. energy: -0.938
local terms energy: -838.952278
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -153.749
flat angles C4'-P-C4' energy: -179.193
flat angles P-C4'-P energy: -125.342
tors. eta vs tors. theta energy: -240.056
Dist. restrs. and SS energy: 4.427 (S_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: 281
Temperature: 1.000000
Total energy: -2601.679178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.679178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.367644 (E_RNA)
where:
Base-Base interactions energy: -1834.763
where: short stacking energy: -777.111
Base-Backbone interact. energy: 2.144
local terms energy: -781.749408
where:
bonds (distance) C4'-P energy: -140.885
bonds (distance) P-C4' energy: -137.934
flat angles C4'-P-C4' energy: -164.676
flat angles P-C4'-P energy: -107.461
tors. eta vs tors. theta energy: -230.793
Dist. restrs. and SS energy: 12.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2563.324852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.401481 (E_RNA)
where:
Base-Base interactions energy: -1802.649
where: short stacking energy: -756.378
Base-Backbone interact. energy: -1.644
local terms energy: -761.108476
where:
bonds (distance) C4'-P energy: -129.995
bonds (distance) P-C4' energy: -123.085
flat angles C4'-P-C4' energy: -164.803
flat angles P-C4'-P energy: -109.698
tors. eta vs tors. theta energy: -233.527
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: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2504.144529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.144529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.117160 (E_RNA)
where:
Base-Base interactions energy: -1734.746
where: short stacking energy: -722.209
Base-Backbone interact. energy: -0.552
local terms energy: -773.818813
where:
bonds (distance) C4'-P energy: -136.808
bonds (distance) P-C4' energy: -141.883
flat angles C4'-P-C4' energy: -161.329
flat angles P-C4'-P energy: -111.913
tors. eta vs tors. theta energy: -221.885
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2362.299929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.299929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.602595 (E_RNA)
where:
Base-Base interactions energy: -1706.615
where: short stacking energy: -697.765
Base-Backbone interact. energy: -3.021
local terms energy: -665.966613
where:
bonds (distance) C4'-P energy: -117.437
bonds (distance) P-C4' energy: -124.797
flat angles C4'-P-C4' energy: -135.719
flat angles P-C4'-P energy: -78.473
tors. eta vs tors. theta energy: -209.541
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: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2270.814658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.814658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.096033 (E_RNA)
where:
Base-Base interactions energy: -1605.455
where: short stacking energy: -666.096
Base-Backbone interact. energy: -2.687
local terms energy: -668.954079
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -116.602
flat angles C4'-P-C4' energy: -149.439
flat angles P-C4'-P energy: -103.301
tors. eta vs tors. theta energy: -197.743
Dist. restrs. and SS energy: 6.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2177.169263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.169263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.791786 (E_RNA)
where:
Base-Base interactions energy: -1556.890
where: short stacking energy: -646.151
Base-Backbone interact. energy: -0.625
local terms energy: -627.277603
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -101.930
flat angles C4'-P-C4' energy: -140.515
flat angles P-C4'-P energy: -95.864
tors. eta vs tors. theta energy: -180.569
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: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -2213.083981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.083981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.832526 (E_RNA)
where:
Base-Base interactions energy: -1580.762
where: short stacking energy: -670.258
Base-Backbone interact. energy: 2.999
local terms energy: -642.069460
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -114.117
flat angles C4'-P-C4' energy: -138.320
flat angles P-C4'-P energy: -87.673
tors. eta vs tors. theta energy: -195.037
Dist. restrs. and SS energy: 6.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -2056.034761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.034761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.297123 (E_RNA)
where:
Base-Base interactions energy: -1486.599
where: short stacking energy: -583.559
Base-Backbone interact. energy: 6.593
local terms energy: -585.291244
where:
bonds (distance) C4'-P energy: -73.778
bonds (distance) P-C4' energy: -118.055
flat angles C4'-P-C4' energy: -135.630
flat angles P-C4'-P energy: -96.015
tors. eta vs tors. theta energy: -161.813
Dist. restrs. and SS energy: 9.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2793.666280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.957700 (E_RNA)
where:
Base-Base interactions energy: -1966.753
where: short stacking energy: -845.694
Base-Backbone interact. energy: -2.128
local terms energy: -828.077001
where:
bonds (distance) C4'-P energy: -143.398
bonds (distance) P-C4' energy: -145.794
flat angles C4'-P-C4' energy: -166.692
flat angles P-C4'-P energy: -117.642
tors. eta vs tors. theta energy: -254.551
Dist. restrs. and SS energy: 3.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2674.991610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.991610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.589006 (E_RNA)
where:
Base-Base interactions energy: -1870.090
where: short stacking energy: -791.571
Base-Backbone interact. energy: 3.976
local terms energy: -813.475807
where:
bonds (distance) C4'-P energy: -138.933
bonds (distance) P-C4' energy: -147.774
flat angles C4'-P-C4' energy: -172.953
flat angles P-C4'-P energy: -120.220
tors. eta vs tors. theta energy: -233.597
Dist. restrs. and SS energy: 4.597 (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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2597.924729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.924729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.444299 (E_RNA)
where:
Base-Base interactions energy: -1804.386
where: short stacking energy: -750.781
Base-Backbone interact. energy: -3.912
local terms energy: -796.146961
where:
bonds (distance) C4'-P energy: -143.524
bonds (distance) P-C4' energy: -150.661
flat angles C4'-P-C4' energy: -169.804
flat angles P-C4'-P energy: -112.684
tors. eta vs tors. theta energy: -219.474
Dist. restrs. and SS energy: 6.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2557.479093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.479093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.470413 (E_RNA)
where:
Base-Base interactions energy: -1786.621
where: short stacking energy: -773.267
Base-Backbone interact. energy: -3.556
local terms energy: -771.293736
where:
bonds (distance) C4'-P energy: -134.406
bonds (distance) P-C4' energy: -141.671
flat angles C4'-P-C4' energy: -163.944
flat angles P-C4'-P energy: -104.367
tors. eta vs tors. theta energy: -226.905
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2482.286794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.286794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.662064 (E_RNA)
where:
Base-Base interactions energy: -1759.105
where: short stacking energy: -758.201
Base-Backbone interact. energy: 2.508
local terms energy: -729.064714
where:
bonds (distance) C4'-P energy: -124.471
bonds (distance) P-C4' energy: -125.848
flat angles C4'-P-C4' energy: -160.472
flat angles P-C4'-P energy: -98.029
tors. eta vs tors. theta energy: -220.246
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2355.710972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.710972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.381057 (E_RNA)
where:
Base-Base interactions energy: -1663.238
where: short stacking energy: -712.043
Base-Backbone interact. energy: 3.334
local terms energy: -702.476986
where:
bonds (distance) C4'-P energy: -137.704
bonds (distance) P-C4' energy: -106.479
flat angles C4'-P-C4' energy: -136.163
flat angles P-C4'-P energy: -110.559
tors. eta vs tors. theta energy: -211.572
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: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2257.869300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.869300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.445430 (E_RNA)
where:
Base-Base interactions energy: -1576.778
where: short stacking energy: -646.544
Base-Backbone interact. energy: -2.236
local terms energy: -687.431823
where:
bonds (distance) C4'-P energy: -129.385
bonds (distance) P-C4' energy: -125.818
flat angles C4'-P-C4' energy: -153.116
flat angles P-C4'-P energy: -82.482
tors. eta vs tors. theta energy: -196.631
Dist. restrs. and SS energy: 8.576 (S_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: 282
Temperature: 1.250000
Total energy: -2174.670100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.670100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.447128 (E_RNA)
where:
Base-Base interactions energy: -1543.148
where: short stacking energy: -638.742
Base-Backbone interact. energy: 4.129
local terms energy: -644.428108
where:
bonds (distance) C4'-P energy: -112.681
bonds (distance) P-C4' energy: -113.507
flat angles C4'-P-C4' energy: -140.738
flat angles P-C4'-P energy: -76.958
tors. eta vs tors. theta energy: -200.544
Dist. restrs. and SS energy: 8.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -2177.417426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.417426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.164708 (E_RNA)
where:
Base-Base interactions energy: -1564.255
where: short stacking energy: -640.194
Base-Backbone interact. energy: -2.720
local terms energy: -619.189981
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -139.441
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -181.838
Dist. restrs. and SS energy: 8.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -2016.455997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.455997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.541299 (E_RNA)
where:
Base-Base interactions energy: -1441.322
where: short stacking energy: -598.219
Base-Backbone interact. energy: 1.463
local terms energy: -589.681700
where:
bonds (distance) C4'-P energy: -101.388
bonds (distance) P-C4' energy: -118.089
flat angles C4'-P-C4' energy: -115.484
flat angles P-C4'-P energy: -90.775
tors. eta vs tors. theta energy: -163.945
Dist. restrs. and SS energy: 13.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2803.639222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.639222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.627762 (E_RNA)
where:
Base-Base interactions energy: -1961.902
where: short stacking energy: -824.341
Base-Backbone interact. energy: -0.892
local terms energy: -843.833545
where:
bonds (distance) C4'-P energy: -132.437
bonds (distance) P-C4' energy: -148.154
flat angles C4'-P-C4' energy: -175.671
flat angles P-C4'-P energy: -131.178
tors. eta vs tors. theta energy: -256.394
Dist. restrs. and SS energy: 2.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2681.213911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.213911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.741424 (E_RNA)
where:
Base-Base interactions energy: -1890.192
where: short stacking energy: -800.501
Base-Backbone interact. energy: -4.665
local terms energy: -788.884236
where:
bonds (distance) C4'-P energy: -133.756
bonds (distance) P-C4' energy: -133.163
flat angles C4'-P-C4' energy: -172.574
flat angles P-C4'-P energy: -115.449
tors. eta vs tors. theta energy: -233.942
Dist. restrs. and SS energy: 2.528 (S_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: 283
Temperature: 1.000000
Total energy: -2545.558945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.558945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.870950 (E_RNA)
where:
Base-Base interactions energy: -1783.113
where: short stacking energy: -747.224
Base-Backbone interact. energy: -2.941
local terms energy: -766.816655
where:
bonds (distance) C4'-P energy: -133.297
bonds (distance) P-C4' energy: -150.097
flat angles C4'-P-C4' energy: -157.361
flat angles P-C4'-P energy: -109.992
tors. eta vs tors. theta energy: -216.070
Dist. restrs. and SS energy: 7.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2522.191085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.191085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.555254 (E_RNA)
where:
Base-Base interactions energy: -1777.141
where: short stacking energy: -749.231
Base-Backbone interact. energy: -3.106
local terms energy: -744.309185
where:
bonds (distance) C4'-P energy: -118.628
bonds (distance) P-C4' energy: -133.551
flat angles C4'-P-C4' energy: -156.430
flat angles P-C4'-P energy: -101.963
tors. eta vs tors. theta energy: -233.737
Dist. restrs. and SS energy: 2.364 (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: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2468.510958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.510958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.535517 (E_RNA)
where:
Base-Base interactions energy: -1715.017
where: short stacking energy: -703.275
Base-Backbone interact. energy: -2.537
local terms energy: -756.981557
where:
bonds (distance) C4'-P energy: -129.090
bonds (distance) P-C4' energy: -140.171
flat angles C4'-P-C4' energy: -154.433
flat angles P-C4'-P energy: -110.658
tors. eta vs tors. theta energy: -222.630
Dist. restrs. and SS energy: 6.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2383.707708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.707708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.279405 (E_RNA)
where:
Base-Base interactions energy: -1685.784
where: short stacking energy: -715.381
Base-Backbone interact. energy: -2.056
local terms energy: -702.439626
where:
bonds (distance) C4'-P energy: -132.349
bonds (distance) P-C4' energy: -119.065
flat angles C4'-P-C4' energy: -144.202
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -228.135
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: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2236.859139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.859139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.089740 (E_RNA)
where:
Base-Base interactions energy: -1567.473
where: short stacking energy: -658.329
Base-Backbone interact. energy: 0.997
local terms energy: -676.613681
where:
bonds (distance) C4'-P energy: -115.230
bonds (distance) P-C4' energy: -121.053
flat angles C4'-P-C4' energy: -150.961
flat angles P-C4'-P energy: -98.222
tors. eta vs tors. theta energy: -191.147
Dist. restrs. and SS energy: 6.231 (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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2274.835613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.835613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.095534 (E_RNA)
where:
Base-Base interactions energy: -1606.057
where: short stacking energy: -699.445
Base-Backbone interact. energy: -2.764
local terms energy: -672.274890
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -129.481
flat angles C4'-P-C4' energy: -150.649
flat angles P-C4'-P energy: -83.506
tors. eta vs tors. theta energy: -194.022
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -2178.660726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.660726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.194322 (E_RNA)
where:
Base-Base interactions energy: -1523.251
where: short stacking energy: -630.282
Base-Backbone interact. energy: -4.658
local terms energy: -659.285222
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -114.498
flat angles C4'-P-C4' energy: -145.425
flat angles P-C4'-P energy: -88.100
tors. eta vs tors. theta energy: -188.737
Dist. restrs. and SS energy: 8.534 (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: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1979.401450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.401450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.710542 (E_RNA)
where:
Base-Base interactions energy: -1420.049
where: short stacking energy: -586.166
Base-Backbone interact. energy: 1.449
local terms energy: -580.110382
where:
bonds (distance) C4'-P energy: -101.873
bonds (distance) P-C4' energy: -108.622
flat angles C4'-P-C4' energy: -124.453
flat angles P-C4'-P energy: -85.953
tors. eta vs tors. theta energy: -159.210
Dist. restrs. and SS energy: 19.309 (S_DIST_RNA)
chem. 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: -2799.769494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.769494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.843967 (E_RNA)
where:
Base-Base interactions energy: -1964.180
where: short stacking energy: -837.455
Base-Backbone interact. energy: -4.049
local terms energy: -835.615031
where:
bonds (distance) C4'-P energy: -136.125
bonds (distance) P-C4' energy: -154.021
flat angles C4'-P-C4' energy: -169.411
flat angles P-C4'-P energy: -126.614
tors. eta vs tors. theta energy: -249.444
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2671.358052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.358052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.817194 (E_RNA)
where:
Base-Base interactions energy: -1865.914
where: short stacking energy: -779.221
Base-Backbone interact. energy: -2.578
local terms energy: -806.325282
where:
bonds (distance) C4'-P energy: -132.278
bonds (distance) P-C4' energy: -148.107
flat angles C4'-P-C4' energy: -165.004
flat angles P-C4'-P energy: -127.510
tors. eta vs tors. theta energy: -233.427
Dist. restrs. and SS energy: 3.459 (S_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: 284
Temperature: 1.000000
Total energy: -2582.765279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.765279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.370547 (E_RNA)
where:
Base-Base interactions energy: -1805.933
where: short stacking energy: -766.574
Base-Backbone interact. energy: -3.165
local terms energy: -781.272213
where:
bonds (distance) C4'-P energy: -136.505
bonds (distance) P-C4' energy: -144.702
flat angles C4'-P-C4' energy: -167.574
flat angles P-C4'-P energy: -111.626
tors. eta vs tors. theta energy: -220.866
Dist. restrs. and SS energy: 7.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2511.067949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.067949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.269455 (E_RNA)
where:
Base-Base interactions energy: -1778.602
where: short stacking energy: -748.208
Base-Backbone interact. energy: 4.590
local terms energy: -740.257520
where:
bonds (distance) C4'-P energy: -116.116
bonds (distance) P-C4' energy: -134.886
flat angles C4'-P-C4' energy: -160.132
flat angles P-C4'-P energy: -102.214
tors. eta vs tors. theta energy: -226.909
Dist. restrs. and SS energy: 3.202 (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: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2443.270169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.270169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.471220 (E_RNA)
where:
Base-Base interactions energy: -1702.382
where: short stacking energy: -718.873
Base-Backbone interact. energy: -4.593
local terms energy: -742.496193
where:
bonds (distance) C4'-P energy: -127.356
bonds (distance) P-C4' energy: -140.550
flat angles C4'-P-C4' energy: -160.865
flat angles P-C4'-P energy: -96.843
tors. eta vs tors. theta energy: -216.882
Dist. restrs. and SS energy: 6.201 (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: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2419.469270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.469270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.239962 (E_RNA)
where:
Base-Base interactions energy: -1723.819
where: short stacking energy: -696.288
Base-Backbone interact. energy: -3.122
local terms energy: -698.299067
where:
bonds (distance) C4'-P energy: -125.981
bonds (distance) P-C4' energy: -119.506
flat angles C4'-P-C4' energy: -149.921
flat angles P-C4'-P energy: -86.964
tors. eta vs tors. theta energy: -215.927
Dist. restrs. and SS energy: 5.771 (S_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: 284
Temperature: 1.200000
Total energy: -2236.020616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.020616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.704952 (E_RNA)
where:
Base-Base interactions energy: -1564.652
where: short stacking energy: -672.756
Base-Backbone interact. energy: -1.104
local terms energy: -679.948797
where:
bonds (distance) C4'-P energy: -125.828
bonds (distance) P-C4' energy: -132.857
flat angles C4'-P-C4' energy: -147.566
flat angles P-C4'-P energy: -88.717
tors. eta vs tors. theta energy: -184.981
Dist. restrs. and SS energy: 9.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2250.198731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.702875 (E_RNA)
where:
Base-Base interactions energy: -1596.845
where: short stacking energy: -676.039
Base-Backbone interact. energy: 2.292
local terms energy: -663.149923
where:
bonds (distance) C4'-P energy: -110.919
bonds (distance) P-C4' energy: -109.801
flat angles C4'-P-C4' energy: -151.141
flat angles P-C4'-P energy: -96.613
tors. eta vs tors. theta energy: -194.676
Dist. restrs. and SS energy: 7.504 (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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -2117.202410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.202410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.700512 (E_RNA)
where:
Base-Base interactions energy: -1492.811
where: short stacking energy: -625.475
Base-Backbone interact. energy: -3.762
local terms energy: -632.127204
where:
bonds (distance) C4'-P energy: -117.101
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -134.461
flat angles P-C4'-P energy: -100.544
tors. eta vs tors. theta energy: -165.083
Dist. restrs. and SS energy: 11.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1970.117400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.117400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.874345 (E_RNA)
where:
Base-Base interactions energy: -1370.824
where: short stacking energy: -566.488
Base-Backbone interact. energy: 0.470
local terms energy: -613.519659
where:
bonds (distance) C4'-P energy: -111.124
bonds (distance) P-C4' energy: -112.471
flat angles C4'-P-C4' energy: -135.359
flat angles P-C4'-P energy: -92.905
tors. eta vs tors. theta energy: -161.661
Dist. restrs. and SS energy: 13.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2804.432810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.432810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.164959 (E_RNA)
where:
Base-Base interactions energy: -1940.990
where: short stacking energy: -826.103
Base-Backbone interact. energy: -3.255
local terms energy: -863.919313
where:
bonds (distance) C4'-P energy: -151.900
bonds (distance) P-C4' energy: -158.080
flat angles C4'-P-C4' energy: -175.075
flat angles P-C4'-P energy: -128.099
tors. eta vs tors. theta energy: -250.766
Dist. restrs. and SS energy: 3.732 (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: 285
Temperature: 0.950000
Total energy: -2646.476680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.476680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.872231 (E_RNA)
where:
Base-Base interactions energy: -1872.762
where: short stacking energy: -781.412
Base-Backbone interact. energy: -2.828
local terms energy: -776.281817
where:
bonds (distance) C4'-P energy: -151.000
bonds (distance) P-C4' energy: -137.953
flat angles C4'-P-C4' energy: -153.592
flat angles P-C4'-P energy: -109.019
tors. eta vs tors. theta energy: -224.718
Dist. restrs. and SS energy: 5.396 (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: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2546.208501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.208501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.566580 (E_RNA)
where:
Base-Base interactions energy: -1791.866
where: short stacking energy: -746.091
Base-Backbone interact. energy: -5.808
local terms energy: -756.892949
where:
bonds (distance) C4'-P energy: -134.742
bonds (distance) P-C4' energy: -132.675
flat angles C4'-P-C4' energy: -159.881
flat angles P-C4'-P energy: -108.379
tors. eta vs tors. theta energy: -221.216
Dist. restrs. and SS energy: 8.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2524.448508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.448508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.127591 (E_RNA)
where:
Base-Base interactions energy: -1743.927
where: short stacking energy: -738.824
Base-Backbone interact. energy: 0.160
local terms energy: -786.360660
where:
bonds (distance) C4'-P energy: -134.148
bonds (distance) P-C4' energy: -140.877
flat angles C4'-P-C4' energy: -160.354
flat angles P-C4'-P energy: -121.782
tors. eta vs tors. theta energy: -229.199
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: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2468.170283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.170283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.458149 (E_RNA)
where:
Base-Base interactions energy: -1729.216
where: short stacking energy: -734.825
Base-Backbone interact. energy: -3.616
local terms energy: -737.626745
where:
bonds (distance) C4'-P energy: -112.559
bonds (distance) P-C4' energy: -144.017
flat angles C4'-P-C4' energy: -142.939
flat angles P-C4'-P energy: -117.478
tors. eta vs tors. theta energy: -220.634
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2419.744316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.744316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.733331 (E_RNA)
where:
Base-Base interactions energy: -1690.412
where: short stacking energy: -726.451
Base-Backbone interact. energy: 3.967
local terms energy: -740.288679
where:
bonds (distance) C4'-P energy: -131.715
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -153.859
flat angles P-C4'-P energy: -97.918
tors. eta vs tors. theta energy: -226.013
Dist. restrs. and SS energy: 6.989 (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: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2224.823023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.823023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.742074 (E_RNA)
where:
Base-Base interactions energy: -1550.786
where: short stacking energy: -638.062
Base-Backbone interact. energy: 1.556
local terms energy: -684.512038
where:
bonds (distance) C4'-P energy: -115.330
bonds (distance) P-C4' energy: -131.082
flat angles C4'-P-C4' energy: -154.907
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -193.913
Dist. restrs. and SS energy: 8.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2257.031696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.031696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.749557 (E_RNA)
where:
Base-Base interactions energy: -1599.930
where: short stacking energy: -668.082
Base-Backbone interact. energy: 0.473
local terms energy: -663.292383
where:
bonds (distance) C4'-P energy: -91.949
bonds (distance) P-C4' energy: -125.916
flat angles C4'-P-C4' energy: -144.523
flat angles P-C4'-P energy: -96.084
tors. eta vs tors. theta energy: -204.821
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: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -2118.888373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.888373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.710082 (E_RNA)
where:
Base-Base interactions energy: -1532.672
where: short stacking energy: -616.772
Base-Backbone interact. energy: -2.173
local terms energy: -597.864925
where:
bonds (distance) C4'-P energy: -101.763
bonds (distance) P-C4' energy: -97.750
flat angles C4'-P-C4' energy: -136.202
flat angles P-C4'-P energy: -71.803
tors. eta vs tors. theta energy: -190.347
Dist. restrs. and SS energy: 13.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1994.776951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.776951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.710070 (E_RNA)
where:
Base-Base interactions energy: -1434.625
where: short stacking energy: -566.653
Base-Backbone interact. energy: 1.386
local terms energy: -577.471262
where:
bonds (distance) C4'-P energy: -97.266
bonds (distance) P-C4' energy: -116.526
flat angles C4'-P-C4' energy: -129.377
flat angles P-C4'-P energy: -71.140
tors. eta vs tors. theta energy: -163.162
Dist. restrs. and SS energy: 15.933 (S_DIST_RNA)
chem. 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: -2788.693449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.693449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.570206 (E_RNA)
where:
Base-Base interactions energy: -1936.693
where: short stacking energy: -801.727
Base-Backbone interact. energy: -2.368
local terms energy: -853.509023
where:
bonds (distance) C4'-P energy: -150.197
bonds (distance) P-C4' energy: -151.842
flat angles C4'-P-C4' energy: -185.001
flat angles P-C4'-P energy: -110.981
tors. eta vs tors. theta energy: -255.488
Dist. restrs. and SS energy: 3.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2649.337105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.337105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.060974 (E_RNA)
where:
Base-Base interactions energy: -1823.690
where: short stacking energy: -771.118
Base-Backbone interact. energy: -2.520
local terms energy: -828.850826
where:
bonds (distance) C4'-P energy: -147.899
bonds (distance) P-C4' energy: -156.696
flat angles C4'-P-C4' energy: -168.017
flat angles P-C4'-P energy: -124.126
tors. eta vs tors. theta energy: -232.113
Dist. restrs. and SS energy: 5.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2565.874563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.874563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.683604 (E_RNA)
where:
Base-Base interactions energy: -1835.153
where: short stacking energy: -758.145
Base-Backbone interact. energy: 3.025
local terms energy: -737.556249
where:
bonds (distance) C4'-P energy: -140.116
bonds (distance) P-C4' energy: -123.635
flat angles C4'-P-C4' energy: -160.338
flat angles P-C4'-P energy: -102.603
tors. eta vs tors. theta energy: -210.864
Dist. restrs. and SS energy: 3.809 (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: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2566.327068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.327068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.446834 (E_RNA)
where:
Base-Base interactions energy: -1791.829
where: short stacking energy: -771.398
Base-Backbone interact. energy: -3.834
local terms energy: -773.783969
where:
bonds (distance) C4'-P energy: -136.488
bonds (distance) P-C4' energy: -126.563
flat angles C4'-P-C4' energy: -166.876
flat angles P-C4'-P energy: -106.037
tors. eta vs tors. theta energy: -237.819
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2436.515473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.515473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.300155 (E_RNA)
where:
Base-Base interactions energy: -1700.047
where: short stacking energy: -731.112
Base-Backbone interact. energy: -4.598
local terms energy: -736.655014
where:
bonds (distance) C4'-P energy: -126.046
bonds (distance) P-C4' energy: -143.013
flat angles C4'-P-C4' energy: -155.537
flat angles P-C4'-P energy: -106.911
tors. eta vs tors. theta energy: -205.149
Dist. restrs. and SS energy: 4.785 (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: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2402.376399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.376399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.440605 (E_RNA)
where:
Base-Base interactions energy: -1706.263
where: short stacking energy: -699.892
Base-Backbone interact. energy: -3.432
local terms energy: -700.745515
where:
bonds (distance) C4'-P energy: -131.765
bonds (distance) P-C4' energy: -123.184
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -198.221
Dist. restrs. and SS energy: 8.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2297.223955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.223955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.215041 (E_RNA)
where:
Base-Base interactions energy: -1629.944
where: short stacking energy: -668.023
Base-Backbone interact. energy: -5.262
local terms energy: -669.009957
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -133.908
flat angles C4'-P-C4' energy: -146.727
flat angles P-C4'-P energy: -79.742
tors. eta vs tors. theta energy: -184.854
Dist. restrs. and SS energy: 6.991 (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: 286
Temperature: 1.250000
Total energy: -2181.004016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.004016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.660117 (E_RNA)
where:
Base-Base interactions energy: -1549.545
where: short stacking energy: -648.929
Base-Backbone interact. energy: -1.809
local terms energy: -637.305830
where:
bonds (distance) C4'-P energy: -128.324
bonds (distance) P-C4' energy: -86.176
flat angles C4'-P-C4' energy: -127.429
flat angles P-C4'-P energy: -109.357
tors. eta vs tors. theta energy: -186.020
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: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -2164.511840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.511840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.602086 (E_RNA)
where:
Base-Base interactions energy: -1544.063
where: short stacking energy: -630.582
Base-Backbone interact. energy: -1.767
local terms energy: -627.771971
where:
bonds (distance) C4'-P energy: -111.190
bonds (distance) P-C4' energy: -126.825
flat angles C4'-P-C4' energy: -132.467
flat angles P-C4'-P energy: -81.703
tors. eta vs tors. theta energy: -175.587
Dist. restrs. and SS energy: 9.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1956.462866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.462866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.206831 (E_RNA)
where:
Base-Base interactions energy: -1386.559
where: short stacking energy: -569.153
Base-Backbone interact. energy: 1.113
local terms energy: -589.761039
where:
bonds (distance) C4'-P energy: -110.103
bonds (distance) P-C4' energy: -101.088
flat angles C4'-P-C4' energy: -136.641
flat angles P-C4'-P energy: -88.472
tors. eta vs tors. theta energy: -153.457
Dist. restrs. and SS energy: 18.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2802.467832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.467832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.792448 (E_RNA)
where:
Base-Base interactions energy: -1967.375
where: short stacking energy: -803.518
Base-Backbone interact. energy: -3.858
local terms energy: -835.559363
where:
bonds (distance) C4'-P energy: -154.302
bonds (distance) P-C4' energy: -161.186
flat angles C4'-P-C4' energy: -171.832
flat angles P-C4'-P energy: -107.517
tors. eta vs tors. theta energy: -240.722
Dist. restrs. and SS energy: 4.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2638.044650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.044650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.380412 (E_RNA)
where:
Base-Base interactions energy: -1823.994
where: short stacking energy: -785.475
Base-Backbone interact. energy: -2.030
local terms energy: -814.356473
where:
bonds (distance) C4'-P energy: -145.002
bonds (distance) P-C4' energy: -142.848
flat angles C4'-P-C4' energy: -169.811
flat angles P-C4'-P energy: -121.154
tors. eta vs tors. theta energy: -235.542
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2589.963706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.963706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.285856 (E_RNA)
where:
Base-Base interactions energy: -1840.538
where: short stacking energy: -773.079
Base-Backbone interact. energy: -5.678
local terms energy: -751.070738
where:
bonds (distance) C4'-P energy: -104.291
bonds (distance) P-C4' energy: -150.452
flat angles C4'-P-C4' energy: -165.184
flat angles P-C4'-P energy: -106.047
tors. eta vs tors. theta energy: -225.097
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: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2598.691957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.691957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.377838 (E_RNA)
where:
Base-Base interactions energy: -1817.488
where: short stacking energy: -781.961
Base-Backbone interact. energy: -2.931
local terms energy: -781.959139
where:
bonds (distance) C4'-P energy: -143.660
bonds (distance) P-C4' energy: -124.691
flat angles C4'-P-C4' energy: -157.437
flat angles P-C4'-P energy: -117.072
tors. eta vs tors. theta energy: -239.100
Dist. restrs. and SS energy: 3.686 (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: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2441.515804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.515804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.498416 (E_RNA)
where:
Base-Base interactions energy: -1713.076
where: short stacking energy: -715.247
Base-Backbone interact. energy: -3.176
local terms energy: -729.246628
where:
bonds (distance) C4'-P energy: -128.608
bonds (distance) P-C4' energy: -122.517
flat angles C4'-P-C4' energy: -163.121
flat angles P-C4'-P energy: -102.430
tors. eta vs tors. theta energy: -212.570
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: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2361.799333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.799333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.118523 (E_RNA)
where:
Base-Base interactions energy: -1659.841
where: short stacking energy: -676.719
Base-Backbone interact. energy: -2.244
local terms energy: -710.033948
where:
bonds (distance) C4'-P energy: -105.292
bonds (distance) P-C4' energy: -132.876
flat angles C4'-P-C4' energy: -149.969
flat angles P-C4'-P energy: -111.555
tors. eta vs tors. theta energy: -210.343
Dist. restrs. and SS energy: 10.319 (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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2303.015019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.015019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.514604 (E_RNA)
where:
Base-Base interactions energy: -1614.199
where: short stacking energy: -679.766
Base-Backbone interact. energy: -1.521
local terms energy: -695.794454
where:
bonds (distance) C4'-P energy: -131.435
bonds (distance) P-C4' energy: -110.043
flat angles C4'-P-C4' energy: -141.173
flat angles P-C4'-P energy: -96.733
tors. eta vs tors. theta energy: -216.410
Dist. restrs. and SS energy: 8.500 (S_DIST_RNA)
chem. 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: -2173.056458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.056458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.170054 (E_RNA)
where:
Base-Base interactions energy: -1491.155
where: short stacking energy: -613.264
Base-Backbone interact. energy: 0.912
local terms energy: -689.926780
where:
bonds (distance) C4'-P energy: -128.725
bonds (distance) P-C4' energy: -157.811
flat angles C4'-P-C4' energy: -144.202
flat angles P-C4'-P energy: -82.282
tors. eta vs tors. theta energy: -176.906
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: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -2157.617720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.617720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.978877 (E_RNA)
where:
Base-Base interactions energy: -1511.132
where: short stacking energy: -618.311
Base-Backbone interact. energy: 4.031
local terms energy: -660.877599
where:
bonds (distance) C4'-P energy: -110.909
bonds (distance) P-C4' energy: -110.463
flat angles C4'-P-C4' energy: -142.185
flat angles P-C4'-P energy: -97.695
tors. eta vs tors. theta energy: -199.626
Dist. restrs. and SS energy: 10.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1938.149140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.149140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.213093 (E_RNA)
where:
Base-Base interactions energy: -1392.003
where: short stacking energy: -555.244
Base-Backbone interact. energy: -3.543
local terms energy: -558.666622
where:
bonds (distance) C4'-P energy: -87.174
bonds (distance) P-C4' energy: -120.915
flat angles C4'-P-C4' energy: -121.694
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -139.469
Dist. restrs. and SS energy: 16.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2781.821378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.821378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.134357 (E_RNA)
where:
Base-Base interactions energy: -1931.990
where: short stacking energy: -814.678
Base-Backbone interact. energy: -2.302
local terms energy: -850.842700
where:
bonds (distance) C4'-P energy: -141.799
bonds (distance) P-C4' energy: -153.370
flat angles C4'-P-C4' energy: -183.700
flat angles P-C4'-P energy: -117.671
tors. eta vs tors. theta energy: -254.303
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: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2676.665235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.665235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.357242 (E_RNA)
where:
Base-Base interactions energy: -1832.611
where: short stacking energy: -795.405
Base-Backbone interact. energy: -2.659
local terms energy: -845.087136
where:
bonds (distance) C4'-P energy: -148.945
bonds (distance) P-C4' energy: -155.041
flat angles C4'-P-C4' energy: -174.482
flat angles P-C4'-P energy: -124.529
tors. eta vs tors. theta energy: -242.089
Dist. restrs. and SS energy: 3.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2640.242777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.242777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.462105 (E_RNA)
where:
Base-Base interactions energy: -1845.991
where: short stacking energy: -787.054
Base-Backbone interact. energy: -4.862
local terms energy: -794.608834
where:
bonds (distance) C4'-P energy: -138.445
bonds (distance) P-C4' energy: -130.231
flat angles C4'-P-C4' energy: -166.865
flat angles P-C4'-P energy: -120.596
tors. eta vs tors. theta energy: -238.471
Dist. restrs. and SS energy: 5.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2541.665167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.665167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.691203 (E_RNA)
where:
Base-Base interactions energy: -1797.840
where: short stacking energy: -750.052
Base-Backbone interact. energy: -3.053
local terms energy: -748.797977
where:
bonds (distance) C4'-P energy: -126.690
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -157.702
flat angles P-C4'-P energy: -98.507
tors. eta vs tors. theta energy: -221.961
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: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2431.188044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.188044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.790836 (E_RNA)
where:
Base-Base interactions energy: -1708.935
where: short stacking energy: -723.340
Base-Backbone interact. energy: -3.218
local terms energy: -721.638057
where:
bonds (distance) C4'-P energy: -128.035
bonds (distance) P-C4' energy: -130.931
flat angles C4'-P-C4' energy: -158.084
flat angles P-C4'-P energy: -86.609
tors. eta vs tors. theta energy: -217.979
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. 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: -2383.027757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.027757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.694090 (E_RNA)
where:
Base-Base interactions energy: -1682.766
where: short stacking energy: -699.166
Base-Backbone interact. energy: -2.466
local terms energy: -704.461840
where:
bonds (distance) C4'-P energy: -122.012
bonds (distance) P-C4' energy: -122.662
flat angles C4'-P-C4' energy: -157.120
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -212.515
Dist. restrs. and SS energy: 6.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2329.487131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.487131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.627156 (E_RNA)
where:
Base-Base interactions energy: -1645.409
where: short stacking energy: -689.188
Base-Backbone interact. energy: -3.674
local terms energy: -684.543914
where:
bonds (distance) C4'-P energy: -115.796
bonds (distance) P-C4' energy: -111.837
flat angles C4'-P-C4' energy: -154.471
flat angles P-C4'-P energy: -104.318
tors. eta vs tors. theta energy: -198.121
Dist. restrs. and SS energy: 4.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2171.672257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.672257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.807796 (E_RNA)
where:
Base-Base interactions energy: -1550.594
where: short stacking energy: -651.282
Base-Backbone interact. energy: 0.774
local terms energy: -630.987447
where:
bonds (distance) C4'-P energy: -122.580
bonds (distance) P-C4' energy: -127.656
flat angles C4'-P-C4' energy: -120.549
flat angles P-C4'-P energy: -81.099
tors. eta vs tors. theta energy: -179.103
Dist. restrs. and SS energy: 9.136 (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: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -2111.509788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.291827 (E_RNA)
where:
Base-Base interactions energy: -1510.445
where: short stacking energy: -642.477
Base-Backbone interact. energy: -2.313
local terms energy: -612.533836
where:
bonds (distance) C4'-P energy: -108.226
bonds (distance) P-C4' energy: -135.369
flat angles C4'-P-C4' energy: -117.785
flat angles P-C4'-P energy: -68.812
tors. eta vs tors. theta energy: -182.342
Dist. restrs. and SS energy: 13.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1906.367351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.367351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.051982 (E_RNA)
where:
Base-Base interactions energy: -1326.032
where: short stacking energy: -542.796
Base-Backbone interact. energy: 0.039
local terms energy: -604.058859
where:
bonds (distance) C4'-P energy: -126.698
bonds (distance) P-C4' energy: -132.313
flat angles C4'-P-C4' energy: -128.955
flat angles P-C4'-P energy: -71.962
tors. eta vs tors. theta energy: -144.131
Dist. restrs. and SS energy: 23.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2813.045212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.045212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.815103 (E_RNA)
where:
Base-Base interactions energy: -1958.323
where: short stacking energy: -829.672
Base-Backbone interact. energy: -6.532
local terms energy: -851.959878
where:
bonds (distance) C4'-P energy: -143.104
bonds (distance) P-C4' energy: -155.917
flat angles C4'-P-C4' energy: -181.028
flat angles P-C4'-P energy: -119.254
tors. eta vs tors. theta energy: -252.657
Dist. restrs. and SS energy: 3.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2665.886811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.886811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.415246 (E_RNA)
where:
Base-Base interactions energy: -1859.858
where: short stacking energy: -802.526
Base-Backbone interact. energy: -0.115
local terms energy: -809.442034
where:
bonds (distance) C4'-P energy: -147.416
bonds (distance) P-C4' energy: -139.861
flat angles C4'-P-C4' energy: -162.878
flat angles P-C4'-P energy: -118.800
tors. eta vs tors. theta energy: -240.487
Dist. restrs. and SS energy: 3.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2626.969547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.969547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.554509 (E_RNA)
where:
Base-Base interactions energy: -1841.341
where: short stacking energy: -794.625
Base-Backbone interact. energy: -1.948
local terms energy: -786.264960
where:
bonds (distance) C4'-P energy: -132.805
bonds (distance) P-C4' energy: -149.600
flat angles C4'-P-C4' energy: -155.135
flat angles P-C4'-P energy: -105.418
tors. eta vs tors. theta energy: -243.307
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: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2535.546814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.546814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.539881 (E_RNA)
where:
Base-Base interactions energy: -1797.863
where: short stacking energy: -774.561
Base-Backbone interact. energy: -0.981
local terms energy: -741.695583
where:
bonds (distance) C4'-P energy: -128.741
bonds (distance) P-C4' energy: -137.692
flat angles C4'-P-C4' energy: -153.520
flat angles P-C4'-P energy: -105.449
tors. eta vs tors. theta energy: -216.292
Dist. restrs. and SS energy: 4.993 (S_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: 289
Temperature: 1.100000
Total energy: -2481.226800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.226800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.853423 (E_RNA)
where:
Base-Base interactions energy: -1709.088
where: short stacking energy: -701.033
Base-Backbone interact. energy: -3.750
local terms energy: -774.014906
where:
bonds (distance) C4'-P energy: -130.511
bonds (distance) P-C4' energy: -137.236
flat angles C4'-P-C4' energy: -161.603
flat angles P-C4'-P energy: -125.628
tors. eta vs tors. theta energy: -219.037
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: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2400.286359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.286359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.757937 (E_RNA)
where:
Base-Base interactions energy: -1676.730
where: short stacking energy: -704.890
Base-Backbone interact. energy: -1.848
local terms energy: -731.179396
where:
bonds (distance) C4'-P energy: -127.741
bonds (distance) P-C4' energy: -133.319
flat angles C4'-P-C4' energy: -160.707
flat angles P-C4'-P energy: -103.707
tors. eta vs tors. theta energy: -205.706
Dist. restrs. and SS energy: 9.472 (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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2291.799229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.799229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.810156 (E_RNA)
where:
Base-Base interactions energy: -1607.723
where: short stacking energy: -654.914
Base-Backbone interact. energy: -1.735
local terms energy: -687.352251
where:
bonds (distance) C4'-P energy: -101.273
bonds (distance) P-C4' energy: -135.375
flat angles C4'-P-C4' energy: -159.079
flat angles P-C4'-P energy: -100.640
tors. eta vs tors. theta energy: -190.985
Dist. restrs. and SS energy: 5.011 (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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2200.265631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.265631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.418491 (E_RNA)
where:
Base-Base interactions energy: -1552.659
where: short stacking energy: -633.686
Base-Backbone interact. energy: 0.592
local terms energy: -660.351537
where:
bonds (distance) C4'-P energy: -103.671
bonds (distance) P-C4' energy: -117.516
flat angles C4'-P-C4' energy: -166.330
flat angles P-C4'-P energy: -79.095
tors. eta vs tors. theta energy: -193.740
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: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -2139.013745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.013745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.784027 (E_RNA)
where:
Base-Base interactions energy: -1523.094
where: short stacking energy: -631.661
Base-Backbone interact. energy: -1.930
local terms energy: -623.759774
where:
bonds (distance) C4'-P energy: -99.772
bonds (distance) P-C4' energy: -113.404
flat angles C4'-P-C4' energy: -146.124
flat angles P-C4'-P energy: -88.866
tors. eta vs tors. theta energy: -175.595
Dist. restrs. and SS energy: 9.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1894.297764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.297764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.149668 (E_RNA)
where:
Base-Base interactions energy: -1313.648
where: short stacking energy: -561.293
Base-Backbone interact. energy: 3.432
local terms energy: -602.934185
where:
bonds (distance) C4'-P energy: -115.695
bonds (distance) P-C4' energy: -115.636
flat angles C4'-P-C4' energy: -126.340
flat angles P-C4'-P energy: -82.070
tors. eta vs tors. theta energy: -163.194
Dist. restrs. and SS energy: 18.852 (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: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2805.091684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.091684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.875539 (E_RNA)
where:
Base-Base interactions energy: -1948.656
where: short stacking energy: -831.980
Base-Backbone interact. energy: -2.733
local terms energy: -856.486365
where:
bonds (distance) C4'-P energy: -142.054
bonds (distance) P-C4' energy: -146.557
flat angles C4'-P-C4' energy: -180.976
flat angles P-C4'-P energy: -120.931
tors. eta vs tors. theta energy: -265.968
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2675.394885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.394885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.210391 (E_RNA)
where:
Base-Base interactions energy: -1873.891
where: short stacking energy: -801.035
Base-Backbone interact. energy: -3.447
local terms energy: -801.871512
where:
bonds (distance) C4'-P energy: -136.994
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -164.130
flat angles P-C4'-P energy: -118.996
tors. eta vs tors. theta energy: -246.526
Dist. restrs. and SS energy: 3.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2607.975877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.975877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.951945 (E_RNA)
where:
Base-Base interactions energy: -1816.061
where: short stacking energy: -774.665
Base-Backbone interact. energy: 0.631
local terms energy: -796.522261
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -141.767
flat angles C4'-P-C4' energy: -173.592
flat angles P-C4'-P energy: -113.392
tors. eta vs tors. theta energy: -233.047
Dist. restrs. and SS energy: 3.976 (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: 290
Temperature: 1.050000
Total energy: -2523.447062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.447062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.019329 (E_RNA)
where:
Base-Base interactions energy: -1771.168
where: short stacking energy: -720.810
Base-Backbone interact. energy: -2.411
local terms energy: -755.439860
where:
bonds (distance) C4'-P energy: -124.511
bonds (distance) P-C4' energy: -153.759
flat angles C4'-P-C4' energy: -156.358
flat angles P-C4'-P energy: -110.617
tors. eta vs tors. theta energy: -210.195
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2442.911825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.911825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.698712 (E_RNA)
where:
Base-Base interactions energy: -1702.078
where: short stacking energy: -728.571
Base-Backbone interact. energy: -1.505
local terms energy: -745.115826
where:
bonds (distance) C4'-P energy: -113.913
bonds (distance) P-C4' energy: -134.137
flat angles C4'-P-C4' energy: -174.457
flat angles P-C4'-P energy: -105.096
tors. eta vs tors. theta energy: -217.513
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: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2402.321975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.740418 (E_RNA)
where:
Base-Base interactions energy: -1683.458
where: short stacking energy: -718.776
Base-Backbone interact. energy: -1.985
local terms energy: -725.297590
where:
bonds (distance) C4'-P energy: -118.291
bonds (distance) P-C4' energy: -130.130
flat angles C4'-P-C4' energy: -149.669
flat angles P-C4'-P energy: -106.419
tors. eta vs tors. theta energy: -220.788
Dist. restrs. and SS energy: 8.418 (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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2247.656432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.656432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.648512 (E_RNA)
where:
Base-Base interactions energy: -1557.728
where: short stacking energy: -640.522
Base-Backbone interact. energy: -1.372
local terms energy: -695.547682
where:
bonds (distance) C4'-P energy: -114.984
bonds (distance) P-C4' energy: -124.935
flat angles C4'-P-C4' energy: -149.059
flat angles P-C4'-P energy: -110.385
tors. eta vs tors. theta energy: -196.184
Dist. restrs. and SS energy: 6.992 (S_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: 290
Temperature: 1.250000
Total energy: -2206.577506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.577506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.456600 (E_RNA)
where:
Base-Base interactions energy: -1567.745
where: short stacking energy: -673.271
Base-Backbone interact. energy: -1.727
local terms energy: -652.984965
where:
bonds (distance) C4'-P energy: -117.391
bonds (distance) P-C4' energy: -112.179
flat angles C4'-P-C4' energy: -140.041
flat angles P-C4'-P energy: -86.847
tors. eta vs tors. theta energy: -196.527
Dist. restrs. and SS energy: 15.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -2151.689708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.689708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.619009 (E_RNA)
where:
Base-Base interactions energy: -1504.285
where: short stacking energy: -620.141
Base-Backbone interact. energy: -4.555
local terms energy: -651.779705
where:
bonds (distance) C4'-P energy: -114.292
bonds (distance) P-C4' energy: -117.959
flat angles C4'-P-C4' energy: -131.512
flat angles P-C4'-P energy: -102.371
tors. eta vs tors. theta energy: -185.645
Dist. restrs. and SS energy: 8.929 (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: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1890.854483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.854483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.904132 (E_RNA)
where:
Base-Base interactions energy: -1318.789
where: short stacking energy: -525.541
Base-Backbone interact. energy: -2.074
local terms energy: -597.040847
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -124.650
flat angles C4'-P-C4' energy: -150.181
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -139.899
Dist. restrs. and SS energy: 27.050 (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: 291
Temperature: 0.900000
Total energy: -2811.354220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.354220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.239508 (E_RNA)
where:
Base-Base interactions energy: -1959.461
where: short stacking energy: -821.581
Base-Backbone interact. energy: -2.279
local terms energy: -852.499193
where:
bonds (distance) C4'-P energy: -144.686
bonds (distance) P-C4' energy: -152.536
flat angles C4'-P-C4' energy: -165.162
flat angles P-C4'-P energy: -132.819
tors. eta vs tors. theta energy: -257.297
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2702.168874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.168874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.511034 (E_RNA)
where:
Base-Base interactions energy: -1898.123
where: short stacking energy: -826.200
Base-Backbone interact. energy: -3.624
local terms energy: -803.763748
where:
bonds (distance) C4'-P energy: -134.781
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -171.726
flat angles P-C4'-P energy: -124.921
tors. eta vs tors. theta energy: -236.664
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2632.880255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.880255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.900487 (E_RNA)
where:
Base-Base interactions energy: -1855.839
where: short stacking energy: -792.007
Base-Backbone interact. energy: 0.024
local terms energy: -782.085402
where:
bonds (distance) C4'-P energy: -139.052
bonds (distance) P-C4' energy: -132.410
flat angles C4'-P-C4' energy: -156.984
flat angles P-C4'-P energy: -115.694
tors. eta vs tors. theta energy: -237.946
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2505.777276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.777276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.367233 (E_RNA)
where:
Base-Base interactions energy: -1761.131
where: short stacking energy: -725.783
Base-Backbone interact. energy: -2.684
local terms energy: -749.552005
where:
bonds (distance) C4'-P energy: -144.218
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -151.651
flat angles P-C4'-P energy: -102.848
tors. eta vs tors. theta energy: -209.462
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2418.620013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.620013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.246746 (E_RNA)
where:
Base-Base interactions energy: -1703.955
where: short stacking energy: -733.008
Base-Backbone interact. energy: 1.803
local terms energy: -721.094723
where:
bonds (distance) C4'-P energy: -118.274
bonds (distance) P-C4' energy: -116.857
flat angles C4'-P-C4' energy: -159.287
flat angles P-C4'-P energy: -109.727
tors. eta vs tors. theta energy: -216.949
Dist. restrs. and SS energy: 4.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2350.112331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.112331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.166573 (E_RNA)
where:
Base-Base interactions energy: -1642.340
where: short stacking energy: -704.611
Base-Backbone interact. energy: -0.575
local terms energy: -713.251338
where:
bonds (distance) C4'-P energy: -142.508
bonds (distance) P-C4' energy: -134.082
flat angles C4'-P-C4' energy: -148.964
flat angles P-C4'-P energy: -93.372
tors. eta vs tors. theta energy: -194.326
Dist. restrs. and SS energy: 6.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2256.794397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.794397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.299153 (E_RNA)
where:
Base-Base interactions energy: -1590.964
where: short stacking energy: -667.046
Base-Backbone interact. energy: -1.995
local terms energy: -669.340223
where:
bonds (distance) C4'-P energy: -119.804
bonds (distance) P-C4' energy: -116.857
flat angles C4'-P-C4' energy: -144.878
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -204.576
Dist. restrs. and SS energy: 5.505 (S_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: 291
Temperature: 1.250000
Total energy: -2161.319345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.319345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.507051 (E_RNA)
where:
Base-Base interactions energy: -1504.261
where: short stacking energy: -630.627
Base-Backbone interact. energy: -0.473
local terms energy: -667.772836
where:
bonds (distance) C4'-P energy: -123.052
bonds (distance) P-C4' energy: -121.516
flat angles C4'-P-C4' energy: -142.694
flat angles P-C4'-P energy: -91.714
tors. eta vs tors. theta energy: -188.796
Dist. restrs. and SS energy: 11.188 (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: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -2133.422162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.422162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.729888 (E_RNA)
where:
Base-Base interactions energy: -1484.494
where: short stacking energy: -612.020
Base-Backbone interact. energy: 0.255
local terms energy: -659.490618
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -130.197
flat angles C4'-P-C4' energy: -131.899
flat angles P-C4'-P energy: -79.911
tors. eta vs tors. theta energy: -189.328
Dist. restrs. and SS energy: 10.308 (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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1902.842212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.842212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.820928 (E_RNA)
where:
Base-Base interactions energy: -1331.802
where: short stacking energy: -557.656
Base-Backbone interact. energy: 5.002
local terms energy: -592.020516
where:
bonds (distance) C4'-P energy: -100.773
bonds (distance) P-C4' energy: -116.549
flat angles C4'-P-C4' energy: -150.352
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -147.348
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: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2782.229235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.229235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.233518 (E_RNA)
where:
Base-Base interactions energy: -1943.404
where: short stacking energy: -814.128
Base-Backbone interact. energy: -1.705
local terms energy: -840.124309
where:
bonds (distance) C4'-P energy: -149.092
bonds (distance) P-C4' energy: -151.951
flat angles C4'-P-C4' energy: -170.848
flat angles P-C4'-P energy: -117.705
tors. eta vs tors. theta energy: -250.530
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2653.948749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.948749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.649207 (E_RNA)
where:
Base-Base interactions energy: -1853.453
where: short stacking energy: -806.287
Base-Backbone interact. energy: 0.549
local terms energy: -806.745389
where:
bonds (distance) C4'-P energy: -141.235
bonds (distance) P-C4' energy: -146.953
flat angles C4'-P-C4' energy: -164.601
flat angles P-C4'-P energy: -107.789
tors. eta vs tors. theta energy: -246.167
Dist. restrs. and SS energy: 5.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2577.320819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.635778 (E_RNA)
where:
Base-Base interactions energy: -1820.507
where: short stacking energy: -761.525
Base-Backbone interact. energy: 3.138
local terms energy: -766.266593
where:
bonds (distance) C4'-P energy: -120.048
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -161.090
flat angles P-C4'-P energy: -116.424
tors. eta vs tors. theta energy: -227.146
Dist. restrs. and SS energy: 6.315 (S_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: -2469.824451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.824451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.894095 (E_RNA)
where:
Base-Base interactions energy: -1731.494
where: short stacking energy: -716.840
Base-Backbone interact. energy: -3.309
local terms energy: -743.091442
where:
bonds (distance) C4'-P energy: -142.668
bonds (distance) P-C4' energy: -122.704
flat angles C4'-P-C4' energy: -158.108
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -213.356
Dist. restrs. and SS energy: 8.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2489.059633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.059633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.637765 (E_RNA)
where:
Base-Base interactions energy: -1732.441
where: short stacking energy: -745.632
Base-Backbone interact. energy: -5.096
local terms energy: -757.100530
where:
bonds (distance) C4'-P energy: -131.038
bonds (distance) P-C4' energy: -135.722
flat angles C4'-P-C4' energy: -165.505
flat angles P-C4'-P energy: -104.536
tors. eta vs tors. theta energy: -220.299
Dist. restrs. and SS energy: 5.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2325.625871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.625871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.170684 (E_RNA)
where:
Base-Base interactions energy: -1665.204
where: short stacking energy: -694.757
Base-Backbone interact. energy: -1.516
local terms energy: -664.450409
where:
bonds (distance) C4'-P energy: -114.519
bonds (distance) P-C4' energy: -129.353
flat angles C4'-P-C4' energy: -133.594
flat angles P-C4'-P energy: -83.410
tors. eta vs tors. theta energy: -203.575
Dist. restrs. and SS energy: 5.545 (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: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2251.075672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.075672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.941963 (E_RNA)
where:
Base-Base interactions energy: -1600.254
where: short stacking energy: -660.789
Base-Backbone interact. energy: -1.690
local terms energy: -658.997453
where:
bonds (distance) C4'-P energy: -133.251
bonds (distance) P-C4' energy: -111.694
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -87.991
tors. eta vs tors. theta energy: -193.227
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: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2179.048406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.048406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.745649 (E_RNA)
where:
Base-Base interactions energy: -1544.652
where: short stacking energy: -666.024
Base-Backbone interact. energy: 0.213
local terms energy: -645.307085
where:
bonds (distance) C4'-P energy: -118.651
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -149.481
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -178.173
Dist. restrs. and SS energy: 10.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -2123.584421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.584421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.528346 (E_RNA)
where:
Base-Base interactions energy: -1493.354
where: short stacking energy: -637.336
Base-Backbone interact. energy: 0.032
local terms energy: -642.205996
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -127.171
flat angles P-C4'-P energy: -94.920
tors. eta vs tors. theta energy: -187.468
Dist. restrs. and SS energy: 11.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1899.258309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.258309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.854083 (E_RNA)
where:
Base-Base interactions energy: -1363.080
where: short stacking energy: -561.102
Base-Backbone interact. energy: 2.941
local terms energy: -564.715052
where:
bonds (distance) C4'-P energy: -102.215
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -130.546
flat angles P-C4'-P energy: -88.656
tors. eta vs tors. theta energy: -134.951
Dist. restrs. and SS energy: 25.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2817.777967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.777967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.278057 (E_RNA)
where:
Base-Base interactions energy: -1948.453
where: short stacking energy: -815.940
Base-Backbone interact. energy: -1.838
local terms energy: -870.986264
where:
bonds (distance) C4'-P energy: -157.219
bonds (distance) P-C4' energy: -158.797
flat angles C4'-P-C4' energy: -172.967
flat angles P-C4'-P energy: -122.751
tors. eta vs tors. theta energy: -259.253
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2662.956034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.956034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.683449 (E_RNA)
where:
Base-Base interactions energy: -1860.366
where: short stacking energy: -802.271
Base-Backbone interact. energy: -4.487
local terms energy: -801.830805
where:
bonds (distance) C4'-P energy: -133.921
bonds (distance) P-C4' energy: -140.831
flat angles C4'-P-C4' energy: -177.076
flat angles P-C4'-P energy: -108.298
tors. eta vs tors. theta energy: -241.705
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: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2600.315713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.315713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.644726 (E_RNA)
where:
Base-Base interactions energy: -1817.907
where: short stacking energy: -762.202
Base-Backbone interact. energy: -3.602
local terms energy: -783.135709
where:
bonds (distance) C4'-P energy: -128.858
bonds (distance) P-C4' energy: -146.636
flat angles C4'-P-C4' energy: -168.050
flat angles P-C4'-P energy: -108.554
tors. eta vs tors. theta energy: -231.039
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: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2495.859996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.859996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.311342 (E_RNA)
where:
Base-Base interactions energy: -1776.626
where: short stacking energy: -747.375
Base-Backbone interact. energy: -2.439
local terms energy: -722.246142
where:
bonds (distance) C4'-P energy: -121.793
bonds (distance) P-C4' energy: -141.155
flat angles C4'-P-C4' energy: -145.216
flat angles P-C4'-P energy: -99.903
tors. eta vs tors. theta energy: -214.178
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: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2439.699317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.699317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.795708 (E_RNA)
where:
Base-Base interactions energy: -1723.265
where: short stacking energy: -730.264
Base-Backbone interact. energy: -3.491
local terms energy: -718.039498
where:
bonds (distance) C4'-P energy: -123.102
bonds (distance) P-C4' energy: -132.989
flat angles C4'-P-C4' energy: -151.458
flat angles P-C4'-P energy: -97.246
tors. eta vs tors. theta energy: -213.245
Dist. restrs. and SS energy: 5.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2388.741768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.741768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.962734 (E_RNA)
where:
Base-Base interactions energy: -1694.350
where: short stacking energy: -701.866
Base-Backbone interact. energy: -2.457
local terms energy: -699.155857
where:
bonds (distance) C4'-P energy: -125.892
bonds (distance) P-C4' energy: -123.648
flat angles C4'-P-C4' energy: -149.705
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -211.272
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: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2249.275325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.275325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.703214 (E_RNA)
where:
Base-Base interactions energy: -1605.238
where: short stacking energy: -661.807
Base-Backbone interact. energy: -2.567
local terms energy: -651.897968
where:
bonds (distance) C4'-P energy: -115.349
bonds (distance) P-C4' energy: -122.010
flat angles C4'-P-C4' energy: -145.240
flat angles P-C4'-P energy: -81.991
tors. eta vs tors. theta energy: -187.308
Dist. restrs. and SS energy: 10.428 (S_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: 293
Temperature: 1.250000
Total energy: -2172.936875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.936875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.553738 (E_RNA)
where:
Base-Base interactions energy: -1516.012
where: short stacking energy: -610.826
Base-Backbone interact. energy: -1.507
local terms energy: -663.034600
where:
bonds (distance) C4'-P energy: -120.663
bonds (distance) P-C4' energy: -126.712
flat angles C4'-P-C4' energy: -139.024
flat angles P-C4'-P energy: -89.918
tors. eta vs tors. theta energy: -186.717
Dist. restrs. and SS energy: 7.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -2099.753231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.753231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.286477 (E_RNA)
where:
Base-Base interactions energy: -1464.361
where: short stacking energy: -611.352
Base-Backbone interact. energy: 3.026
local terms energy: -650.951365
where:
bonds (distance) C4'-P energy: -93.681
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -156.049
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -196.626
Dist. restrs. and SS energy: 12.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1876.000447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.000447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.835711 (E_RNA)
where:
Base-Base interactions energy: -1335.562
where: short stacking energy: -525.663
Base-Backbone interact. energy: 0.801
local terms energy: -571.074054
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -109.498
flat angles C4'-P-C4' energy: -135.448
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -155.498
Dist. restrs. and SS energy: 29.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2795.460542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.460542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.043818 (E_RNA)
where:
Base-Base interactions energy: -1949.140
where: short stacking energy: -841.630
Base-Backbone interact. energy: -1.908
local terms energy: -847.995433
where:
bonds (distance) C4'-P energy: -150.184
bonds (distance) P-C4' energy: -143.816
flat angles C4'-P-C4' energy: -160.475
flat angles P-C4'-P energy: -130.749
tors. eta vs tors. theta energy: -262.771
Dist. restrs. and SS energy: 3.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2691.441861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.441861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.809752 (E_RNA)
where:
Base-Base interactions energy: -1897.348
where: short stacking energy: -812.572
Base-Backbone interact. energy: -3.471
local terms energy: -792.990070
where:
bonds (distance) C4'-P energy: -140.899
bonds (distance) P-C4' energy: -131.062
flat angles C4'-P-C4' energy: -167.695
flat angles P-C4'-P energy: -118.383
tors. eta vs tors. theta energy: -234.951
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2586.095577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.095577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.711846 (E_RNA)
where:
Base-Base interactions energy: -1801.461
where: short stacking energy: -773.856
Base-Backbone interact. energy: 0.489
local terms energy: -789.739927
where:
bonds (distance) C4'-P energy: -131.308
bonds (distance) P-C4' energy: -142.151
flat angles C4'-P-C4' energy: -167.686
flat angles P-C4'-P energy: -115.564
tors. eta vs tors. theta energy: -233.030
Dist. restrs. and SS energy: 4.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2511.171779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.171779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.426530 (E_RNA)
where:
Base-Base interactions energy: -1771.471
where: short stacking energy: -735.711
Base-Backbone interact. energy: -0.845
local terms energy: -744.110663
where:
bonds (distance) C4'-P energy: -123.084
bonds (distance) P-C4' energy: -129.362
flat angles C4'-P-C4' energy: -163.990
flat angles P-C4'-P energy: -106.554
tors. eta vs tors. theta energy: -221.120
Dist. restrs. and SS energy: 5.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2460.805611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.805611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.698645 (E_RNA)
where:
Base-Base interactions energy: -1765.869
where: short stacking energy: -743.136
Base-Backbone interact. energy: -0.410
local terms energy: -703.420048
where:
bonds (distance) C4'-P energy: -111.290
bonds (distance) P-C4' energy: -135.839
flat angles C4'-P-C4' energy: -138.183
flat angles P-C4'-P energy: -99.827
tors. eta vs tors. theta energy: -218.281
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: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2352.888459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.888459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.757438 (E_RNA)
where:
Base-Base interactions energy: -1666.041
where: short stacking energy: -700.870
Base-Backbone interact. energy: -0.517
local terms energy: -696.198919
where:
bonds (distance) C4'-P energy: -117.058
bonds (distance) P-C4' energy: -132.129
flat angles C4'-P-C4' energy: -138.905
flat angles P-C4'-P energy: -103.797
tors. eta vs tors. theta energy: -204.310
Dist. restrs. and SS energy: 9.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2245.008036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.008036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.099325 (E_RNA)
where:
Base-Base interactions energy: -1570.188
where: short stacking energy: -641.974
Base-Backbone interact. energy: -2.913
local terms energy: -679.998160
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -113.303
flat angles C4'-P-C4' energy: -157.198
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -198.118
Dist. restrs. and SS energy: 8.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2153.898097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.898097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.980615 (E_RNA)
where:
Base-Base interactions energy: -1566.778
where: short stacking energy: -648.608
Base-Backbone interact. energy: -0.381
local terms energy: -596.822115
where:
bonds (distance) C4'-P energy: -102.742
bonds (distance) P-C4' energy: -92.062
flat angles C4'-P-C4' energy: -145.677
flat angles P-C4'-P energy: -81.804
tors. eta vs tors. theta energy: -174.537
Dist. restrs. and SS energy: 10.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -2071.264295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.264295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.525010 (E_RNA)
where:
Base-Base interactions energy: -1450.718
where: short stacking energy: -605.486
Base-Backbone interact. energy: -4.071
local terms energy: -631.735993
where:
bonds (distance) C4'-P energy: -123.545
bonds (distance) P-C4' energy: -119.034
flat angles C4'-P-C4' energy: -124.593
flat angles P-C4'-P energy: -85.125
tors. eta vs tors. theta energy: -179.438
Dist. restrs. and SS energy: 15.261 (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: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1869.432997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.432997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.602647 (E_RNA)
where:
Base-Base interactions energy: -1306.614
where: short stacking energy: -541.284
Base-Backbone interact. energy: -1.330
local terms energy: -580.657985
where:
bonds (distance) C4'-P energy: -112.930
bonds (distance) P-C4' energy: -109.076
flat angles C4'-P-C4' energy: -132.614
flat angles P-C4'-P energy: -74.975
tors. eta vs tors. theta energy: -151.063
Dist. restrs. and SS energy: 19.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2803.869216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.045089 (E_RNA)
where:
Base-Base interactions energy: -1960.444
where: short stacking energy: -848.928
Base-Backbone interact. energy: -4.459
local terms energy: -843.141162
where:
bonds (distance) C4'-P energy: -155.425
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -164.479
flat angles P-C4'-P energy: -119.930
tors. eta vs tors. theta energy: -262.753
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: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2664.114648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.114648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.344479 (E_RNA)
where:
Base-Base interactions energy: -1846.305
where: short stacking energy: -782.297
Base-Backbone interact. energy: -2.013
local terms energy: -820.025821
where:
bonds (distance) C4'-P energy: -147.398
bonds (distance) P-C4' energy: -154.374
flat angles C4'-P-C4' energy: -167.661
flat angles P-C4'-P energy: -116.025
tors. eta vs tors. theta energy: -234.567
Dist. restrs. and SS energy: 4.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2580.762205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.762205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.746850 (E_RNA)
where:
Base-Base interactions energy: -1822.887
where: short stacking energy: -742.294
Base-Backbone interact. energy: -2.844
local terms energy: -758.014906
where:
bonds (distance) C4'-P energy: -132.520
bonds (distance) P-C4' energy: -137.982
flat angles C4'-P-C4' energy: -154.770
flat angles P-C4'-P energy: -112.242
tors. eta vs tors. theta energy: -220.501
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2501.828557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.828557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.030966 (E_RNA)
where:
Base-Base interactions energy: -1769.775
where: short stacking energy: -730.334
Base-Backbone interact. energy: -2.956
local terms energy: -734.300110
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -137.081
flat angles C4'-P-C4' energy: -152.825
flat angles P-C4'-P energy: -105.376
tors. eta vs tors. theta energy: -218.420
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2437.456438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.456438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.729780 (E_RNA)
where:
Base-Base interactions energy: -1733.136
where: short stacking energy: -744.234
Base-Backbone interact. energy: -3.323
local terms energy: -710.271145
where:
bonds (distance) C4'-P energy: -126.899
bonds (distance) P-C4' energy: -114.727
flat angles C4'-P-C4' energy: -161.291
flat angles P-C4'-P energy: -80.098
tors. eta vs tors. theta energy: -227.256
Dist. restrs. and SS energy: 9.273 (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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2360.973791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.973791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.429361 (E_RNA)
where:
Base-Base interactions energy: -1658.166
where: short stacking energy: -696.878
Base-Backbone interact. energy: -1.052
local terms energy: -708.210432
where:
bonds (distance) C4'-P energy: -127.245
bonds (distance) P-C4' energy: -121.149
flat angles C4'-P-C4' energy: -164.918
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -198.920
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: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2254.219157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.219157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.260204 (E_RNA)
where:
Base-Base interactions energy: -1605.320
where: short stacking energy: -681.555
Base-Backbone interact. energy: 2.839
local terms energy: -668.779749
where:
bonds (distance) C4'-P energy: -119.045
bonds (distance) P-C4' energy: -124.705
flat angles C4'-P-C4' energy: -142.455
flat angles P-C4'-P energy: -77.197
tors. eta vs tors. theta energy: -205.379
Dist. restrs. and SS energy: 17.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2178.999907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.999907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.878162 (E_RNA)
where:
Base-Base interactions energy: -1548.360
where: short stacking energy: -647.408
Base-Backbone interact. energy: 1.766
local terms energy: -640.284247
where:
bonds (distance) C4'-P energy: -123.757
bonds (distance) P-C4' energy: -111.715
flat angles C4'-P-C4' energy: -141.219
flat angles P-C4'-P energy: -79.620
tors. eta vs tors. theta energy: -183.973
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: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -2049.747447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.747447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.981810 (E_RNA)
where:
Base-Base interactions energy: -1458.932
where: short stacking energy: -602.840
Base-Backbone interact. energy: -1.662
local terms energy: -601.387578
where:
bonds (distance) C4'-P energy: -114.023
bonds (distance) P-C4' energy: -119.010
flat angles C4'-P-C4' energy: -117.876
flat angles P-C4'-P energy: -86.409
tors. eta vs tors. theta energy: -164.070
Dist. restrs. and SS energy: 12.234 (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: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1888.681949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.681949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.361530 (E_RNA)
where:
Base-Base interactions energy: -1357.410
where: short stacking energy: -568.796
Base-Backbone interact. energy: 1.016
local terms energy: -551.967464
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -119.348
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -63.886
tors. eta vs tors. theta energy: -150.304
Dist. restrs. and SS energy: 19.680 (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: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2789.681443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.681443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.008613 (E_RNA)
where:
Base-Base interactions energy: -1956.951
where: short stacking energy: -837.867
Base-Backbone interact. energy: -1.315
local terms energy: -834.742952
where:
bonds (distance) C4'-P energy: -138.663
bonds (distance) P-C4' energy: -149.556
flat angles C4'-P-C4' energy: -167.345
flat angles P-C4'-P energy: -118.236
tors. eta vs tors. theta energy: -260.943
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2690.861034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.861034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.396336 (E_RNA)
where:
Base-Base interactions energy: -1876.615
where: short stacking energy: -803.567
Base-Backbone interact. energy: -3.652
local terms energy: -815.129936
where:
bonds (distance) C4'-P energy: -142.184
bonds (distance) P-C4' energy: -145.485
flat angles C4'-P-C4' energy: -173.158
flat angles P-C4'-P energy: -114.547
tors. eta vs tors. theta energy: -239.757
Dist. restrs. and SS energy: 4.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2595.916277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.916277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.215166 (E_RNA)
where:
Base-Base interactions energy: -1831.005
where: short stacking energy: -768.152
Base-Backbone interact. energy: -1.572
local terms energy: -765.638381
where:
bonds (distance) C4'-P energy: -123.822
bonds (distance) P-C4' energy: -138.554
flat angles C4'-P-C4' energy: -161.680
flat angles P-C4'-P energy: -117.386
tors. eta vs tors. theta energy: -224.196
Dist. restrs. and SS energy: 2.299 (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: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2483.555004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.555004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.778654 (E_RNA)
where:
Base-Base interactions energy: -1772.070
where: short stacking energy: -740.758
Base-Backbone interact. energy: -2.749
local terms energy: -717.960072
where:
bonds (distance) C4'-P energy: -113.066
bonds (distance) P-C4' energy: -110.715
flat angles C4'-P-C4' energy: -166.619
flat angles P-C4'-P energy: -117.684
tors. eta vs tors. theta energy: -209.875
Dist. restrs. and SS energy: 9.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2485.843445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.843445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.183271 (E_RNA)
where:
Base-Base interactions energy: -1742.978
where: short stacking energy: -737.059
Base-Backbone interact. energy: -3.195
local terms energy: -746.009461
where:
bonds (distance) C4'-P energy: -131.709
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -160.524
flat angles P-C4'-P energy: -113.959
tors. eta vs tors. theta energy: -218.936
Dist. restrs. and SS energy: 6.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2340.091334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.091334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.539563 (E_RNA)
where:
Base-Base interactions energy: -1661.234
where: short stacking energy: -695.063
Base-Backbone interact. energy: 1.969
local terms energy: -691.274451
where:
bonds (distance) C4'-P energy: -112.723
bonds (distance) P-C4' energy: -123.033
flat angles C4'-P-C4' energy: -142.277
flat angles P-C4'-P energy: -114.022
tors. eta vs tors. theta energy: -199.220
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: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2248.785305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.785305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.260636 (E_RNA)
where:
Base-Base interactions energy: -1585.068
where: short stacking energy: -651.761
Base-Backbone interact. energy: -3.017
local terms energy: -670.175679
where:
bonds (distance) C4'-P energy: -105.515
bonds (distance) P-C4' energy: -134.246
flat angles C4'-P-C4' energy: -139.762
flat angles P-C4'-P energy: -94.281
tors. eta vs tors. theta energy: -196.370
Dist. restrs. and SS energy: 9.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2188.676084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.676084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.746278 (E_RNA)
where:
Base-Base interactions energy: -1538.887
where: short stacking energy: -636.556
Base-Backbone interact. energy: -1.246
local terms energy: -655.612691
where:
bonds (distance) C4'-P energy: -118.064
bonds (distance) P-C4' energy: -134.844
flat angles C4'-P-C4' energy: -118.581
flat angles P-C4'-P energy: -90.863
tors. eta vs tors. theta energy: -193.260
Dist. restrs. and SS energy: 7.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -2064.911150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.911150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.642985 (E_RNA)
where:
Base-Base interactions energy: -1468.131
where: short stacking energy: -604.483
Base-Backbone interact. energy: -2.758
local terms energy: -603.753593
where:
bonds (distance) C4'-P energy: -113.068
bonds (distance) P-C4' energy: -116.179
flat angles C4'-P-C4' energy: -127.613
flat angles P-C4'-P energy: -81.043
tors. eta vs tors. theta energy: -165.851
Dist. restrs. and SS energy: 9.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1858.473957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.473957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.038758 (E_RNA)
where:
Base-Base interactions energy: -1346.615
where: short stacking energy: -555.967
Base-Backbone interact. energy: -0.566
local terms energy: -542.857026
where:
bonds (distance) C4'-P energy: -108.301
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -123.469
flat angles P-C4'-P energy: -66.425
tors. eta vs tors. theta energy: -142.449
Dist. restrs. and SS energy: 31.565 (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: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2799.867962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.867962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.306644 (E_RNA)
where:
Base-Base interactions energy: -1945.578
where: short stacking energy: -832.206
Base-Backbone interact. energy: -0.613
local terms energy: -857.116224
where:
bonds (distance) C4'-P energy: -156.314
bonds (distance) P-C4' energy: -147.384
flat angles C4'-P-C4' energy: -175.788
flat angles P-C4'-P energy: -117.952
tors. eta vs tors. theta energy: -259.678
Dist. restrs. and SS energy: 3.439 (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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2655.231287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.230420 (E_RNA)
where:
Base-Base interactions energy: -1842.538
where: short stacking energy: -802.194
Base-Backbone interact. energy: -2.688
local terms energy: -812.004468
where:
bonds (distance) C4'-P energy: -154.302
bonds (distance) P-C4' energy: -146.933
flat angles C4'-P-C4' energy: -169.499
flat angles P-C4'-P energy: -104.210
tors. eta vs tors. theta energy: -237.060
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2614.279473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.279473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.817489 (E_RNA)
where:
Base-Base interactions energy: -1838.827
where: short stacking energy: -738.859
Base-Backbone interact. energy: -3.069
local terms energy: -774.921052
where:
bonds (distance) C4'-P energy: -140.387
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -162.175
flat angles P-C4'-P energy: -112.805
tors. eta vs tors. theta energy: -220.451
Dist. restrs. and SS energy: 2.538 (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: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2529.493145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.493145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.781128 (E_RNA)
where:
Base-Base interactions energy: -1777.176
where: short stacking energy: -745.501
Base-Backbone interact. energy: -0.351
local terms energy: -759.254703
where:
bonds (distance) C4'-P energy: -130.939
bonds (distance) P-C4' energy: -140.215
flat angles C4'-P-C4' energy: -157.951
flat angles P-C4'-P energy: -113.592
tors. eta vs tors. theta energy: -216.558
Dist. restrs. and SS energy: 7.288 (S_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: -2449.825740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.825740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.263102 (E_RNA)
where:
Base-Base interactions energy: -1735.074
where: short stacking energy: -706.085
Base-Backbone interact. energy: -6.338
local terms energy: -713.850678
where:
bonds (distance) C4'-P energy: -117.305
bonds (distance) P-C4' energy: -132.895
flat angles C4'-P-C4' energy: -144.315
flat angles P-C4'-P energy: -108.383
tors. eta vs tors. theta energy: -210.952
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2389.753820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.753820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.633157 (E_RNA)
where:
Base-Base interactions energy: -1700.592
where: short stacking energy: -679.560
Base-Backbone interact. energy: -2.651
local terms energy: -695.389411
where:
bonds (distance) C4'-P energy: -133.781
bonds (distance) P-C4' energy: -115.343
flat angles C4'-P-C4' energy: -140.122
flat angles P-C4'-P energy: -107.138
tors. eta vs tors. theta energy: -199.004
Dist. restrs. and SS energy: 8.879 (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: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2250.832081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.832081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.408509 (E_RNA)
where:
Base-Base interactions energy: -1563.592
where: short stacking energy: -655.427
Base-Backbone interact. energy: -5.118
local terms energy: -691.698345
where:
bonds (distance) C4'-P energy: -124.526
bonds (distance) P-C4' energy: -141.116
flat angles C4'-P-C4' energy: -141.590
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -197.438
Dist. restrs. and SS energy: 9.576 (S_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: 297
Temperature: 1.250000
Total energy: -2157.942997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.942997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.162033 (E_RNA)
where:
Base-Base interactions energy: -1511.705
where: short stacking energy: -594.849
Base-Backbone interact. energy: 5.130
local terms energy: -657.586507
where:
bonds (distance) C4'-P energy: -111.522
bonds (distance) P-C4' energy: -118.126
flat angles C4'-P-C4' energy: -149.368
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -187.698
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -2077.860298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.860298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.604178 (E_RNA)
where:
Base-Base interactions energy: -1464.701
where: short stacking energy: -603.050
Base-Backbone interact. energy: -0.058
local terms energy: -622.845298
where:
bonds (distance) C4'-P energy: -106.425
bonds (distance) P-C4' energy: -121.462
flat angles C4'-P-C4' energy: -141.633
flat angles P-C4'-P energy: -83.448
tors. eta vs tors. theta energy: -169.877
Dist. restrs. and SS energy: 9.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1810.689792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.689792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.737435 (E_RNA)
where:
Base-Base interactions energy: -1271.991
where: short stacking energy: -526.630
Base-Backbone interact. energy: 0.582
local terms energy: -566.327843
where:
bonds (distance) C4'-P energy: -112.722
bonds (distance) P-C4' energy: -109.552
flat angles C4'-P-C4' energy: -132.543
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -140.985
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: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2775.770883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.770883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.709966 (E_RNA)
where:
Base-Base interactions energy: -1941.450
where: short stacking energy: -820.963
Base-Backbone interact. energy: -4.359
local terms energy: -833.900654
where:
bonds (distance) C4'-P energy: -145.021
bonds (distance) P-C4' energy: -152.519
flat angles C4'-P-C4' energy: -164.351
flat angles P-C4'-P energy: -123.491
tors. eta vs tors. theta energy: -248.519
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2643.035883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.035883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.662318 (E_RNA)
where:
Base-Base interactions energy: -1860.553
where: short stacking energy: -774.820
Base-Backbone interact. energy: -4.527
local terms energy: -781.582206
where:
bonds (distance) C4'-P energy: -137.770
bonds (distance) P-C4' energy: -143.605
flat angles C4'-P-C4' energy: -154.867
flat angles P-C4'-P energy: -116.992
tors. eta vs tors. theta energy: -228.348
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2637.096741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.096741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.028186 (E_RNA)
where:
Base-Base interactions energy: -1867.942
where: short stacking energy: -788.345
Base-Backbone interact. energy: -4.182
local terms energy: -767.904702
where:
bonds (distance) C4'-P energy: -137.989
bonds (distance) P-C4' energy: -143.559
flat angles C4'-P-C4' energy: -159.169
flat angles P-C4'-P energy: -102.631
tors. eta vs tors. theta energy: -224.556
Dist. restrs. and SS energy: 2.931 (S_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: 298
Temperature: 1.050000
Total energy: -2521.004203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.004203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.032443 (E_RNA)
where:
Base-Base interactions energy: -1769.985
where: short stacking energy: -738.096
Base-Backbone interact. energy: -2.697
local terms energy: -754.350536
where:
bonds (distance) C4'-P energy: -127.919
bonds (distance) P-C4' energy: -140.467
flat angles C4'-P-C4' energy: -161.981
flat angles P-C4'-P energy: -114.821
tors. eta vs tors. theta energy: -209.163
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: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2451.599334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.599334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.592421 (E_RNA)
where:
Base-Base interactions energy: -1720.574
where: short stacking energy: -750.925
Base-Backbone interact. energy: -0.617
local terms energy: -741.402030
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -140.034
flat angles C4'-P-C4' energy: -156.075
flat angles P-C4'-P energy: -99.787
tors. eta vs tors. theta energy: -220.460
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2364.460169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.460169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.122258 (E_RNA)
where:
Base-Base interactions energy: -1662.030
where: short stacking energy: -687.441
Base-Backbone interact. energy: -2.464
local terms energy: -709.628771
where:
bonds (distance) C4'-P energy: -125.681
bonds (distance) P-C4' energy: -135.114
flat angles C4'-P-C4' energy: -140.781
flat angles P-C4'-P energy: -100.467
tors. eta vs tors. theta energy: -207.587
Dist. restrs. and SS energy: 9.662 (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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2265.849889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.849889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.644042 (E_RNA)
where:
Base-Base interactions energy: -1591.797
where: short stacking energy: -684.188
Base-Backbone interact. energy: -2.385
local terms energy: -686.461710
where:
bonds (distance) C4'-P energy: -134.005
bonds (distance) P-C4' energy: -118.502
flat angles C4'-P-C4' energy: -160.202
flat angles P-C4'-P energy: -77.330
tors. eta vs tors. theta energy: -196.424
Dist. restrs. and SS energy: 14.794 (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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2233.829089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.829089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.916544 (E_RNA)
where:
Base-Base interactions energy: -1577.382
where: short stacking energy: -661.766
Base-Backbone interact. energy: 0.451
local terms energy: -669.984862
where:
bonds (distance) C4'-P energy: -108.142
bonds (distance) P-C4' energy: -137.228
flat angles C4'-P-C4' energy: -140.267
flat angles P-C4'-P energy: -89.102
tors. eta vs tors. theta energy: -195.245
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -2123.350932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.350932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.259774 (E_RNA)
where:
Base-Base interactions energy: -1491.373
where: short stacking energy: -604.977
Base-Backbone interact. energy: -0.164
local terms energy: -642.723406
where:
bonds (distance) C4'-P energy: -114.072
bonds (distance) P-C4' energy: -117.098
flat angles C4'-P-C4' energy: -145.663
flat angles P-C4'-P energy: -93.265
tors. eta vs tors. theta energy: -172.625
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: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1800.684397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.684397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.859229 (E_RNA)
where:
Base-Base interactions energy: -1261.303
where: short stacking energy: -520.811
Base-Backbone interact. energy: -3.854
local terms energy: -574.702616
where:
bonds (distance) C4'-P energy: -114.360
bonds (distance) P-C4' energy: -112.423
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -126.415
Dist. restrs. and SS energy: 39.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2807.342855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.342855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.245904 (E_RNA)
where:
Base-Base interactions energy: -1961.611
where: short stacking energy: -848.893
Base-Backbone interact. energy: -0.280
local terms energy: -851.354854
where:
bonds (distance) C4'-P energy: -145.117
bonds (distance) P-C4' energy: -146.834
flat angles C4'-P-C4' energy: -169.683
flat angles P-C4'-P energy: -130.858
tors. eta vs tors. theta energy: -258.863
Dist. restrs. and SS energy: 5.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2697.221117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.221117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.646221 (E_RNA)
where:
Base-Base interactions energy: -1895.046
where: short stacking energy: -826.528
Base-Backbone interact. energy: 3.322
local terms energy: -813.922507
where:
bonds (distance) C4'-P energy: -140.359
bonds (distance) P-C4' energy: -139.946
flat angles C4'-P-C4' energy: -171.693
flat angles P-C4'-P energy: -121.797
tors. eta vs tors. theta energy: -240.127
Dist. restrs. and SS energy: 8.425 (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: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2603.814124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.814124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.875033 (E_RNA)
where:
Base-Base interactions energy: -1809.234
where: short stacking energy: -764.144
Base-Backbone interact. energy: -3.090
local terms energy: -796.551353
where:
bonds (distance) C4'-P energy: -142.487
bonds (distance) P-C4' energy: -135.535
flat angles C4'-P-C4' energy: -163.353
flat angles P-C4'-P energy: -128.723
tors. eta vs tors. theta energy: -226.453
Dist. restrs. and SS energy: 5.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2532.657815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.657815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.522597 (E_RNA)
where:
Base-Base interactions energy: -1801.949
where: short stacking energy: -751.774
Base-Backbone interact. energy: 0.967
local terms energy: -736.540892
where:
bonds (distance) C4'-P energy: -125.714
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -159.643
flat angles P-C4'-P energy: -94.411
tors. eta vs tors. theta energy: -218.866
Dist. restrs. and SS energy: 4.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2436.240247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.373453 (E_RNA)
where:
Base-Base interactions energy: -1708.405
where: short stacking energy: -722.977
Base-Backbone interact. energy: 1.707
local terms energy: -738.676213
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -134.912
flat angles C4'-P-C4' energy: -162.685
flat angles P-C4'-P energy: -111.143
tors. eta vs tors. theta energy: -208.496
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: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2351.690174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.690174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.785739 (E_RNA)
where:
Base-Base interactions energy: -1652.101
where: short stacking energy: -700.398
Base-Backbone interact. energy: -1.954
local terms energy: -704.730824
where:
bonds (distance) C4'-P energy: -128.092
bonds (distance) P-C4' energy: -113.539
flat angles C4'-P-C4' energy: -143.411
flat angles P-C4'-P energy: -100.686
tors. eta vs tors. theta energy: -219.003
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2301.929100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.929100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.682916 (E_RNA)
where:
Base-Base interactions energy: -1655.973
where: short stacking energy: -686.104
Base-Backbone interact. energy: -0.934
local terms energy: -652.775334
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -106.684
flat angles C4'-P-C4' energy: -151.877
flat angles P-C4'-P energy: -94.928
tors. eta vs tors. theta energy: -194.132
Dist. restrs. and SS energy: 7.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2218.182339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.182339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.735957 (E_RNA)
where:
Base-Base interactions energy: -1566.697
where: short stacking energy: -654.972
Base-Backbone interact. energy: 1.224
local terms energy: -657.262159
where:
bonds (distance) C4'-P energy: -110.120
bonds (distance) P-C4' energy: -116.789
flat angles C4'-P-C4' energy: -133.375
flat angles P-C4'-P energy: -98.125
tors. eta vs tors. theta energy: -198.852
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: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -2065.016030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.016030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.828818 (E_RNA)
where:
Base-Base interactions energy: -1470.457
where: short stacking energy: -598.422
Base-Backbone interact. energy: 1.090
local terms energy: -610.461687
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -143.011
flat angles P-C4'-P energy: -96.129
tors. eta vs tors. theta energy: -163.224
Dist. restrs. and SS energy: 14.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1856.595940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.595940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.413163 (E_RNA)
where:
Base-Base interactions energy: -1288.578
where: short stacking energy: -538.646
Base-Backbone interact. energy: -4.516
local terms energy: -593.319433
where:
bonds (distance) C4'-P energy: -125.038
bonds (distance) P-C4' energy: -131.625
flat angles C4'-P-C4' energy: -115.662
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: -141.140
Dist. restrs. and SS energy: 29.817 (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: 300
Temperature: 0.900000
Total energy: -2786.326191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.326191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.247029 (E_RNA)
where:
Base-Base interactions energy: -1945.234
where: short stacking energy: -834.138
Base-Backbone interact. energy: -1.210
local terms energy: -843.802797
where:
bonds (distance) C4'-P energy: -143.097
bonds (distance) P-C4' energy: -142.295
flat angles C4'-P-C4' energy: -181.458
flat angles P-C4'-P energy: -120.863
tors. eta vs tors. theta energy: -256.090
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2696.288897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.288897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.187928 (E_RNA)
where:
Base-Base interactions energy: -1883.365
where: short stacking energy: -792.850
Base-Backbone interact. energy: -2.429
local terms energy: -813.393699
where:
bonds (distance) C4'-P energy: -132.323
bonds (distance) P-C4' energy: -144.616
flat angles C4'-P-C4' energy: -172.248
flat angles P-C4'-P energy: -128.518
tors. eta vs tors. theta energy: -235.688
Dist. restrs. and SS energy: 2.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2615.703505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.703505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.221419 (E_RNA)
where:
Base-Base interactions energy: -1828.758
where: short stacking energy: -779.588
Base-Backbone interact. energy: 1.667
local terms energy: -791.130570
where:
bonds (distance) C4'-P energy: -129.668
bonds (distance) P-C4' energy: -154.436
flat angles C4'-P-C4' energy: -155.154
flat angles P-C4'-P energy: -115.362
tors. eta vs tors. theta energy: -236.512
Dist. restrs. and SS energy: 2.518 (S_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: 300
Temperature: 1.050000
Total energy: -2511.598938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.598938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.850828 (E_RNA)
where:
Base-Base interactions energy: -1767.514
where: short stacking energy: -748.647
Base-Backbone interact. energy: 0.353
local terms energy: -749.689761
where:
bonds (distance) C4'-P energy: -135.299
bonds (distance) P-C4' energy: -128.070
flat angles C4'-P-C4' energy: -152.662
flat angles P-C4'-P energy: -115.666
tors. eta vs tors. theta energy: -217.993
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2448.449389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.449389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.197514 (E_RNA)
where:
Base-Base interactions energy: -1741.083
where: short stacking energy: -723.463
Base-Backbone interact. energy: -1.625
local terms energy: -711.489825
where:
bonds (distance) C4'-P energy: -131.352
bonds (distance) P-C4' energy: -121.369
flat angles C4'-P-C4' energy: -144.902
flat angles P-C4'-P energy: -112.748
tors. eta vs tors. theta energy: -201.118
Dist. restrs. and SS energy: 5.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2353.819235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.819235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.035805 (E_RNA)
where:
Base-Base interactions energy: -1672.832
where: short stacking energy: -699.676
Base-Backbone interact. energy: -1.865
local terms energy: -688.338241
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -126.867
flat angles C4'-P-C4' energy: -150.594
flat angles P-C4'-P energy: -94.814
tors. eta vs tors. theta energy: -201.881
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: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2288.598617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.598617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.562557 (E_RNA)
where:
Base-Base interactions energy: -1614.025
where: short stacking energy: -657.900
Base-Backbone interact. energy: -1.003
local terms energy: -679.534891
where:
bonds (distance) C4'-P energy: -106.982
bonds (distance) P-C4' energy: -122.116
flat angles C4'-P-C4' energy: -140.373
flat angles P-C4'-P energy: -106.501
tors. eta vs tors. theta energy: -203.563
Dist. restrs. and SS energy: 5.964 (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: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2199.643440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.643440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.040107 (E_RNA)
where:
Base-Base interactions energy: -1541.446
where: short stacking energy: -643.918
Base-Backbone interact. energy: -1.562
local terms energy: -665.031807
where:
bonds (distance) C4'-P energy: -118.908
bonds (distance) P-C4' energy: -104.040
flat angles C4'-P-C4' energy: -141.653
flat angles P-C4'-P energy: -98.607
tors. eta vs tors. theta energy: -201.823
Dist. restrs. and SS energy: 8.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -2103.949428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.949428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.807566 (E_RNA)
where:
Base-Base interactions energy: -1464.580
where: short stacking energy: -614.291
Base-Backbone interact. energy: -3.005
local terms energy: -648.221655
where:
bonds (distance) C4'-P energy: -129.333
bonds (distance) P-C4' energy: -104.035
flat angles C4'-P-C4' energy: -149.013
flat angles P-C4'-P energy: -100.198
tors. eta vs tors. theta energy: -165.642
Dist. restrs. and SS energy: 11.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1787.681402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.681402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.094909 (E_RNA)
where:
Base-Base interactions energy: -1243.842
where: short stacking energy: -502.337
Base-Backbone interact. energy: 2.100
local terms energy: -566.352475
where:
bonds (distance) C4'-P energy: -96.432
bonds (distance) P-C4' energy: -119.998
flat angles C4'-P-C4' energy: -127.316
flat angles P-C4'-P energy: -85.448
tors. eta vs tors. theta energy: -137.159
Dist. restrs. and SS energy: 20.414 (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: 301
Temperature: 0.900000
Total energy: -2802.525663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.525663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.076868 (E_RNA)
where:
Base-Base interactions energy: -1975.573
where: short stacking energy: -841.127
Base-Backbone interact. energy: -3.813
local terms energy: -826.691010
where:
bonds (distance) C4'-P energy: -148.013
bonds (distance) P-C4' energy: -146.776
flat angles C4'-P-C4' energy: -164.725
flat angles P-C4'-P energy: -118.704
tors. eta vs tors. theta energy: -248.473
Dist. restrs. and SS energy: 3.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2693.140889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.140889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.731282 (E_RNA)
where:
Base-Base interactions energy: -1861.758
where: short stacking energy: -781.724
Base-Backbone interact. energy: -2.174
local terms energy: -831.799606
where:
bonds (distance) C4'-P energy: -153.529
bonds (distance) P-C4' energy: -146.840
flat angles C4'-P-C4' energy: -167.825
flat angles P-C4'-P energy: -123.254
tors. eta vs tors. theta energy: -240.351
Dist. restrs. and SS energy: 2.590 (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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2593.390143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.390143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.610141 (E_RNA)
where:
Base-Base interactions energy: -1818.373
where: short stacking energy: -756.203
Base-Backbone interact. energy: -3.655
local terms energy: -776.582587
where:
bonds (distance) C4'-P energy: -139.728
bonds (distance) P-C4' energy: -140.090
flat angles C4'-P-C4' energy: -165.079
flat angles P-C4'-P energy: -101.348
tors. eta vs tors. theta energy: -230.338
Dist. restrs. and SS energy: 5.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2534.164298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.164298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.684333 (E_RNA)
where:
Base-Base interactions energy: -1799.589
where: short stacking energy: -754.719
Base-Backbone interact. energy: 0.668
local terms energy: -738.763242
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -129.230
flat angles C4'-P-C4' energy: -143.279
flat angles P-C4'-P energy: -105.104
tors. eta vs tors. theta energy: -226.509
Dist. restrs. and SS energy: 3.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2447.617414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.617414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.563499 (E_RNA)
where:
Base-Base interactions energy: -1756.481
where: short stacking energy: -729.590
Base-Backbone interact. energy: -1.894
local terms energy: -697.188359
where:
bonds (distance) C4'-P energy: -106.197
bonds (distance) P-C4' energy: -128.250
flat angles C4'-P-C4' energy: -152.688
flat angles P-C4'-P energy: -95.416
tors. eta vs tors. theta energy: -214.638
Dist. restrs. and SS energy: 7.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2350.003548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.003548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.873341 (E_RNA)
where:
Base-Base interactions energy: -1646.105
where: short stacking energy: -680.951
Base-Backbone interact. energy: -1.364
local terms energy: -708.404328
where:
bonds (distance) C4'-P energy: -126.337
bonds (distance) P-C4' energy: -120.585
flat angles C4'-P-C4' energy: -151.463
flat angles P-C4'-P energy: -105.334
tors. eta vs tors. theta energy: -204.685
Dist. restrs. and SS energy: 5.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2285.264309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.264309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.661811 (E_RNA)
where:
Base-Base interactions energy: -1622.609
where: short stacking energy: -663.470
Base-Backbone interact. energy: -4.093
local terms energy: -663.958917
where:
bonds (distance) C4'-P energy: -99.756
bonds (distance) P-C4' energy: -134.676
flat angles C4'-P-C4' energy: -134.134
flat angles P-C4'-P energy: -97.068
tors. eta vs tors. theta energy: -198.324
Dist. restrs. and SS energy: 5.398 (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: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2124.287455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.287455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.303228 (E_RNA)
where:
Base-Base interactions energy: -1501.842
where: short stacking energy: -622.110
Base-Backbone interact. energy: -4.015
local terms energy: -629.446205
where:
bonds (distance) C4'-P energy: -115.145
bonds (distance) P-C4' energy: -116.352
flat angles C4'-P-C4' energy: -139.571
flat angles P-C4'-P energy: -78.101
tors. eta vs tors. theta energy: -180.278
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: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -2110.422341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.422341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.428441 (E_RNA)
where:
Base-Base interactions energy: -1514.180
where: short stacking energy: -626.311
Base-Backbone interact. energy: -1.969
local terms energy: -606.278887
where:
bonds (distance) C4'-P energy: -121.506
bonds (distance) P-C4' energy: -98.185
flat angles C4'-P-C4' energy: -120.117
flat angles P-C4'-P energy: -86.399
tors. eta vs tors. theta energy: -180.072
Dist. restrs. and SS energy: 12.006 (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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1863.155975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.155975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.905715 (E_RNA)
where:
Base-Base interactions energy: -1316.308
where: short stacking energy: -545.415
Base-Backbone interact. energy: -1.195
local terms energy: -568.402840
where:
bonds (distance) C4'-P energy: -105.526
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -150.968
flat angles P-C4'-P energy: -81.428
tors. eta vs tors. theta energy: -139.512
Dist. restrs. and SS energy: 22.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2811.254174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.254174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.351156 (E_RNA)
where:
Base-Base interactions energy: -1979.799
where: short stacking energy: -823.741
Base-Backbone interact. energy: -1.887
local terms energy: -831.665042
where:
bonds (distance) C4'-P energy: -137.461
bonds (distance) P-C4' energy: -152.539
flat angles C4'-P-C4' energy: -179.210
flat angles P-C4'-P energy: -109.726
tors. eta vs tors. theta energy: -252.728
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: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2703.493087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.493087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.554677 (E_RNA)
where:
Base-Base interactions energy: -1908.702
where: short stacking energy: -811.039
Base-Backbone interact. energy: 0.133
local terms energy: -797.985525
where:
bonds (distance) C4'-P energy: -144.369
bonds (distance) P-C4' energy: -138.789
flat angles C4'-P-C4' energy: -159.197
flat angles P-C4'-P energy: -103.719
tors. eta vs tors. theta energy: -251.911
Dist. restrs. and SS energy: 3.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2613.989961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.989961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.777137 (E_RNA)
where:
Base-Base interactions energy: -1852.124
where: short stacking energy: -786.523
Base-Backbone interact. energy: 1.064
local terms energy: -767.717568
where:
bonds (distance) C4'-P energy: -135.920
bonds (distance) P-C4' energy: -136.361
flat angles C4'-P-C4' energy: -163.658
flat angles P-C4'-P energy: -105.500
tors. eta vs tors. theta energy: -226.279
Dist. restrs. and SS energy: 4.787 (S_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: 302
Temperature: 1.050000
Total energy: -2516.416507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.416507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.249834 (E_RNA)
where:
Base-Base interactions energy: -1791.834
where: short stacking energy: -752.148
Base-Backbone interact. energy: -1.523
local terms energy: -729.892278
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -138.008
flat angles C4'-P-C4' energy: -154.327
flat angles P-C4'-P energy: -103.588
tors. eta vs tors. theta energy: -222.883
Dist. restrs. and SS energy: 6.833 (S_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: -2450.456954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.456954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.858840 (E_RNA)
where:
Base-Base interactions energy: -1717.814
where: short stacking energy: -710.259
Base-Backbone interact. energy: -2.402
local terms energy: -736.642233
where:
bonds (distance) C4'-P energy: -127.133
bonds (distance) P-C4' energy: -131.661
flat angles C4'-P-C4' energy: -152.174
flat angles P-C4'-P energy: -111.806
tors. eta vs tors. theta energy: -213.868
Dist. restrs. and SS energy: 6.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2328.527414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.527414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.353805 (E_RNA)
where:
Base-Base interactions energy: -1642.375
where: short stacking energy: -686.847
Base-Backbone interact. energy: -2.269
local terms energy: -693.710023
where:
bonds (distance) C4'-P energy: -136.840
bonds (distance) P-C4' energy: -126.907
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -199.715
Dist. restrs. and SS energy: 9.826 (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: 302
Temperature: 1.200000
Total energy: -2242.982098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.982098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.809764 (E_RNA)
where:
Base-Base interactions energy: -1585.675
where: short stacking energy: -658.752
Base-Backbone interact. energy: 1.365
local terms energy: -671.499366
where:
bonds (distance) C4'-P energy: -133.497
bonds (distance) P-C4' energy: -113.873
flat angles C4'-P-C4' energy: -143.434
flat angles P-C4'-P energy: -88.984
tors. eta vs tors. theta energy: -191.712
Dist. restrs. and SS energy: 12.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2101.700830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.700830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.303455 (E_RNA)
where:
Base-Base interactions energy: -1509.432
where: short stacking energy: -613.456
Base-Backbone interact. energy: 4.631
local terms energy: -610.502234
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -113.552
flat angles C4'-P-C4' energy: -153.887
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -167.096
Dist. restrs. and SS energy: 13.603 (S_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: 302
Temperature: 1.300000
Total energy: -2120.418598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.418598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.172365 (E_RNA)
where:
Base-Base interactions energy: -1526.090
where: short stacking energy: -617.216
Base-Backbone interact. energy: 0.760
local terms energy: -600.841489
where:
bonds (distance) C4'-P energy: -114.555
bonds (distance) P-C4' energy: -89.491
flat angles C4'-P-C4' energy: -135.826
flat angles P-C4'-P energy: -83.435
tors. eta vs tors. theta energy: -177.535
Dist. restrs. and SS energy: 5.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1847.131391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.131391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.757849 (E_RNA)
where:
Base-Base interactions energy: -1300.099
where: short stacking energy: -533.008
Base-Backbone interact. energy: -3.911
local terms energy: -566.748307
where:
bonds (distance) C4'-P energy: -101.724
bonds (distance) P-C4' energy: -114.536
flat angles C4'-P-C4' energy: -131.661
flat angles P-C4'-P energy: -71.598
tors. eta vs tors. theta energy: -147.229
Dist. restrs. and SS energy: 23.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2820.546746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.546746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.064141 (E_RNA)
where:
Base-Base interactions energy: -1988.229
where: short stacking energy: -835.949
Base-Backbone interact. energy: -0.074
local terms energy: -835.760691
where:
bonds (distance) C4'-P energy: -144.665
bonds (distance) P-C4' energy: -157.700
flat angles C4'-P-C4' energy: -172.064
flat angles P-C4'-P energy: -115.519
tors. eta vs tors. theta energy: -245.812
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2704.082553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.931608 (E_RNA)
where:
Base-Base interactions energy: -1887.725
where: short stacking energy: -800.917
Base-Backbone interact. energy: -2.125
local terms energy: -818.082018
where:
bonds (distance) C4'-P energy: -141.427
bonds (distance) P-C4' energy: -144.971
flat angles C4'-P-C4' energy: -171.967
flat angles P-C4'-P energy: -114.650
tors. eta vs tors. theta energy: -245.067
Dist. restrs. and SS energy: 3.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2610.355359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.355359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.358645 (E_RNA)
where:
Base-Base interactions energy: -1835.352
where: short stacking energy: -776.600
Base-Backbone interact. energy: -2.842
local terms energy: -777.164750
where:
bonds (distance) C4'-P energy: -139.833
bonds (distance) P-C4' energy: -142.054
flat angles C4'-P-C4' energy: -167.244
flat angles P-C4'-P energy: -97.956
tors. eta vs tors. theta energy: -230.078
Dist. restrs. and SS energy: 5.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2520.000670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.000670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.868403 (E_RNA)
where:
Base-Base interactions energy: -1768.349
where: short stacking energy: -742.970
Base-Backbone interact. energy: -3.060
local terms energy: -754.459221
where:
bonds (distance) C4'-P energy: -149.719
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -159.662
flat angles P-C4'-P energy: -102.816
tors. eta vs tors. theta energy: -218.799
Dist. restrs. and SS energy: 5.868 (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: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2433.165542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.165542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.406330 (E_RNA)
where:
Base-Base interactions energy: -1720.936
where: short stacking energy: -719.375
Base-Backbone interact. energy: -0.194
local terms energy: -720.276998
where:
bonds (distance) C4'-P energy: -135.821
bonds (distance) P-C4' energy: -123.261
flat angles C4'-P-C4' energy: -152.719
flat angles P-C4'-P energy: -103.323
tors. eta vs tors. theta energy: -205.153
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: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2352.136503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.136503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.378537 (E_RNA)
where:
Base-Base interactions energy: -1672.195
where: short stacking energy: -699.257
Base-Backbone interact. energy: 0.925
local terms energy: -687.108236
where:
bonds (distance) C4'-P energy: -121.968
bonds (distance) P-C4' energy: -136.332
flat angles C4'-P-C4' energy: -137.183
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -201.067
Dist. restrs. and SS energy: 6.242 (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: 303
Temperature: 1.200000
Total energy: -2220.231140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.231140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.299752 (E_RNA)
where:
Base-Base interactions energy: -1559.755
where: short stacking energy: -644.945
Base-Backbone interact. energy: -0.667
local terms energy: -670.877581
where:
bonds (distance) C4'-P energy: -109.259
bonds (distance) P-C4' energy: -121.754
flat angles C4'-P-C4' energy: -146.844
flat angles P-C4'-P energy: -102.654
tors. eta vs tors. theta energy: -190.366
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: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2206.327560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.327560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.317425 (E_RNA)
where:
Base-Base interactions energy: -1577.694
where: short stacking energy: -641.176
Base-Backbone interact. energy: 5.121
local terms energy: -639.744872
where:
bonds (distance) C4'-P energy: -114.311
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -137.086
flat angles P-C4'-P energy: -98.947
tors. eta vs tors. theta energy: -170.752
Dist. restrs. and SS energy: 5.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -2054.084079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.084079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.642618 (E_RNA)
where:
Base-Base interactions energy: -1413.269
where: short stacking energy: -593.878
Base-Backbone interact. energy: -2.176
local terms energy: -649.197126
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -123.487
flat angles C4'-P-C4' energy: -133.245
flat angles P-C4'-P energy: -97.064
tors. eta vs tors. theta energy: -180.501
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: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1926.030958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.030958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.081242 (E_RNA)
where:
Base-Base interactions energy: -1391.171
where: short stacking energy: -574.337
Base-Backbone interact. energy: -0.859
local terms energy: -558.051446
where:
bonds (distance) C4'-P energy: -111.241
bonds (distance) P-C4' energy: -103.903
flat angles C4'-P-C4' energy: -116.065
flat angles P-C4'-P energy: -78.902
tors. eta vs tors. theta energy: -147.941
Dist. restrs. and SS energy: 24.050 (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: 304
Temperature: 0.900000
Total energy: -2793.530535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.530535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.668090 (E_RNA)
where:
Base-Base interactions energy: -1961.654
where: short stacking energy: -831.184
Base-Backbone interact. energy: -2.925
local terms energy: -831.089028
where:
bonds (distance) C4'-P energy: -140.333
bonds (distance) P-C4' energy: -156.071
flat angles C4'-P-C4' energy: -178.498
flat angles P-C4'-P energy: -101.018
tors. eta vs tors. theta energy: -255.169
Dist. restrs. and SS energy: 2.138 (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: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2708.899225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.899225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.779995 (E_RNA)
where:
Base-Base interactions energy: -1911.103
where: short stacking energy: -805.735
Base-Backbone interact. energy: -3.493
local terms energy: -797.183843
where:
bonds (distance) C4'-P energy: -155.596
bonds (distance) P-C4' energy: -133.800
flat angles C4'-P-C4' energy: -165.067
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -239.415
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2626.580863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.580863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.245099 (E_RNA)
where:
Base-Base interactions energy: -1826.663
where: short stacking energy: -773.378
Base-Backbone interact. energy: 0.510
local terms energy: -804.091910
where:
bonds (distance) C4'-P energy: -150.023
bonds (distance) P-C4' energy: -152.228
flat angles C4'-P-C4' energy: -163.965
flat angles P-C4'-P energy: -108.341
tors. eta vs tors. theta energy: -229.534
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: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2535.090460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.090460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.184076 (E_RNA)
where:
Base-Base interactions energy: -1788.349
where: short stacking energy: -741.377
Base-Backbone interact. energy: -3.700
local terms energy: -747.135488
where:
bonds (distance) C4'-P energy: -128.537
bonds (distance) P-C4' energy: -127.821
flat angles C4'-P-C4' energy: -163.574
flat angles P-C4'-P energy: -112.512
tors. eta vs tors. theta energy: -214.693
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2453.450799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.450799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.935456 (E_RNA)
where:
Base-Base interactions energy: -1721.716
where: short stacking energy: -707.845
Base-Backbone interact. energy: -3.437
local terms energy: -737.782145
where:
bonds (distance) C4'-P energy: -127.397
bonds (distance) P-C4' energy: -127.886
flat angles C4'-P-C4' energy: -154.879
flat angles P-C4'-P energy: -112.946
tors. eta vs tors. theta energy: -214.673
Dist. restrs. and SS energy: 9.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2369.946051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.946051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.947492 (E_RNA)
where:
Base-Base interactions energy: -1673.756
where: short stacking energy: -702.819
Base-Backbone interact. energy: -3.358
local terms energy: -701.833219
where:
bonds (distance) C4'-P energy: -123.227
bonds (distance) P-C4' energy: -128.826
flat angles C4'-P-C4' energy: -146.795
flat angles P-C4'-P energy: -100.694
tors. eta vs tors. theta energy: -202.293
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2276.142115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.142115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.044288 (E_RNA)
where:
Base-Base interactions energy: -1616.061
where: short stacking energy: -648.271
Base-Backbone interact. energy: -5.367
local terms energy: -661.615629
where:
bonds (distance) C4'-P energy: -116.248
bonds (distance) P-C4' energy: -120.673
flat angles C4'-P-C4' energy: -161.193
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -187.642
Dist. restrs. and SS energy: 6.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2239.420154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.420154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.135341 (E_RNA)
where:
Base-Base interactions energy: -1583.382
where: short stacking energy: -671.364
Base-Backbone interact. energy: -4.537
local terms energy: -659.217134
where:
bonds (distance) C4'-P energy: -112.237
bonds (distance) P-C4' energy: -108.205
flat angles C4'-P-C4' energy: -155.354
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -193.508
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -2075.373346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.373346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.056204 (E_RNA)
where:
Base-Base interactions energy: -1463.796
where: short stacking energy: -622.687
Base-Backbone interact. energy: -0.555
local terms energy: -624.705492
where:
bonds (distance) C4'-P energy: -126.465
bonds (distance) P-C4' energy: -95.964
flat angles C4'-P-C4' energy: -142.095
flat angles P-C4'-P energy: -85.884
tors. eta vs tors. theta energy: -174.297
Dist. restrs. and SS energy: 13.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1914.172475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.172475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.974862 (E_RNA)
where:
Base-Base interactions energy: -1345.618
where: short stacking energy: -553.026
Base-Backbone interact. energy: 1.790
local terms energy: -585.146789
where:
bonds (distance) C4'-P energy: -79.366
bonds (distance) P-C4' energy: -115.260
flat angles C4'-P-C4' energy: -145.666
flat angles P-C4'-P energy: -102.086
tors. eta vs tors. theta energy: -142.768
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: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2783.264789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.264789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.195231 (E_RNA)
where:
Base-Base interactions energy: -1946.056
where: short stacking energy: -833.231
Base-Backbone interact. energy: 1.004
local terms energy: -842.142494
where:
bonds (distance) C4'-P energy: -148.267
bonds (distance) P-C4' energy: -156.620
flat angles C4'-P-C4' energy: -176.555
flat angles P-C4'-P energy: -109.911
tors. eta vs tors. theta energy: -250.789
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2692.779822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.779822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.098075 (E_RNA)
where:
Base-Base interactions energy: -1863.402
where: short stacking energy: -785.725
Base-Backbone interact. energy: -2.301
local terms energy: -830.395076
where:
bonds (distance) C4'-P energy: -136.944
bonds (distance) P-C4' energy: -151.014
flat angles C4'-P-C4' energy: -170.315
flat angles P-C4'-P energy: -126.412
tors. eta vs tors. theta energy: -245.710
Dist. restrs. and SS energy: 3.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2634.729087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.729087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.233118 (E_RNA)
where:
Base-Base interactions energy: -1838.989
where: short stacking energy: -781.351
Base-Backbone interact. energy: -3.227
local terms energy: -799.017780
where:
bonds (distance) C4'-P energy: -145.777
bonds (distance) P-C4' energy: -138.283
flat angles C4'-P-C4' energy: -161.325
flat angles P-C4'-P energy: -116.972
tors. eta vs tors. theta energy: -236.661
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: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2530.122849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.122849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.298423 (E_RNA)
where:
Base-Base interactions energy: -1781.034
where: short stacking energy: -745.786
Base-Backbone interact. energy: -2.555
local terms energy: -749.709602
where:
bonds (distance) C4'-P energy: -125.663
bonds (distance) P-C4' energy: -138.960
flat angles C4'-P-C4' energy: -161.321
flat angles P-C4'-P energy: -109.501
tors. eta vs tors. theta energy: -214.264
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2470.909713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.909713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.953304 (E_RNA)
where:
Base-Base interactions energy: -1729.665
where: short stacking energy: -731.246
Base-Backbone interact. energy: -3.171
local terms energy: -743.117588
where:
bonds (distance) C4'-P energy: -138.059
bonds (distance) P-C4' energy: -126.973
flat angles C4'-P-C4' energy: -163.471
flat angles P-C4'-P energy: -96.529
tors. eta vs tors. theta energy: -218.084
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: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2320.598220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.598220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.928940 (E_RNA)
where:
Base-Base interactions energy: -1617.081
where: short stacking energy: -678.876
Base-Backbone interact. energy: -2.347
local terms energy: -705.500669
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -130.557
flat angles C4'-P-C4' energy: -142.260
flat angles P-C4'-P energy: -96.991
tors. eta vs tors. theta energy: -213.395
Dist. restrs. and SS energy: 4.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2276.985476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.985476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.965712 (E_RNA)
where:
Base-Base interactions energy: -1618.081
where: short stacking energy: -660.190
Base-Backbone interact. energy: -2.160
local terms energy: -665.723885
where:
bonds (distance) C4'-P energy: -118.831
bonds (distance) P-C4' energy: -130.270
flat angles C4'-P-C4' energy: -143.903
flat angles P-C4'-P energy: -90.379
tors. eta vs tors. theta energy: -182.340
Dist. restrs. and SS energy: 8.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2217.276815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.276815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.551996 (E_RNA)
where:
Base-Base interactions energy: -1551.314
where: short stacking energy: -617.421
Base-Backbone interact. energy: -2.209
local terms energy: -674.028939
where:
bonds (distance) C4'-P energy: -119.585
bonds (distance) P-C4' energy: -117.943
flat angles C4'-P-C4' energy: -142.364
flat angles P-C4'-P energy: -95.572
tors. eta vs tors. theta energy: -198.565
Dist. restrs. and SS energy: 10.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -2063.097520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.097520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.336427 (E_RNA)
where:
Base-Base interactions energy: -1469.159
where: short stacking energy: -621.978
Base-Backbone interact. energy: -3.753
local terms energy: -601.424364
where:
bonds (distance) C4'-P energy: -121.205
bonds (distance) P-C4' energy: -96.980
flat angles C4'-P-C4' energy: -135.244
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -175.832
Dist. restrs. and SS energy: 11.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1978.488532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.488532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.143187 (E_RNA)
where:
Base-Base interactions energy: -1400.445
where: short stacking energy: -598.408
Base-Backbone interact. energy: -1.802
local terms energy: -602.895908
where:
bonds (distance) C4'-P energy: -110.324
bonds (distance) P-C4' energy: -91.781
flat angles C4'-P-C4' energy: -133.004
flat angles P-C4'-P energy: -92.591
tors. eta vs tors. theta energy: -175.195
Dist. restrs. and SS energy: 26.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2760.597260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.597260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.672889 (E_RNA)
where:
Base-Base interactions energy: -1935.163
where: short stacking energy: -811.850
Base-Backbone interact. energy: -0.505
local terms energy: -828.005370
where:
bonds (distance) C4'-P energy: -143.541
bonds (distance) P-C4' energy: -143.177
flat angles C4'-P-C4' energy: -167.125
flat angles P-C4'-P energy: -128.821
tors. eta vs tors. theta energy: -245.341
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: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2701.482689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.482689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.677600 (E_RNA)
where:
Base-Base interactions energy: -1892.498
where: short stacking energy: -802.044
Base-Backbone interact. energy: -2.140
local terms energy: -811.039062
where:
bonds (distance) C4'-P energy: -140.473
bonds (distance) P-C4' energy: -146.478
flat angles C4'-P-C4' energy: -166.998
flat angles P-C4'-P energy: -116.460
tors. eta vs tors. theta energy: -240.629
Dist. restrs. and SS energy: 4.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2606.636537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.636537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.551579 (E_RNA)
where:
Base-Base interactions energy: -1819.881
where: short stacking energy: -772.174
Base-Backbone interact. energy: -3.612
local terms energy: -788.057937
where:
bonds (distance) C4'-P energy: -131.566
bonds (distance) P-C4' energy: -139.228
flat angles C4'-P-C4' energy: -161.987
flat angles P-C4'-P energy: -122.101
tors. eta vs tors. theta energy: -233.177
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: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2540.168412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.168412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.724540 (E_RNA)
where:
Base-Base interactions energy: -1794.675
where: short stacking energy: -750.928
Base-Backbone interact. energy: -1.149
local terms energy: -750.900152
where:
bonds (distance) C4'-P energy: -137.037
bonds (distance) P-C4' energy: -137.497
flat angles C4'-P-C4' energy: -155.817
flat angles P-C4'-P energy: -101.847
tors. eta vs tors. theta energy: -218.702
Dist. restrs. and SS energy: 6.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2401.165642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.165642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.574007 (E_RNA)
where:
Base-Base interactions energy: -1668.626
where: short stacking energy: -707.193
Base-Backbone interact. energy: -2.186
local terms energy: -737.762003
where:
bonds (distance) C4'-P energy: -140.698
bonds (distance) P-C4' energy: -136.129
flat angles C4'-P-C4' energy: -162.571
flat angles P-C4'-P energy: -96.093
tors. eta vs tors. theta energy: -202.271
Dist. restrs. and SS energy: 7.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2371.059441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.059441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.466834 (E_RNA)
where:
Base-Base interactions energy: -1686.087
where: short stacking energy: -717.061
Base-Backbone interact. energy: -2.442
local terms energy: -693.938357
where:
bonds (distance) C4'-P energy: -124.336
bonds (distance) P-C4' energy: -112.067
flat angles C4'-P-C4' energy: -144.563
flat angles P-C4'-P energy: -106.354
tors. eta vs tors. theta energy: -206.618
Dist. restrs. and SS energy: 11.407 (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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2322.106922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.106922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.342504 (E_RNA)
where:
Base-Base interactions energy: -1633.539
where: short stacking energy: -678.855
Base-Backbone interact. energy: -0.532
local terms energy: -699.270940
where:
bonds (distance) C4'-P energy: -127.328
bonds (distance) P-C4' energy: -115.700
flat angles C4'-P-C4' energy: -150.433
flat angles P-C4'-P energy: -102.393
tors. eta vs tors. theta energy: -203.418
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: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2243.855345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.855345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.055097 (E_RNA)
where:
Base-Base interactions energy: -1607.242
where: short stacking energy: -670.089
Base-Backbone interact. energy: 0.994
local terms energy: -644.806261
where:
bonds (distance) C4'-P energy: -104.053
bonds (distance) P-C4' energy: -117.999
flat angles C4'-P-C4' energy: -147.468
flat angles P-C4'-P energy: -81.425
tors. eta vs tors. theta energy: -193.862
Dist. restrs. and SS energy: 7.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -2135.941029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.941029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.397684 (E_RNA)
where:
Base-Base interactions energy: -1513.420
where: short stacking energy: -638.375
Base-Backbone interact. energy: -3.094
local terms energy: -627.883810
where:
bonds (distance) C4'-P energy: -108.472
bonds (distance) P-C4' energy: -89.503
flat angles C4'-P-C4' energy: -158.823
flat angles P-C4'-P energy: -87.044
tors. eta vs tors. theta energy: -184.041
Dist. restrs. and SS energy: 8.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1883.240037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.240037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.918327 (E_RNA)
where:
Base-Base interactions energy: -1354.026
where: short stacking energy: -553.851
Base-Backbone interact. energy: -3.297
local terms energy: -555.595337
where:
bonds (distance) C4'-P energy: -112.900
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -134.591
flat angles P-C4'-P energy: -61.184
tors. eta vs tors. theta energy: -151.753
Dist. restrs. and SS energy: 29.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2788.329215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.848788 (E_RNA)
where:
Base-Base interactions energy: -1934.499
where: short stacking energy: -824.078
Base-Backbone interact. energy: -2.952
local terms energy: -856.397590
where:
bonds (distance) C4'-P energy: -148.971
bonds (distance) P-C4' energy: -158.069
flat angles C4'-P-C4' energy: -178.120
flat angles P-C4'-P energy: -116.358
tors. eta vs tors. theta energy: -254.880
Dist. restrs. and SS energy: 5.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2681.626298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.626298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.724039 (E_RNA)
where:
Base-Base interactions energy: -1889.089
where: short stacking energy: -817.624
Base-Backbone interact. energy: 0.316
local terms energy: -794.950250
where:
bonds (distance) C4'-P energy: -139.737
bonds (distance) P-C4' energy: -143.481
flat angles C4'-P-C4' energy: -165.337
flat angles P-C4'-P energy: -101.245
tors. eta vs tors. theta energy: -245.151
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2610.126036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.126036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.992221 (E_RNA)
where:
Base-Base interactions energy: -1835.226
where: short stacking energy: -800.952
Base-Backbone interact. energy: -3.380
local terms energy: -780.386172
where:
bonds (distance) C4'-P energy: -138.102
bonds (distance) P-C4' energy: -116.798
flat angles C4'-P-C4' energy: -172.994
flat angles P-C4'-P energy: -119.127
tors. eta vs tors. theta energy: -233.366
Dist. restrs. and SS energy: 8.866 (S_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: 307
Temperature: 1.050000
Total energy: -2510.709659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.709659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.375911 (E_RNA)
where:
Base-Base interactions energy: -1787.069
where: short stacking energy: -752.900
Base-Backbone interact. energy: -3.399
local terms energy: -726.908166
where:
bonds (distance) C4'-P energy: -127.940
bonds (distance) P-C4' energy: -132.787
flat angles C4'-P-C4' energy: -153.345
flat angles P-C4'-P energy: -92.119
tors. eta vs tors. theta energy: -220.717
Dist. restrs. and SS energy: 6.666 (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: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2393.086438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.086438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.494890 (E_RNA)
where:
Base-Base interactions energy: -1697.506
where: short stacking energy: -724.447
Base-Backbone interact. energy: 0.511
local terms energy: -706.500139
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -124.901
flat angles C4'-P-C4' energy: -157.918
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -206.508
Dist. restrs. and SS energy: 10.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2395.651957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.651957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.154668 (E_RNA)
where:
Base-Base interactions energy: -1699.654
where: short stacking energy: -660.568
Base-Backbone interact. energy: -3.120
local terms energy: -702.380977
where:
bonds (distance) C4'-P energy: -113.580
bonds (distance) P-C4' energy: -131.326
flat angles C4'-P-C4' energy: -153.858
flat angles P-C4'-P energy: -95.581
tors. eta vs tors. theta energy: -208.035
Dist. restrs. and SS energy: 9.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2306.681848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.681848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.160838 (E_RNA)
where:
Base-Base interactions energy: -1620.577
where: short stacking energy: -693.289
Base-Backbone interact. energy: -0.561
local terms energy: -694.022518
where:
bonds (distance) C4'-P energy: -103.035
bonds (distance) P-C4' energy: -122.890
flat angles C4'-P-C4' energy: -152.375
flat angles P-C4'-P energy: -102.872
tors. eta vs tors. theta energy: -212.850
Dist. restrs. and SS energy: 8.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -2232.809050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.809050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.577584 (E_RNA)
where:
Base-Base interactions energy: -1563.974
where: short stacking energy: -652.405
Base-Backbone interact. energy: -1.345
local terms energy: -677.258490
where:
bonds (distance) C4'-P energy: -128.362
bonds (distance) P-C4' energy: -120.422
flat angles C4'-P-C4' energy: -140.066
flat angles P-C4'-P energy: -89.661
tors. eta vs tors. theta energy: -198.747
Dist. restrs. and SS energy: 9.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -2141.818417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.818417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.361725 (E_RNA)
where:
Base-Base interactions energy: -1561.321
where: short stacking energy: -638.206
Base-Backbone interact. energy: 11.020
local terms energy: -597.060411
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -122.366
flat angles P-C4'-P energy: -92.370
tors. eta vs tors. theta energy: -190.046
Dist. restrs. and SS energy: 5.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1850.173530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.173530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.000259 (E_RNA)
where:
Base-Base interactions energy: -1292.743
where: short stacking energy: -528.600
Base-Backbone interact. energy: -1.578
local terms energy: -591.678571
where:
bonds (distance) C4'-P energy: -100.741
bonds (distance) P-C4' energy: -125.140
flat angles C4'-P-C4' energy: -135.332
flat angles P-C4'-P energy: -83.490
tors. eta vs tors. theta energy: -146.975
Dist. restrs. and SS energy: 35.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2774.542403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.542403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.508541 (E_RNA)
where:
Base-Base interactions energy: -1959.505
where: short stacking energy: -838.235
Base-Backbone interact. energy: -1.226
local terms energy: -817.777622
where:
bonds (distance) C4'-P energy: -129.904
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -180.100
flat angles P-C4'-P energy: -112.704
tors. eta vs tors. theta energy: -248.450
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2707.626281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.626281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.567310 (E_RNA)
where:
Base-Base interactions energy: -1887.952
where: short stacking energy: -813.372
Base-Backbone interact. energy: -2.536
local terms energy: -821.079486
where:
bonds (distance) C4'-P energy: -144.882
bonds (distance) P-C4' energy: -142.015
flat angles C4'-P-C4' energy: -168.721
flat angles P-C4'-P energy: -112.265
tors. eta vs tors. theta energy: -253.196
Dist. restrs. and SS energy: 3.941 (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: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2595.487662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.487662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.009875 (E_RNA)
where:
Base-Base interactions energy: -1826.993
where: short stacking energy: -762.265
Base-Backbone interact. energy: -4.329
local terms energy: -770.687944
where:
bonds (distance) C4'-P energy: -138.598
bonds (distance) P-C4' energy: -133.170
flat angles C4'-P-C4' energy: -164.457
flat angles P-C4'-P energy: -106.398
tors. eta vs tors. theta energy: -228.066
Dist. restrs. and SS energy: 6.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2559.551128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.551128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.809997 (E_RNA)
where:
Base-Base interactions energy: -1795.221
where: short stacking energy: -774.937
Base-Backbone interact. energy: -1.734
local terms energy: -768.854517
where:
bonds (distance) C4'-P energy: -125.489
bonds (distance) P-C4' energy: -138.242
flat angles C4'-P-C4' energy: -164.324
flat angles P-C4'-P energy: -113.221
tors. eta vs tors. theta energy: -227.579
Dist. restrs. and SS energy: 6.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2384.070310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.070310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.794943 (E_RNA)
where:
Base-Base interactions energy: -1706.649
where: short stacking energy: -720.128
Base-Backbone interact. energy: -4.721
local terms energy: -682.425618
where:
bonds (distance) C4'-P energy: -116.021
bonds (distance) P-C4' energy: -122.203
flat angles C4'-P-C4' energy: -138.870
flat angles P-C4'-P energy: -101.925
tors. eta vs tors. theta energy: -203.407
Dist. restrs. and SS energy: 9.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2339.607571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.607571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.369573 (E_RNA)
where:
Base-Base interactions energy: -1655.733
where: short stacking energy: -693.000
Base-Backbone interact. energy: -5.424
local terms energy: -687.213009
where:
bonds (distance) C4'-P energy: -115.694
bonds (distance) P-C4' energy: -119.204
flat angles C4'-P-C4' energy: -152.043
flat angles P-C4'-P energy: -89.955
tors. eta vs tors. theta energy: -210.317
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: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2311.995910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.995910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.102685 (E_RNA)
where:
Base-Base interactions energy: -1674.612
where: short stacking energy: -673.379
Base-Backbone interact. energy: -4.099
local terms energy: -640.392264
where:
bonds (distance) C4'-P energy: -120.084
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -135.783
flat angles P-C4'-P energy: -74.998
tors. eta vs tors. theta energy: -199.956
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: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2222.237341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.237341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.642109 (E_RNA)
where:
Base-Base interactions energy: -1564.647
where: short stacking energy: -672.398
Base-Backbone interact. energy: -1.476
local terms energy: -668.518440
where:
bonds (distance) C4'-P energy: -124.287
bonds (distance) P-C4' energy: -128.503
flat angles C4'-P-C4' energy: -131.967
flat angles P-C4'-P energy: -93.959
tors. eta vs tors. theta energy: -189.802
Dist. restrs. and SS energy: 12.405 (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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -2104.801152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.801152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.039686 (E_RNA)
where:
Base-Base interactions energy: -1510.416
where: short stacking energy: -639.742
Base-Backbone interact. energy: 6.425
local terms energy: -617.049160
where:
bonds (distance) C4'-P energy: -100.828
bonds (distance) P-C4' energy: -118.273
flat angles C4'-P-C4' energy: -138.599
flat angles P-C4'-P energy: -80.717
tors. eta vs tors. theta energy: -178.632
Dist. restrs. and SS energy: 16.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1860.341463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.341463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.823882 (E_RNA)
where:
Base-Base interactions energy: -1369.562
where: short stacking energy: -532.439
Base-Backbone interact. energy: 4.636
local terms energy: -520.898047
where:
bonds (distance) C4'-P energy: -92.466
bonds (distance) P-C4' energy: -115.979
flat angles C4'-P-C4' energy: -123.875
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -132.886
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: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2764.908797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.908797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.207026 (E_RNA)
where:
Base-Base interactions energy: -1920.631
where: short stacking energy: -843.371
Base-Backbone interact. energy: 1.527
local terms energy: -848.103252
where:
bonds (distance) C4'-P energy: -149.901
bonds (distance) P-C4' energy: -145.013
flat angles C4'-P-C4' energy: -177.984
flat angles P-C4'-P energy: -129.018
tors. eta vs tors. theta energy: -246.188
Dist. restrs. and SS energy: 2.298 (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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2704.130202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.130202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.430988 (E_RNA)
where:
Base-Base interactions energy: -1882.787
where: short stacking energy: -815.470
Base-Backbone interact. energy: -2.362
local terms energy: -823.282151
where:
bonds (distance) C4'-P energy: -139.244
bonds (distance) P-C4' energy: -157.053
flat angles C4'-P-C4' energy: -159.969
flat angles P-C4'-P energy: -124.569
tors. eta vs tors. theta energy: -242.447
Dist. restrs. and SS energy: 4.301 (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: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2595.662194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.662194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.881194 (E_RNA)
where:
Base-Base interactions energy: -1808.853
where: short stacking energy: -771.354
Base-Backbone interact. energy: -5.024
local terms energy: -792.004536
where:
bonds (distance) C4'-P energy: -141.162
bonds (distance) P-C4' energy: -129.831
flat angles C4'-P-C4' energy: -172.245
flat angles P-C4'-P energy: -119.060
tors. eta vs tors. theta energy: -229.706
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: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2548.324376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.324376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.596753 (E_RNA)
where:
Base-Base interactions energy: -1763.585
where: short stacking energy: -759.334
Base-Backbone interact. energy: -3.782
local terms energy: -786.229567
where:
bonds (distance) C4'-P energy: -140.083
bonds (distance) P-C4' energy: -133.963
flat angles C4'-P-C4' energy: -174.616
flat angles P-C4'-P energy: -111.193
tors. eta vs tors. theta energy: -226.376
Dist. restrs. and SS energy: 5.272 (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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2404.222872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.222872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.874406 (E_RNA)
where:
Base-Base interactions energy: -1687.848
where: short stacking energy: -728.863
Base-Backbone interact. energy: -1.884
local terms energy: -723.142113
where:
bonds (distance) C4'-P energy: -137.131
bonds (distance) P-C4' energy: -118.495
flat angles C4'-P-C4' energy: -146.042
flat angles P-C4'-P energy: -110.692
tors. eta vs tors. theta energy: -210.781
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: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2356.074136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.074136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.558257 (E_RNA)
where:
Base-Base interactions energy: -1650.242
where: short stacking energy: -700.449
Base-Backbone interact. energy: -2.387
local terms energy: -710.929271
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -126.881
flat angles C4'-P-C4' energy: -137.439
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -210.905
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: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2286.370905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.370905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.099112 (E_RNA)
where:
Base-Base interactions energy: -1605.941
where: short stacking energy: -707.592
Base-Backbone interact. energy: -2.677
local terms energy: -692.480742
where:
bonds (distance) C4'-P energy: -124.861
bonds (distance) P-C4' energy: -119.945
flat angles C4'-P-C4' energy: -154.219
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -202.923
Dist. restrs. and SS energy: 14.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2224.033835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.033835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.369570 (E_RNA)
where:
Base-Base interactions energy: -1589.470
where: short stacking energy: -658.207
Base-Backbone interact. energy: -2.753
local terms energy: -646.146259
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -116.965
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -86.389
tors. eta vs tors. theta energy: -190.357
Dist. restrs. and SS energy: 14.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -2149.061704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.061704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.303993 (E_RNA)
where:
Base-Base interactions energy: -1516.797
where: short stacking energy: -649.617
Base-Backbone interact. energy: 1.347
local terms energy: -643.854105
where:
bonds (distance) C4'-P energy: -118.642
bonds (distance) P-C4' energy: -113.252
flat angles C4'-P-C4' energy: -139.980
flat angles P-C4'-P energy: -89.169
tors. eta vs tors. theta energy: -182.812
Dist. restrs. and SS energy: 10.242 (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: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1873.792470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.792470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.151133 (E_RNA)
where:
Base-Base interactions energy: -1297.716
where: short stacking energy: -527.544
Base-Backbone interact. energy: 1.586
local terms energy: -606.020770
where:
bonds (distance) C4'-P energy: -108.835
bonds (distance) P-C4' energy: -123.794
flat angles C4'-P-C4' energy: -144.312
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -148.088
Dist. restrs. and SS energy: 28.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2760.702046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.702046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.984852 (E_RNA)
where:
Base-Base interactions energy: -1907.321
where: short stacking energy: -807.694
Base-Backbone interact. energy: -1.884
local terms energy: -854.780095
where:
bonds (distance) C4'-P energy: -157.290
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -177.962
flat angles P-C4'-P energy: -126.184
tors. eta vs tors. theta energy: -245.729
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2705.893796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.893796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.369326 (E_RNA)
where:
Base-Base interactions energy: -1896.539
where: short stacking energy: -836.733
Base-Backbone interact. energy: 1.438
local terms energy: -814.268836
where:
bonds (distance) C4'-P energy: -140.297
bonds (distance) P-C4' energy: -133.502
flat angles C4'-P-C4' energy: -168.830
flat angles P-C4'-P energy: -119.545
tors. eta vs tors. theta energy: -252.095
Dist. restrs. and SS energy: 3.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2622.359825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.359825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.675448 (E_RNA)
where:
Base-Base interactions energy: -1830.755
where: short stacking energy: -765.096
Base-Backbone interact. energy: -2.462
local terms energy: -796.457786
where:
bonds (distance) C4'-P energy: -138.167
bonds (distance) P-C4' energy: -155.694
flat angles C4'-P-C4' energy: -174.614
flat angles P-C4'-P energy: -102.400
tors. eta vs tors. theta energy: -225.584
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: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2543.091114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.091114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.859384 (E_RNA)
where:
Base-Base interactions energy: -1778.740
where: short stacking energy: -766.901
Base-Backbone interact. energy: -1.294
local terms energy: -767.825018
where:
bonds (distance) C4'-P energy: -131.110
bonds (distance) P-C4' energy: -138.845
flat angles C4'-P-C4' energy: -163.001
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -237.015
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: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2425.460339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.460339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.839580 (E_RNA)
where:
Base-Base interactions energy: -1709.155
where: short stacking energy: -725.835
Base-Backbone interact. energy: 1.912
local terms energy: -728.595908
where:
bonds (distance) C4'-P energy: -114.053
bonds (distance) P-C4' energy: -124.080
flat angles C4'-P-C4' energy: -159.041
flat angles P-C4'-P energy: -115.439
tors. eta vs tors. theta energy: -215.983
Dist. restrs. and SS energy: 10.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2371.993196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.993196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.027661 (E_RNA)
where:
Base-Base interactions energy: -1704.172
where: short stacking energy: -713.118
Base-Backbone interact. energy: -1.681
local terms energy: -671.174695
where:
bonds (distance) C4'-P energy: -108.359
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -142.727
flat angles P-C4'-P energy: -95.135
tors. eta vs tors. theta energy: -209.771
Dist. restrs. and SS energy: 5.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2271.322257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.322257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.907891 (E_RNA)
where:
Base-Base interactions energy: -1605.231
where: short stacking energy: -664.671
Base-Backbone interact. energy: -3.443
local terms energy: -674.234577
where:
bonds (distance) C4'-P energy: -126.594
bonds (distance) P-C4' energy: -130.281
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -83.131
tors. eta vs tors. theta energy: -186.957
Dist. restrs. and SS energy: 11.586 (S_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: 310
Temperature: 1.250000
Total energy: -2221.720284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.720284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.248558 (E_RNA)
where:
Base-Base interactions energy: -1571.211
where: short stacking energy: -667.338
Base-Backbone interact. energy: -0.630
local terms energy: -662.408075
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -113.560
flat angles C4'-P-C4' energy: -153.433
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -195.416
Dist. restrs. and SS energy: 12.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -2122.084636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.084636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.326609 (E_RNA)
where:
Base-Base interactions energy: -1478.321
where: short stacking energy: -620.804
Base-Backbone interact. energy: 0.821
local terms energy: -657.826867
where:
bonds (distance) C4'-P energy: -136.967
bonds (distance) P-C4' energy: -121.819
flat angles C4'-P-C4' energy: -141.067
flat angles P-C4'-P energy: -72.941
tors. eta vs tors. theta energy: -185.033
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: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1914.494961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.494961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.638998 (E_RNA)
where:
Base-Base interactions energy: -1379.220
where: short stacking energy: -584.421
Base-Backbone interact. energy: -1.122
local terms energy: -569.297046
where:
bonds (distance) C4'-P energy: -91.133
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -125.534
flat angles P-C4'-P energy: -68.768
tors. eta vs tors. theta energy: -164.568
Dist. restrs. and SS energy: 35.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2767.063604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.063604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.736608 (E_RNA)
where:
Base-Base interactions energy: -1937.300
where: short stacking energy: -832.914
Base-Backbone interact. energy: -0.531
local terms energy: -832.906108
where:
bonds (distance) C4'-P energy: -144.351
bonds (distance) P-C4' energy: -146.933
flat angles C4'-P-C4' energy: -178.961
flat angles P-C4'-P energy: -118.767
tors. eta vs tors. theta energy: -243.894
Dist. restrs. and SS energy: 3.673 (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: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2685.498849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.498849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.233464 (E_RNA)
where:
Base-Base interactions energy: -1864.754
where: short stacking energy: -799.775
Base-Backbone interact. energy: -2.464
local terms energy: -822.015485
where:
bonds (distance) C4'-P energy: -145.558
bonds (distance) P-C4' energy: -140.187
flat angles C4'-P-C4' energy: -174.952
flat angles P-C4'-P energy: -113.545
tors. eta vs tors. theta energy: -247.773
Dist. restrs. and SS energy: 3.735 (S_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: 311
Temperature: 1.000000
Total energy: -2582.529938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.529938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.649279 (E_RNA)
where:
Base-Base interactions energy: -1828.892
where: short stacking energy: -775.372
Base-Backbone interact. energy: 1.251
local terms energy: -762.009046
where:
bonds (distance) C4'-P energy: -123.896
bonds (distance) P-C4' energy: -136.959
flat angles C4'-P-C4' energy: -166.391
flat angles P-C4'-P energy: -111.096
tors. eta vs tors. theta energy: -223.667
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2552.495972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.495972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.823578 (E_RNA)
where:
Base-Base interactions energy: -1800.125
where: short stacking energy: -762.216
Base-Backbone interact. energy: -1.120
local terms energy: -754.578417
where:
bonds (distance) C4'-P energy: -131.299
bonds (distance) P-C4' energy: -134.955
flat angles C4'-P-C4' energy: -164.924
flat angles P-C4'-P energy: -102.619
tors. eta vs tors. theta energy: -220.781
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2396.330459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.330459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.529037 (E_RNA)
where:
Base-Base interactions energy: -1677.067
where: short stacking energy: -714.036
Base-Backbone interact. energy: -2.422
local terms energy: -724.039869
where:
bonds (distance) C4'-P energy: -129.163
bonds (distance) P-C4' energy: -132.605
flat angles C4'-P-C4' energy: -152.140
flat angles P-C4'-P energy: -97.676
tors. eta vs tors. theta energy: -212.455
Dist. restrs. and SS energy: 7.199 (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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2327.899500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.899500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.332515 (E_RNA)
where:
Base-Base interactions energy: -1659.124
where: short stacking energy: -672.437
Base-Backbone interact. energy: -1.728
local terms energy: -673.480301
where:
bonds (distance) C4'-P energy: -128.002
bonds (distance) P-C4' energy: -123.436
flat angles C4'-P-C4' energy: -133.877
flat angles P-C4'-P energy: -95.162
tors. eta vs tors. theta energy: -193.003
Dist. restrs. and SS energy: 6.433 (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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2312.658778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.658778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.970075 (E_RNA)
where:
Base-Base interactions energy: -1629.530
where: short stacking energy: -696.630
Base-Backbone interact. energy: -0.122
local terms energy: -695.319019
where:
bonds (distance) C4'-P energy: -126.416
bonds (distance) P-C4' energy: -125.350
flat angles C4'-P-C4' energy: -144.676
flat angles P-C4'-P energy: -93.432
tors. eta vs tors. theta energy: -205.445
Dist. restrs. and SS energy: 12.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2257.892718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.892718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.230295 (E_RNA)
where:
Base-Base interactions energy: -1577.611
where: short stacking energy: -667.143
Base-Backbone interact. energy: -1.816
local terms energy: -684.803442
where:
bonds (distance) C4'-P energy: -113.818
bonds (distance) P-C4' energy: -112.247
flat angles C4'-P-C4' energy: -152.332
flat angles P-C4'-P energy: -111.075
tors. eta vs tors. theta energy: -195.331
Dist. restrs. and SS energy: 6.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -2149.849263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.849263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.829082 (E_RNA)
where:
Base-Base interactions energy: -1495.982
where: short stacking energy: -616.045
Base-Backbone interact. energy: 2.326
local terms energy: -663.173678
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -113.060
flat angles C4'-P-C4' energy: -144.349
flat angles P-C4'-P energy: -91.758
tors. eta vs tors. theta energy: -188.445
Dist. restrs. and SS energy: 6.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1906.113902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.113902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.887426 (E_RNA)
where:
Base-Base interactions energy: -1332.063
where: short stacking energy: -562.590
Base-Backbone interact. energy: -0.196
local terms energy: -602.628535
where:
bonds (distance) C4'-P energy: -101.527
bonds (distance) P-C4' energy: -126.378
flat angles C4'-P-C4' energy: -117.189
flat angles P-C4'-P energy: -84.777
tors. eta vs tors. theta energy: -172.757
Dist. restrs. and SS energy: 28.774 (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: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2775.603707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.603707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.857418 (E_RNA)
where:
Base-Base interactions energy: -1936.133
where: short stacking energy: -833.733
Base-Backbone interact. energy: -1.551
local terms energy: -844.172741
where:
bonds (distance) C4'-P energy: -140.260
bonds (distance) P-C4' energy: -152.216
flat angles C4'-P-C4' energy: -178.642
flat angles P-C4'-P energy: -119.258
tors. eta vs tors. theta energy: -253.797
Dist. restrs. and SS energy: 6.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2721.832542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.832542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.472295 (E_RNA)
where:
Base-Base interactions energy: -1915.002
where: short stacking energy: -818.678
Base-Backbone interact. energy: -1.155
local terms energy: -808.315193
where:
bonds (distance) C4'-P energy: -152.196
bonds (distance) P-C4' energy: -122.306
flat angles C4'-P-C4' energy: -168.900
flat angles P-C4'-P energy: -119.344
tors. eta vs tors. theta energy: -245.569
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2591.832637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.832637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.212915 (E_RNA)
where:
Base-Base interactions energy: -1809.054
where: short stacking energy: -764.511
Base-Backbone interact. energy: -0.585
local terms energy: -790.574554
where:
bonds (distance) C4'-P energy: -139.979
bonds (distance) P-C4' energy: -141.056
flat angles C4'-P-C4' energy: -171.617
flat angles P-C4'-P energy: -106.899
tors. eta vs tors. theta energy: -231.024
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: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2518.942588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.942588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.475658 (E_RNA)
where:
Base-Base interactions energy: -1755.507
where: short stacking energy: -739.627
Base-Backbone interact. energy: -2.872
local terms energy: -768.097128
where:
bonds (distance) C4'-P energy: -119.576
bonds (distance) P-C4' energy: -152.308
flat angles C4'-P-C4' energy: -150.008
flat angles P-C4'-P energy: -112.662
tors. eta vs tors. theta energy: -233.542
Dist. restrs. and SS energy: 7.533 (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: 312
Temperature: 1.100000
Total energy: -2409.343742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.343742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.307151 (E_RNA)
where:
Base-Base interactions energy: -1686.267
where: short stacking energy: -722.686
Base-Backbone interact. energy: 0.841
local terms energy: -728.881377
where:
bonds (distance) C4'-P energy: -135.799
bonds (distance) P-C4' energy: -111.758
flat angles C4'-P-C4' energy: -163.325
flat angles P-C4'-P energy: -93.802
tors. eta vs tors. theta energy: -224.196
Dist. restrs. and SS energy: 4.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2314.430265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.430265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.361578 (E_RNA)
where:
Base-Base interactions energy: -1666.848
where: short stacking energy: -699.078
Base-Backbone interact. energy: 1.412
local terms energy: -656.925051
where:
bonds (distance) C4'-P energy: -129.740
bonds (distance) P-C4' energy: -105.143
flat angles C4'-P-C4' energy: -120.461
flat angles P-C4'-P energy: -104.085
tors. eta vs tors. theta energy: -197.495
Dist. restrs. and SS energy: 7.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2264.817242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.817242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.601126 (E_RNA)
where:
Base-Base interactions energy: -1579.246
where: short stacking energy: -671.083
Base-Backbone interact. energy: -4.033
local terms energy: -691.321355
where:
bonds (distance) C4'-P energy: -123.647
bonds (distance) P-C4' energy: -135.224
flat angles C4'-P-C4' energy: -138.644
flat angles P-C4'-P energy: -98.385
tors. eta vs tors. theta energy: -195.421
Dist. restrs. and SS energy: 9.784 (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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2190.637802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.637802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.600130 (E_RNA)
where:
Base-Base interactions energy: -1526.287
where: short stacking energy: -640.502
Base-Backbone interact. energy: 4.703
local terms energy: -677.015867
where:
bonds (distance) C4'-P energy: -132.029
bonds (distance) P-C4' energy: -123.280
flat angles C4'-P-C4' energy: -137.303
flat angles P-C4'-P energy: -96.146
tors. eta vs tors. theta energy: -188.258
Dist. restrs. and SS energy: 7.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -2140.779811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.779811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.546123 (E_RNA)
where:
Base-Base interactions energy: -1501.866
where: short stacking energy: -624.750
Base-Backbone interact. energy: 2.329
local terms energy: -655.008605
where:
bonds (distance) C4'-P energy: -119.343
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -135.063
flat angles P-C4'-P energy: -88.471
tors. eta vs tors. theta energy: -184.443
Dist. restrs. and SS energy: 13.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1863.459264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.459264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.809597 (E_RNA)
where:
Base-Base interactions energy: -1336.285
where: short stacking energy: -545.871
Base-Backbone interact. energy: 0.861
local terms energy: -561.385093
where:
bonds (distance) C4'-P energy: -103.934
bonds (distance) P-C4' energy: -97.303
flat angles C4'-P-C4' energy: -122.609
flat angles P-C4'-P energy: -75.922
tors. eta vs tors. theta energy: -161.617
Dist. restrs. and SS energy: 33.350 (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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2784.602328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.602328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.608563 (E_RNA)
where:
Base-Base interactions energy: -1946.994
where: short stacking energy: -836.512
Base-Backbone interact. energy: -2.904
local terms energy: -837.710572
where:
bonds (distance) C4'-P energy: -137.189
bonds (distance) P-C4' energy: -143.352
flat angles C4'-P-C4' energy: -183.797
flat angles P-C4'-P energy: -119.504
tors. eta vs tors. theta energy: -253.869
Dist. restrs. and SS energy: 3.006 (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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2697.932704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.932704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.634086 (E_RNA)
where:
Base-Base interactions energy: -1874.227
where: short stacking energy: -804.984
Base-Backbone interact. energy: -0.212
local terms energy: -828.195200
where:
bonds (distance) C4'-P energy: -155.582
bonds (distance) P-C4' energy: -136.715
flat angles C4'-P-C4' energy: -159.823
flat angles P-C4'-P energy: -124.536
tors. eta vs tors. theta energy: -251.540
Dist. restrs. and SS energy: 4.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2608.242194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.242194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.137271 (E_RNA)
where:
Base-Base interactions energy: -1815.909
where: short stacking energy: -749.151
Base-Backbone interact. energy: -3.444
local terms energy: -795.784493
where:
bonds (distance) C4'-P energy: -136.491
bonds (distance) P-C4' energy: -152.188
flat angles C4'-P-C4' energy: -159.886
flat angles P-C4'-P energy: -121.684
tors. eta vs tors. theta energy: -225.536
Dist. restrs. and SS energy: 6.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2555.174416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.174416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.163668 (E_RNA)
where:
Base-Base interactions energy: -1811.195
where: short stacking energy: -755.325
Base-Backbone interact. energy: 1.111
local terms energy: -749.079182
where:
bonds (distance) C4'-P energy: -115.679
bonds (distance) P-C4' energy: -136.489
flat angles C4'-P-C4' energy: -157.286
flat angles P-C4'-P energy: -109.995
tors. eta vs tors. theta energy: -229.630
Dist. restrs. and SS energy: 3.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2407.935520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.935520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.809983 (E_RNA)
where:
Base-Base interactions energy: -1712.274
where: short stacking energy: -733.855
Base-Backbone interact. energy: -1.431
local terms energy: -698.105055
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -132.980
flat angles C4'-P-C4' energy: -163.253
flat angles P-C4'-P energy: -92.854
tors. eta vs tors. theta energy: -214.672
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: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2328.305939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.305939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.988235 (E_RNA)
where:
Base-Base interactions energy: -1670.375
where: short stacking energy: -715.454
Base-Backbone interact. energy: -3.094
local terms energy: -660.518868
where:
bonds (distance) C4'-P energy: -116.525
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -135.833
flat angles P-C4'-P energy: -73.179
tors. eta vs tors. theta energy: -221.440
Dist. restrs. and SS energy: 5.682 (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: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2273.736582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.736582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.321061 (E_RNA)
where:
Base-Base interactions energy: -1616.694
where: short stacking energy: -671.545
Base-Backbone interact. energy: 0.976
local terms energy: -665.603083
where:
bonds (distance) C4'-P energy: -112.369
bonds (distance) P-C4' energy: -132.457
flat angles C4'-P-C4' energy: -140.857
flat angles P-C4'-P energy: -89.697
tors. eta vs tors. theta energy: -190.224
Dist. restrs. and SS energy: 7.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2203.155470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.155470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.149087 (E_RNA)
where:
Base-Base interactions energy: -1572.840
where: short stacking energy: -637.920
Base-Backbone interact. energy: -0.663
local terms energy: -635.646481
where:
bonds (distance) C4'-P energy: -107.052
bonds (distance) P-C4' energy: -98.984
flat angles C4'-P-C4' energy: -155.796
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -184.535
Dist. restrs. and SS energy: 5.994 (S_DIST_RNA)
chem. 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: -2129.604109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.604109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.318430 (E_RNA)
where:
Base-Base interactions energy: -1492.111
where: short stacking energy: -643.404
Base-Backbone interact. energy: -0.079
local terms energy: -649.128241
where:
bonds (distance) C4'-P energy: -111.656
bonds (distance) P-C4' energy: -120.862
flat angles C4'-P-C4' energy: -146.137
flat angles P-C4'-P energy: -82.334
tors. eta vs tors. theta energy: -188.139
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1884.754017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.754017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.453461 (E_RNA)
where:
Base-Base interactions energy: -1330.260
where: short stacking energy: -572.357
Base-Backbone interact. energy: 3.680
local terms energy: -582.872842
where:
bonds (distance) C4'-P energy: -117.559
bonds (distance) P-C4' energy: -107.831
flat angles C4'-P-C4' energy: -111.753
flat angles P-C4'-P energy: -90.856
tors. eta vs tors. theta energy: -154.874
Dist. restrs. and SS energy: 24.699 (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: 314
Temperature: 0.900000
Total energy: -2773.726959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.726959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.727508 (E_RNA)
where:
Base-Base interactions energy: -1926.206
where: short stacking energy: -822.570
Base-Backbone interact. energy: -3.129
local terms energy: -848.392999
where:
bonds (distance) C4'-P energy: -154.844
bonds (distance) P-C4' energy: -142.365
flat angles C4'-P-C4' energy: -169.266
flat angles P-C4'-P energy: -126.021
tors. eta vs tors. theta energy: -255.896
Dist. restrs. and SS energy: 4.001 (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: 314
Temperature: 0.950000
Total energy: -2679.478789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.478789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.905873 (E_RNA)
where:
Base-Base interactions energy: -1865.656
where: short stacking energy: -811.321
Base-Backbone interact. energy: -5.256
local terms energy: -811.994552
where:
bonds (distance) C4'-P energy: -136.469
bonds (distance) P-C4' energy: -145.727
flat angles C4'-P-C4' energy: -168.215
flat angles P-C4'-P energy: -115.400
tors. eta vs tors. theta energy: -246.184
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: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2607.515667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.515667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.538347 (E_RNA)
where:
Base-Base interactions energy: -1837.187
where: short stacking energy: -746.674
Base-Backbone interact. energy: -3.124
local terms energy: -773.227766
where:
bonds (distance) C4'-P energy: -149.556
bonds (distance) P-C4' energy: -133.193
flat angles C4'-P-C4' energy: -156.588
flat angles P-C4'-P energy: -113.010
tors. eta vs tors. theta energy: -220.880
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: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2549.933700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.933700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.422078 (E_RNA)
where:
Base-Base interactions energy: -1808.119
where: short stacking energy: -757.171
Base-Backbone interact. energy: -3.248
local terms energy: -744.054131
where:
bonds (distance) C4'-P energy: -132.555
bonds (distance) P-C4' energy: -121.705
flat angles C4'-P-C4' energy: -163.167
flat angles P-C4'-P energy: -99.516
tors. eta vs tors. theta energy: -227.110
Dist. restrs. and SS energy: 5.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2405.558265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.558265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.057093 (E_RNA)
where:
Base-Base interactions energy: -1704.176
where: short stacking energy: -709.488
Base-Backbone interact. energy: -4.290
local terms energy: -701.590769
where:
bonds (distance) C4'-P energy: -120.103
bonds (distance) P-C4' energy: -120.047
flat angles C4'-P-C4' energy: -156.902
flat angles P-C4'-P energy: -97.067
tors. eta vs tors. theta energy: -207.472
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2300.328986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.328986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.139147 (E_RNA)
where:
Base-Base interactions energy: -1607.399
where: short stacking energy: -685.046
Base-Backbone interact. energy: -1.948
local terms energy: -698.792022
where:
bonds (distance) C4'-P energy: -118.384
bonds (distance) P-C4' energy: -140.027
flat angles C4'-P-C4' energy: -144.223
flat angles P-C4'-P energy: -92.696
tors. eta vs tors. theta energy: -203.462
Dist. restrs. and SS energy: 7.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2296.062236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.062236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.749577 (E_RNA)
where:
Base-Base interactions energy: -1616.211
where: short stacking energy: -676.312
Base-Backbone interact. energy: 1.681
local terms energy: -695.219016
where:
bonds (distance) C4'-P energy: -117.825
bonds (distance) P-C4' energy: -129.166
flat angles C4'-P-C4' energy: -151.521
flat angles P-C4'-P energy: -89.224
tors. eta vs tors. theta energy: -207.483
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: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2226.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.776099 (E_RNA)
where:
Base-Base interactions energy: -1567.792
where: short stacking energy: -649.450
Base-Backbone interact. energy: -1.466
local terms energy: -664.518205
where:
bonds (distance) C4'-P energy: -115.743
bonds (distance) P-C4' energy: -114.813
flat angles C4'-P-C4' energy: -134.475
flat angles P-C4'-P energy: -94.386
tors. eta vs tors. theta energy: -205.102
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -2112.596579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.596579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.867344 (E_RNA)
where:
Base-Base interactions energy: -1529.692
where: short stacking energy: -636.942
Base-Backbone interact. energy: -1.942
local terms energy: -592.233536
where:
bonds (distance) C4'-P energy: -98.776
bonds (distance) P-C4' energy: -90.064
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -78.523
tors. eta vs tors. theta energy: -198.594
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: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1877.015863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.015863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.279466 (E_RNA)
where:
Base-Base interactions energy: -1319.109
where: short stacking energy: -535.504
Base-Backbone interact. energy: 3.269
local terms energy: -584.439416
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -111.723
flat angles C4'-P-C4' energy: -123.591
flat angles P-C4'-P energy: -97.457
tors. eta vs tors. theta energy: -152.194
Dist. restrs. and SS energy: 23.264 (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: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2774.008596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.008596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.160281 (E_RNA)
where:
Base-Base interactions energy: -1953.598
where: short stacking energy: -808.394
Base-Backbone interact. energy: -2.953
local terms energy: -821.608648
where:
bonds (distance) C4'-P energy: -145.505
bonds (distance) P-C4' energy: -148.415
flat angles C4'-P-C4' energy: -171.741
flat angles P-C4'-P energy: -114.186
tors. eta vs tors. theta energy: -241.761
Dist. restrs. and SS energy: 4.152 (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: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2675.724202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.724202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.425638 (E_RNA)
where:
Base-Base interactions energy: -1860.648
where: short stacking energy: -782.303
Base-Backbone interact. energy: 1.770
local terms energy: -820.547507
where:
bonds (distance) C4'-P energy: -159.982
bonds (distance) P-C4' energy: -146.378
flat angles C4'-P-C4' energy: -159.539
flat angles P-C4'-P energy: -127.729
tors. eta vs tors. theta energy: -226.919
Dist. restrs. and SS energy: 3.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2625.792408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.792408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.961316 (E_RNA)
where:
Base-Base interactions energy: -1865.103
where: short stacking energy: -791.987
Base-Backbone interact. energy: -1.781
local terms energy: -766.078156
where:
bonds (distance) C4'-P energy: -114.962
bonds (distance) P-C4' energy: -143.682
flat angles C4'-P-C4' energy: -158.602
flat angles P-C4'-P energy: -116.061
tors. eta vs tors. theta energy: -232.771
Dist. restrs. and SS energy: 7.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2528.174969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.174969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.146278 (E_RNA)
where:
Base-Base interactions energy: -1776.213
where: short stacking energy: -752.832
Base-Backbone interact. energy: -1.819
local terms energy: -754.114545
where:
bonds (distance) C4'-P energy: -133.460
bonds (distance) P-C4' energy: -145.232
flat angles C4'-P-C4' energy: -142.269
flat angles P-C4'-P energy: -104.744
tors. eta vs tors. theta energy: -228.409
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: 315
Temperature: 1.100000
Total energy: -2417.438754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.438754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.954116 (E_RNA)
where:
Base-Base interactions energy: -1716.459
where: short stacking energy: -723.753
Base-Backbone interact. energy: -0.270
local terms energy: -709.225222
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -115.831
flat angles C4'-P-C4' energy: -158.808
flat angles P-C4'-P energy: -110.381
tors. eta vs tors. theta energy: -211.237
Dist. restrs. and SS energy: 8.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2361.679130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.679130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.117546 (E_RNA)
where:
Base-Base interactions energy: -1674.184
where: short stacking energy: -722.969
Base-Backbone interact. energy: 2.844
local terms energy: -700.777607
where:
bonds (distance) C4'-P energy: -124.197
bonds (distance) P-C4' energy: -130.731
flat angles C4'-P-C4' energy: -144.198
flat angles P-C4'-P energy: -91.704
tors. eta vs tors. theta energy: -209.948
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: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2263.875139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.875139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.313875 (E_RNA)
where:
Base-Base interactions energy: -1602.176
where: short stacking energy: -637.077
Base-Backbone interact. energy: -1.660
local terms energy: -665.477684
where:
bonds (distance) C4'-P energy: -127.857
bonds (distance) P-C4' energy: -116.807
flat angles C4'-P-C4' energy: -157.597
flat angles P-C4'-P energy: -82.356
tors. eta vs tors. theta energy: -180.860
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: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2236.753212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.753212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.916068 (E_RNA)
where:
Base-Base interactions energy: -1612.115
where: short stacking energy: -671.104
Base-Backbone interact. energy: 3.088
local terms energy: -634.888544
where:
bonds (distance) C4'-P energy: -90.664
bonds (distance) P-C4' energy: -109.350
flat angles C4'-P-C4' energy: -148.817
flat angles P-C4'-P energy: -92.231
tors. eta vs tors. theta energy: -193.826
Dist. restrs. and SS energy: 7.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -2120.870338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.870338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.894775 (E_RNA)
where:
Base-Base interactions energy: -1504.497
where: short stacking energy: -641.590
Base-Backbone interact. energy: -1.043
local terms energy: -626.354151
where:
bonds (distance) C4'-P energy: -111.001
bonds (distance) P-C4' energy: -113.171
flat angles C4'-P-C4' energy: -142.936
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -181.326
Dist. restrs. and SS energy: 11.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1875.382093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.382093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.906693 (E_RNA)
where:
Base-Base interactions energy: -1372.935
where: short stacking energy: -537.692
Base-Backbone interact. energy: 2.608
local terms energy: -518.579691
where:
bonds (distance) C4'-P energy: -88.532
bonds (distance) P-C4' energy: -97.131
flat angles C4'-P-C4' energy: -128.229
flat angles P-C4'-P energy: -67.481
tors. eta vs tors. theta energy: -137.206
Dist. restrs. and SS energy: 13.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2759.130896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.130896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.858660 (E_RNA)
where:
Base-Base interactions energy: -1920.610
where: short stacking energy: -806.062
Base-Backbone interact. energy: -2.160
local terms energy: -841.088560
where:
bonds (distance) C4'-P energy: -156.417
bonds (distance) P-C4' energy: -142.684
flat angles C4'-P-C4' energy: -174.972
flat angles P-C4'-P energy: -126.835
tors. eta vs tors. theta energy: -240.181
Dist. restrs. and SS energy: 4.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2658.126204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.126204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.594841 (E_RNA)
where:
Base-Base interactions energy: -1882.317
where: short stacking energy: -786.610
Base-Backbone interact. energy: -1.442
local terms energy: -778.835410
where:
bonds (distance) C4'-P energy: -147.826
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -159.878
flat angles P-C4'-P energy: -107.146
tors. eta vs tors. theta energy: -230.389
Dist. restrs. and SS energy: 4.469 (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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2631.103337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.103337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.942594 (E_RNA)
where:
Base-Base interactions energy: -1851.145
where: short stacking energy: -791.056
Base-Backbone interact. energy: -3.651
local terms energy: -782.146729
where:
bonds (distance) C4'-P energy: -131.769
bonds (distance) P-C4' energy: -135.973
flat angles C4'-P-C4' energy: -175.052
flat angles P-C4'-P energy: -113.013
tors. eta vs tors. theta energy: -226.339
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: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2522.690116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.690116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.816886 (E_RNA)
where:
Base-Base interactions energy: -1780.941
where: short stacking energy: -764.453
Base-Backbone interact. energy: -0.342
local terms energy: -746.534568
where:
bonds (distance) C4'-P energy: -133.886
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -154.836
flat angles P-C4'-P energy: -105.792
tors. eta vs tors. theta energy: -230.497
Dist. restrs. and SS energy: 5.127 (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: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2429.781511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.781511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.141888 (E_RNA)
where:
Base-Base interactions energy: -1704.324
where: short stacking energy: -712.154
Base-Backbone interact. energy: -2.650
local terms energy: -727.167348
where:
bonds (distance) C4'-P energy: -110.149
bonds (distance) P-C4' energy: -141.293
flat angles C4'-P-C4' energy: -167.423
flat angles P-C4'-P energy: -102.799
tors. eta vs tors. theta energy: -205.503
Dist. restrs. and SS energy: 4.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2384.078751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.078751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.247748 (E_RNA)
where:
Base-Base interactions energy: -1690.593
where: short stacking energy: -704.848
Base-Backbone interact. energy: -1.751
local terms energy: -697.904034
where:
bonds (distance) C4'-P energy: -122.345
bonds (distance) P-C4' energy: -129.669
flat angles C4'-P-C4' energy: -157.684
flat angles P-C4'-P energy: -83.246
tors. eta vs tors. theta energy: -204.960
Dist. restrs. and SS energy: 6.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2304.913952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.913952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.452831 (E_RNA)
where:
Base-Base interactions energy: -1644.616
where: short stacking energy: -678.357
Base-Backbone interact. energy: -0.520
local terms energy: -669.316868
where:
bonds (distance) C4'-P energy: -125.548
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -153.291
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -198.632
Dist. restrs. and SS energy: 9.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2235.577501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.577501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.156925 (E_RNA)
where:
Base-Base interactions energy: -1607.593
where: short stacking energy: -671.555
Base-Backbone interact. energy: 2.414
local terms energy: -639.978263
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -114.441
flat angles C4'-P-C4' energy: -142.512
flat angles P-C4'-P energy: -85.722
tors. eta vs tors. theta energy: -194.940
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: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -2154.552296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.552296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.156599 (E_RNA)
where:
Base-Base interactions energy: -1527.184
where: short stacking energy: -611.595
Base-Backbone interact. energy: -4.298
local terms energy: -630.673820
where:
bonds (distance) C4'-P energy: -109.618
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -148.755
flat angles P-C4'-P energy: -89.495
tors. eta vs tors. theta energy: -185.003
Dist. restrs. and SS energy: 7.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1903.238783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.238783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.958768 (E_RNA)
where:
Base-Base interactions energy: -1356.928
where: short stacking energy: -539.153
Base-Backbone interact. energy: -2.125
local terms energy: -572.906043
where:
bonds (distance) C4'-P energy: -103.301
bonds (distance) P-C4' energy: -106.698
flat angles C4'-P-C4' energy: -127.330
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -153.405
Dist. restrs. and SS energy: 28.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2783.281855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.281855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.760056 (E_RNA)
where:
Base-Base interactions energy: -1959.799
where: short stacking energy: -836.508
Base-Backbone interact. energy: 2.773
local terms energy: -830.734144
where:
bonds (distance) C4'-P energy: -152.070
bonds (distance) P-C4' energy: -141.979
flat angles C4'-P-C4' energy: -180.286
flat angles P-C4'-P energy: -118.709
tors. eta vs tors. theta energy: -237.689
Dist. restrs. and SS energy: 4.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2696.089184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.089184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.143305 (E_RNA)
where:
Base-Base interactions energy: -1873.585
where: short stacking energy: -816.229
Base-Backbone interact. energy: -0.384
local terms energy: -830.173539
where:
bonds (distance) C4'-P energy: -141.488
bonds (distance) P-C4' energy: -141.921
flat angles C4'-P-C4' energy: -177.906
flat angles P-C4'-P energy: -124.738
tors. eta vs tors. theta energy: -244.119
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: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2652.250534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.250534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.540421 (E_RNA)
where:
Base-Base interactions energy: -1855.063
where: short stacking energy: -785.907
Base-Backbone interact. energy: -4.803
local terms energy: -796.673989
where:
bonds (distance) C4'-P energy: -135.125
bonds (distance) P-C4' energy: -128.984
flat angles C4'-P-C4' energy: -164.423
flat angles P-C4'-P energy: -120.412
tors. eta vs tors. theta energy: -247.730
Dist. restrs. and SS energy: 4.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2516.203608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.203608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.612480 (E_RNA)
where:
Base-Base interactions energy: -1770.075
where: short stacking energy: -747.976
Base-Backbone interact. energy: -4.336
local terms energy: -748.201145
where:
bonds (distance) C4'-P energy: -122.425
bonds (distance) P-C4' energy: -137.179
flat angles C4'-P-C4' energy: -153.585
flat angles P-C4'-P energy: -113.058
tors. eta vs tors. theta energy: -221.953
Dist. restrs. and SS energy: 6.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2451.559530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.559530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.589915 (E_RNA)
where:
Base-Base interactions energy: -1733.547
where: short stacking energy: -740.926
Base-Backbone interact. energy: -1.989
local terms energy: -722.053947
where:
bonds (distance) C4'-P energy: -135.671
bonds (distance) P-C4' energy: -120.892
flat angles C4'-P-C4' energy: -143.990
flat angles P-C4'-P energy: -102.700
tors. eta vs tors. theta energy: -218.801
Dist. restrs. and SS energy: 6.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2327.212023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.212023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.714438 (E_RNA)
where:
Base-Base interactions energy: -1617.935
where: short stacking energy: -675.984
Base-Backbone interact. energy: -4.722
local terms energy: -715.057312
where:
bonds (distance) C4'-P energy: -115.622
bonds (distance) P-C4' energy: -132.922
flat angles C4'-P-C4' energy: -161.742
flat angles P-C4'-P energy: -94.071
tors. eta vs tors. theta energy: -210.700
Dist. restrs. and SS energy: 10.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2299.485196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.485196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.493344 (E_RNA)
where:
Base-Base interactions energy: -1618.013
where: short stacking energy: -678.347
Base-Backbone interact. energy: -1.863
local terms energy: -685.617172
where:
bonds (distance) C4'-P energy: -109.132
bonds (distance) P-C4' energy: -114.435
flat angles C4'-P-C4' energy: -154.742
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -202.546
Dist. restrs. and SS energy: 6.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2187.786933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.786933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.428306 (E_RNA)
where:
Base-Base interactions energy: -1544.835
where: short stacking energy: -620.553
Base-Backbone interact. energy: -4.760
local terms energy: -648.833667
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -125.543
flat angles C4'-P-C4' energy: -133.092
flat angles P-C4'-P energy: -86.834
tors. eta vs tors. theta energy: -183.514
Dist. restrs. and SS energy: 10.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -2163.583412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.583412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.427420 (E_RNA)
where:
Base-Base interactions energy: -1505.705
where: short stacking energy: -652.027
Base-Backbone interact. energy: 3.520
local terms energy: -675.242563
where:
bonds (distance) C4'-P energy: -136.484
bonds (distance) P-C4' energy: -132.314
flat angles C4'-P-C4' energy: -138.267
flat angles P-C4'-P energy: -85.044
tors. eta vs tors. theta energy: -183.133
Dist. restrs. and SS energy: 13.844 (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: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1835.783979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.783979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.285246 (E_RNA)
where:
Base-Base interactions energy: -1287.140
where: short stacking energy: -554.401
Base-Backbone interact. energy: -4.942
local terms energy: -568.202376
where:
bonds (distance) C4'-P energy: -110.115
bonds (distance) P-C4' energy: -119.902
flat angles C4'-P-C4' energy: -121.078
flat angles P-C4'-P energy: -60.719
tors. eta vs tors. theta energy: -156.388
Dist. restrs. and SS energy: 24.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2762.050295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.050295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.425837 (E_RNA)
where:
Base-Base interactions energy: -1955.156
where: short stacking energy: -831.096
Base-Backbone interact. energy: -0.068
local terms energy: -810.201981
where:
bonds (distance) C4'-P energy: -140.663
bonds (distance) P-C4' energy: -141.575
flat angles C4'-P-C4' energy: -170.937
flat angles P-C4'-P energy: -112.571
tors. eta vs tors. theta energy: -244.456
Dist. restrs. and SS energy: 3.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2671.886526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.886526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.535622 (E_RNA)
where:
Base-Base interactions energy: -1906.037
where: short stacking energy: -815.736
Base-Backbone interact. energy: -5.141
local terms energy: -764.356794
where:
bonds (distance) C4'-P energy: -133.627
bonds (distance) P-C4' energy: -138.133
flat angles C4'-P-C4' energy: -152.011
flat angles P-C4'-P energy: -103.352
tors. eta vs tors. theta energy: -237.233
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2625.381393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.381393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.241741 (E_RNA)
where:
Base-Base interactions energy: -1858.307
where: short stacking energy: -775.481
Base-Backbone interact. energy: -0.687
local terms energy: -773.248503
where:
bonds (distance) C4'-P energy: -131.941
bonds (distance) P-C4' energy: -142.294
flat angles C4'-P-C4' energy: -160.916
flat angles P-C4'-P energy: -99.228
tors. eta vs tors. theta energy: -238.869
Dist. restrs. and SS energy: 6.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2542.985433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.985433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.288051 (E_RNA)
where:
Base-Base interactions energy: -1803.331
where: short stacking energy: -752.819
Base-Backbone interact. energy: -3.688
local terms energy: -739.269432
where:
bonds (distance) C4'-P energy: -126.098
bonds (distance) P-C4' energy: -149.401
flat angles C4'-P-C4' energy: -145.594
flat angles P-C4'-P energy: -94.496
tors. eta vs tors. theta energy: -223.680
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2406.151868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.151868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.875313 (E_RNA)
where:
Base-Base interactions energy: -1673.560
where: short stacking energy: -705.486
Base-Backbone interact. energy: -2.142
local terms energy: -738.174043
where:
bonds (distance) C4'-P energy: -128.083
bonds (distance) P-C4' energy: -140.098
flat angles C4'-P-C4' energy: -160.172
flat angles P-C4'-P energy: -95.012
tors. eta vs tors. theta energy: -214.809
Dist. restrs. and SS energy: 7.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2377.238778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.238778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.839634 (E_RNA)
where:
Base-Base interactions energy: -1667.445
where: short stacking energy: -711.153
Base-Backbone interact. energy: 1.201
local terms energy: -716.595582
where:
bonds (distance) C4'-P energy: -125.609
bonds (distance) P-C4' energy: -131.450
flat angles C4'-P-C4' energy: -141.690
flat angles P-C4'-P energy: -111.239
tors. eta vs tors. theta energy: -206.607
Dist. restrs. and SS energy: 5.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2318.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.609117 (E_RNA)
where:
Base-Base interactions energy: -1637.271
where: short stacking energy: -688.760
Base-Backbone interact. energy: -4.506
local terms energy: -685.832234
where:
bonds (distance) C4'-P energy: -126.714
bonds (distance) P-C4' energy: -109.494
flat angles C4'-P-C4' energy: -144.380
flat angles P-C4'-P energy: -98.663
tors. eta vs tors. theta energy: -206.583
Dist. restrs. and SS energy: 8.901 (S_DIST_RNA)
chem. 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: -2225.711311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.711311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.566725 (E_RNA)
where:
Base-Base interactions energy: -1567.427
where: short stacking energy: -671.193
Base-Backbone interact. energy: 3.242
local terms energy: -672.381384
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -124.804
flat angles C4'-P-C4' energy: -146.734
flat angles P-C4'-P energy: -101.035
tors. eta vs tors. theta energy: -196.733
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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -2131.981521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.981521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.140531 (E_RNA)
where:
Base-Base interactions energy: -1508.297
where: short stacking energy: -604.642
Base-Backbone interact. energy: -2.985
local terms energy: -635.858816
where:
bonds (distance) C4'-P energy: -116.787
bonds (distance) P-C4' energy: -117.409
flat angles C4'-P-C4' energy: -138.827
flat angles P-C4'-P energy: -88.367
tors. eta vs tors. theta energy: -174.469
Dist. restrs. and SS energy: 15.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1904.501969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.501969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.726833 (E_RNA)
where:
Base-Base interactions energy: -1353.517
where: short stacking energy: -554.279
Base-Backbone interact. energy: -4.002
local terms energy: -574.207309
where:
bonds (distance) C4'-P energy: -112.603
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -126.536
flat angles P-C4'-P energy: -69.116
tors. eta vs tors. theta energy: -145.930
Dist. restrs. and SS energy: 27.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2755.969656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.969656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.334759 (E_RNA)
where:
Base-Base interactions energy: -1940.742
where: short stacking energy: -825.424
Base-Backbone interact. energy: 0.795
local terms energy: -819.387852
where:
bonds (distance) C4'-P energy: -136.239
bonds (distance) P-C4' energy: -139.383
flat angles C4'-P-C4' energy: -178.028
flat angles P-C4'-P energy: -123.961
tors. eta vs tors. theta energy: -241.778
Dist. restrs. and SS energy: 3.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2697.635656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.635656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.500842 (E_RNA)
where:
Base-Base interactions energy: -1894.290
where: short stacking energy: -796.221
Base-Backbone interact. energy: -2.552
local terms energy: -803.658804
where:
bonds (distance) C4'-P energy: -127.542
bonds (distance) P-C4' energy: -147.183
flat angles C4'-P-C4' energy: -181.044
flat angles P-C4'-P energy: -110.589
tors. eta vs tors. theta energy: -237.300
Dist. restrs. and SS energy: 2.865 (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: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2629.242721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.242721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.251133 (E_RNA)
where:
Base-Base interactions energy: -1851.597
where: short stacking energy: -795.767
Base-Backbone interact. energy: -1.274
local terms energy: -779.380952
where:
bonds (distance) C4'-P energy: -135.440
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -160.163
flat angles P-C4'-P energy: -118.733
tors. eta vs tors. theta energy: -238.269
Dist. restrs. and SS energy: 3.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2538.895860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.895860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.319801 (E_RNA)
where:
Base-Base interactions energy: -1783.082
where: short stacking energy: -733.939
Base-Backbone interact. energy: -0.103
local terms energy: -761.134919
where:
bonds (distance) C4'-P energy: -129.683
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -163.128
flat angles P-C4'-P energy: -108.672
tors. eta vs tors. theta energy: -225.079
Dist. restrs. and SS energy: 5.424 (S_DIST_RNA)
chem. 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: -2434.160716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.160716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.386234 (E_RNA)
where:
Base-Base interactions energy: -1727.853
where: short stacking energy: -718.807
Base-Backbone interact. energy: -3.209
local terms energy: -707.323912
where:
bonds (distance) C4'-P energy: -134.790
bonds (distance) P-C4' energy: -124.780
flat angles C4'-P-C4' energy: -149.032
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -202.715
Dist. restrs. and SS energy: 4.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2337.556317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.556317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.410528 (E_RNA)
where:
Base-Base interactions energy: -1645.091
where: short stacking energy: -679.996
Base-Backbone interact. energy: 5.991
local terms energy: -705.309856
where:
bonds (distance) C4'-P energy: -117.222
bonds (distance) P-C4' energy: -133.523
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -200.738
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: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2296.557124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.557124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.488247 (E_RNA)
where:
Base-Base interactions energy: -1619.271
where: short stacking energy: -706.841
Base-Backbone interact. energy: -2.121
local terms energy: -684.096934
where:
bonds (distance) C4'-P energy: -109.261
bonds (distance) P-C4' energy: -135.708
flat angles C4'-P-C4' energy: -143.818
flat angles P-C4'-P energy: -85.944
tors. eta vs tors. theta energy: -209.366
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: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2244.904693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.904693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.250005 (E_RNA)
where:
Base-Base interactions energy: -1589.369
where: short stacking energy: -655.866
Base-Backbone interact. energy: 0.148
local terms energy: -667.029245
where:
bonds (distance) C4'-P energy: -106.901
bonds (distance) P-C4' energy: -108.082
flat angles C4'-P-C4' energy: -147.967
flat angles P-C4'-P energy: -109.800
tors. eta vs tors. theta energy: -194.279
Dist. restrs. and SS energy: 11.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -2152.475118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.475118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.004308 (E_RNA)
where:
Base-Base interactions energy: -1556.315
where: short stacking energy: -656.374
Base-Backbone interact. energy: -0.721
local terms energy: -607.967783
where:
bonds (distance) C4'-P energy: -111.928
bonds (distance) P-C4' energy: -80.358
flat angles C4'-P-C4' energy: -132.075
flat angles P-C4'-P energy: -90.109
tors. eta vs tors. theta energy: -193.499
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: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1878.533850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.386678 (E_RNA)
where:
Base-Base interactions energy: -1318.932
where: short stacking energy: -576.082
Base-Backbone interact. energy: 0.441
local terms energy: -590.895320
where:
bonds (distance) C4'-P energy: -107.159
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -154.747
flat angles P-C4'-P energy: -72.443
tors. eta vs tors. theta energy: -152.790
Dist. restrs. and SS energy: 30.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2777.359177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.359177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.205634 (E_RNA)
where:
Base-Base interactions energy: -1953.132
where: short stacking energy: -847.365
Base-Backbone interact. energy: -1.537
local terms energy: -825.536522
where:
bonds (distance) C4'-P energy: -142.230
bonds (distance) P-C4' energy: -144.573
flat angles C4'-P-C4' energy: -176.678
flat angles P-C4'-P energy: -114.972
tors. eta vs tors. theta energy: -247.083
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2705.305610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.305610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.351457 (E_RNA)
where:
Base-Base interactions energy: -1890.236
where: short stacking energy: -789.687
Base-Backbone interact. energy: -4.326
local terms energy: -814.789010
where:
bonds (distance) C4'-P energy: -147.685
bonds (distance) P-C4' energy: -154.388
flat angles C4'-P-C4' energy: -167.362
flat angles P-C4'-P energy: -106.244
tors. eta vs tors. theta energy: -239.110
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: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2627.875273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.875273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.476722 (E_RNA)
where:
Base-Base interactions energy: -1866.354
where: short stacking energy: -781.006
Base-Backbone interact. energy: -1.611
local terms energy: -764.511225
where:
bonds (distance) C4'-P energy: -129.647
bonds (distance) P-C4' energy: -137.199
flat angles C4'-P-C4' energy: -161.486
flat angles P-C4'-P energy: -111.180
tors. eta vs tors. theta energy: -224.999
Dist. restrs. and SS energy: 4.601 (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: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2557.387883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.387883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.147260 (E_RNA)
where:
Base-Base interactions energy: -1799.286
where: short stacking energy: -756.607
Base-Backbone interact. energy: -2.264
local terms energy: -760.597150
where:
bonds (distance) C4'-P energy: -151.903
bonds (distance) P-C4' energy: -133.618
flat angles C4'-P-C4' energy: -157.381
flat angles P-C4'-P energy: -99.357
tors. eta vs tors. theta energy: -218.340
Dist. restrs. and SS energy: 4.759 (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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2502.186307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.186307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.824739 (E_RNA)
where:
Base-Base interactions energy: -1745.161
where: short stacking energy: -761.846
Base-Backbone interact. energy: -0.151
local terms energy: -764.512183
where:
bonds (distance) C4'-P energy: -130.949
bonds (distance) P-C4' energy: -131.314
flat angles C4'-P-C4' energy: -157.437
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -231.677
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: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2315.391310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.391310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.785041 (E_RNA)
where:
Base-Base interactions energy: -1649.441
where: short stacking energy: -720.010
Base-Backbone interact. energy: -3.902
local terms energy: -669.442178
where:
bonds (distance) C4'-P energy: -89.325
bonds (distance) P-C4' energy: -122.885
flat angles C4'-P-C4' energy: -145.785
flat angles P-C4'-P energy: -105.422
tors. eta vs tors. theta energy: -206.025
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: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2294.895585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.895585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.321600 (E_RNA)
where:
Base-Base interactions energy: -1620.622
where: short stacking energy: -678.257
Base-Backbone interact. energy: -1.679
local terms energy: -680.019787
where:
bonds (distance) C4'-P energy: -118.978
bonds (distance) P-C4' energy: -133.523
flat angles C4'-P-C4' energy: -142.075
flat angles P-C4'-P energy: -87.292
tors. eta vs tors. theta energy: -198.151
Dist. restrs. and SS energy: 7.426 (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: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2213.746007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.746007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.940526 (E_RNA)
where:
Base-Base interactions energy: -1565.326
where: short stacking energy: -658.087
Base-Backbone interact. energy: -0.635
local terms energy: -657.980044
where:
bonds (distance) C4'-P energy: -115.443
bonds (distance) P-C4' energy: -110.781
flat angles C4'-P-C4' energy: -147.930
flat angles P-C4'-P energy: -84.814
tors. eta vs tors. theta energy: -199.013
Dist. restrs. and SS energy: 10.195 (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: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -2110.915716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.915716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.130686 (E_RNA)
where:
Base-Base interactions energy: -1507.247
where: short stacking energy: -617.740
Base-Backbone interact. energy: -2.077
local terms energy: -607.806721
where:
bonds (distance) C4'-P energy: -119.372
bonds (distance) P-C4' energy: -102.979
flat angles C4'-P-C4' energy: -132.656
flat angles P-C4'-P energy: -70.338
tors. eta vs tors. theta energy: -182.461
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: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1876.551227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.551227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.334018 (E_RNA)
where:
Base-Base interactions energy: -1360.980
where: short stacking energy: -567.388
Base-Backbone interact. energy: 1.641
local terms energy: -542.995392
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -111.244
flat angles C4'-P-C4' energy: -128.413
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -154.080
Dist. restrs. and SS energy: 25.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2806.738959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.738959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.876874 (E_RNA)
where:
Base-Base interactions energy: -1951.206
where: short stacking energy: -850.303
Base-Backbone interact. energy: -0.557
local terms energy: -859.113660
where:
bonds (distance) C4'-P energy: -147.993
bonds (distance) P-C4' energy: -162.217
flat angles C4'-P-C4' energy: -174.203
flat angles P-C4'-P energy: -120.241
tors. eta vs tors. theta energy: -254.459
Dist. restrs. and SS energy: 4.138 (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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2674.166997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.166997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.312733 (E_RNA)
where:
Base-Base interactions energy: -1860.501
where: short stacking energy: -808.995
Base-Backbone interact. energy: -2.901
local terms energy: -815.910219
where:
bonds (distance) C4'-P energy: -128.133
bonds (distance) P-C4' energy: -137.316
flat angles C4'-P-C4' energy: -176.641
flat angles P-C4'-P energy: -118.966
tors. eta vs tors. theta energy: -254.854
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2622.245033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.245033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.558121 (E_RNA)
where:
Base-Base interactions energy: -1869.575
where: short stacking energy: -760.954
Base-Backbone interact. energy: -2.806
local terms energy: -753.176912
where:
bonds (distance) C4'-P energy: -128.651
bonds (distance) P-C4' energy: -146.435
flat angles C4'-P-C4' energy: -156.986
flat angles P-C4'-P energy: -101.857
tors. eta vs tors. theta energy: -219.247
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: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2573.340003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.340003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.306116 (E_RNA)
where:
Base-Base interactions energy: -1802.311
where: short stacking energy: -777.114
Base-Backbone interact. energy: -2.030
local terms energy: -772.965565
where:
bonds (distance) C4'-P energy: -140.190
bonds (distance) P-C4' energy: -150.203
flat angles C4'-P-C4' energy: -160.547
flat angles P-C4'-P energy: -98.015
tors. eta vs tors. theta energy: -224.011
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2418.693985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.693985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.030638 (E_RNA)
where:
Base-Base interactions energy: -1741.376
where: short stacking energy: -748.597
Base-Backbone interact. energy: -0.480
local terms energy: -685.175255
where:
bonds (distance) C4'-P energy: -135.697
bonds (distance) P-C4' energy: -111.152
flat angles C4'-P-C4' energy: -150.376
flat angles P-C4'-P energy: -81.513
tors. eta vs tors. theta energy: -206.436
Dist. restrs. and SS energy: 8.337 (S_DIST_RNA)
chem. 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: -2353.933327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.933327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.542037 (E_RNA)
where:
Base-Base interactions energy: -1638.398
where: short stacking energy: -679.833
Base-Backbone interact. energy: -1.510
local terms energy: -723.633652
where:
bonds (distance) C4'-P energy: -130.412
bonds (distance) P-C4' energy: -129.143
flat angles C4'-P-C4' energy: -151.235
flat angles P-C4'-P energy: -102.283
tors. eta vs tors. theta energy: -210.561
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: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2297.675280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.675280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.529772 (E_RNA)
where:
Base-Base interactions energy: -1614.971
where: short stacking energy: -680.257
Base-Backbone interact. energy: -1.093
local terms energy: -686.465015
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -163.685
flat angles P-C4'-P energy: -98.164
tors. eta vs tors. theta energy: -200.179
Dist. restrs. and SS energy: 4.854 (S_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: 321
Temperature: 1.250000
Total energy: -2209.444575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.444575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.620490 (E_RNA)
where:
Base-Base interactions energy: -1561.170
where: short stacking energy: -647.237
Base-Backbone interact. energy: -2.725
local terms energy: -654.725587
where:
bonds (distance) C4'-P energy: -126.759
bonds (distance) P-C4' energy: -114.036
flat angles C4'-P-C4' energy: -129.105
flat angles P-C4'-P energy: -100.876
tors. eta vs tors. theta energy: -183.950
Dist. restrs. and SS energy: 9.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -2157.321539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.321539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.392454 (E_RNA)
where:
Base-Base interactions energy: -1549.195
where: short stacking energy: -654.969
Base-Backbone interact. energy: 1.602
local terms energy: -622.799390
where:
bonds (distance) C4'-P energy: -100.142
bonds (distance) P-C4' energy: -127.795
flat angles C4'-P-C4' energy: -146.540
flat angles P-C4'-P energy: -66.047
tors. eta vs tors. theta energy: -182.276
Dist. restrs. and SS energy: 13.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1882.929693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.929693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.663750 (E_RNA)
where:
Base-Base interactions energy: -1344.218
where: short stacking energy: -563.647
Base-Backbone interact. energy: 1.509
local terms energy: -564.954779
where:
bonds (distance) C4'-P energy: -111.123
bonds (distance) P-C4' energy: -109.108
flat angles C4'-P-C4' energy: -122.010
flat angles P-C4'-P energy: -73.540
tors. eta vs tors. theta energy: -149.174
Dist. restrs. and SS energy: 24.734 (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: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2778.813258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.813258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.273230 (E_RNA)
where:
Base-Base interactions energy: -1925.532
where: short stacking energy: -823.655
Base-Backbone interact. energy: -2.126
local terms energy: -855.615142
where:
bonds (distance) C4'-P energy: -160.835
bonds (distance) P-C4' energy: -151.852
flat angles C4'-P-C4' energy: -179.167
flat angles P-C4'-P energy: -127.982
tors. eta vs tors. theta energy: -235.779
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: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2712.623892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.623892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.046859 (E_RNA)
where:
Base-Base interactions energy: -1916.520
where: short stacking energy: -842.521
Base-Backbone interact. energy: -1.183
local terms energy: -800.344276
where:
bonds (distance) C4'-P energy: -130.245
bonds (distance) P-C4' energy: -143.600
flat angles C4'-P-C4' energy: -169.862
flat angles P-C4'-P energy: -106.912
tors. eta vs tors. theta energy: -249.725
Dist. restrs. and SS energy: 5.423 (S_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: 322
Temperature: 1.000000
Total energy: -2647.113303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.113303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.348493 (E_RNA)
where:
Base-Base interactions energy: -1821.743
where: short stacking energy: -756.654
Base-Backbone interact. energy: -6.216
local terms energy: -822.389348
where:
bonds (distance) C4'-P energy: -148.967
bonds (distance) P-C4' energy: -142.385
flat angles C4'-P-C4' energy: -168.237
flat angles P-C4'-P energy: -127.266
tors. eta vs tors. theta energy: -235.534
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2548.872227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.872227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.962707 (E_RNA)
where:
Base-Base interactions energy: -1807.068
where: short stacking energy: -771.420
Base-Backbone interact. energy: -2.920
local terms energy: -743.974185
where:
bonds (distance) C4'-P energy: -134.465
bonds (distance) P-C4' energy: -131.567
flat angles C4'-P-C4' energy: -158.207
flat angles P-C4'-P energy: -106.200
tors. eta vs tors. theta energy: -213.535
Dist. restrs. and SS energy: 5.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2497.074289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.074289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.990853 (E_RNA)
where:
Base-Base interactions energy: -1750.462
where: short stacking energy: -756.052
Base-Backbone interact. energy: -5.091
local terms energy: -749.438286
where:
bonds (distance) C4'-P energy: -126.720
bonds (distance) P-C4' energy: -147.594
flat angles C4'-P-C4' energy: -148.004
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -220.809
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: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2381.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.420082 (E_RNA)
where:
Base-Base interactions energy: -1668.366
where: short stacking energy: -689.033
Base-Backbone interact. energy: -3.270
local terms energy: -718.783871
where:
bonds (distance) C4'-P energy: -116.836
bonds (distance) P-C4' energy: -128.470
flat angles C4'-P-C4' energy: -144.400
flat angles P-C4'-P energy: -113.562
tors. eta vs tors. theta energy: -215.516
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: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2271.086791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.086791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.873422 (E_RNA)
where:
Base-Base interactions energy: -1637.589
where: short stacking energy: -672.025
Base-Backbone interact. energy: 1.635
local terms energy: -646.919414
where:
bonds (distance) C4'-P energy: -112.718
bonds (distance) P-C4' energy: -125.332
flat angles C4'-P-C4' energy: -138.838
flat angles P-C4'-P energy: -80.014
tors. eta vs tors. theta energy: -190.018
Dist. restrs. and SS energy: 11.787 (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: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2207.299063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.299063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.719657 (E_RNA)
where:
Base-Base interactions energy: -1577.027
where: short stacking energy: -643.458
Base-Backbone interact. energy: -3.471
local terms energy: -636.221577
where:
bonds (distance) C4'-P energy: -100.397
bonds (distance) P-C4' energy: -114.323
flat angles C4'-P-C4' energy: -149.706
flat angles P-C4'-P energy: -93.174
tors. eta vs tors. theta energy: -178.621
Dist. restrs. and SS energy: 9.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -2100.166623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.166623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.392636 (E_RNA)
where:
Base-Base interactions energy: -1474.374
where: short stacking energy: -623.533
Base-Backbone interact. energy: 3.372
local terms energy: -639.390926
where:
bonds (distance) C4'-P energy: -122.666
bonds (distance) P-C4' energy: -110.917
flat angles C4'-P-C4' energy: -134.296
flat angles P-C4'-P energy: -91.827
tors. eta vs tors. theta energy: -179.685
Dist. restrs. and SS energy: 10.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1824.578894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.578894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.659827 (E_RNA)
where:
Base-Base interactions energy: -1279.816
where: short stacking energy: -541.011
Base-Backbone interact. energy: 3.675
local terms energy: -579.519150
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -119.863
flat angles C4'-P-C4' energy: -141.745
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -145.461
Dist. restrs. and SS energy: 31.081 (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: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2762.490299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.490299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.987092 (E_RNA)
where:
Base-Base interactions energy: -1935.251
where: short stacking energy: -808.875
Base-Backbone interact. energy: -2.067
local terms energy: -828.668936
where:
bonds (distance) C4'-P energy: -143.240
bonds (distance) P-C4' energy: -145.104
flat angles C4'-P-C4' energy: -176.860
flat angles P-C4'-P energy: -115.331
tors. eta vs tors. theta energy: -248.134
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2717.626754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.626754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.487751 (E_RNA)
where:
Base-Base interactions energy: -1889.657
where: short stacking energy: -828.062
Base-Backbone interact. energy: -1.690
local terms energy: -831.141007
where:
bonds (distance) C4'-P energy: -151.561
bonds (distance) P-C4' energy: -145.263
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -112.885
tors. eta vs tors. theta energy: -251.286
Dist. restrs. and SS energy: 4.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2632.162799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.162799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.379848 (E_RNA)
where:
Base-Base interactions energy: -1832.430
where: short stacking energy: -794.679
Base-Backbone interact. energy: -1.969
local terms energy: -801.980987
where:
bonds (distance) C4'-P energy: -135.892
bonds (distance) P-C4' energy: -144.013
flat angles C4'-P-C4' energy: -171.635
flat angles P-C4'-P energy: -109.267
tors. eta vs tors. theta energy: -241.174
Dist. restrs. and SS energy: 4.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2553.327607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.327607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.845994 (E_RNA)
where:
Base-Base interactions energy: -1780.843
where: short stacking energy: -760.493
Base-Backbone interact. energy: -2.313
local terms energy: -776.689244
where:
bonds (distance) C4'-P energy: -122.328
bonds (distance) P-C4' energy: -148.125
flat angles C4'-P-C4' energy: -156.757
flat angles P-C4'-P energy: -122.719
tors. eta vs tors. theta energy: -226.761
Dist. restrs. and SS energy: 6.518 (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: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2449.307564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.307564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.297466 (E_RNA)
where:
Base-Base interactions energy: -1731.282
where: short stacking energy: -703.657
Base-Backbone interact. energy: 0.038
local terms energy: -725.053869
where:
bonds (distance) C4'-P energy: -140.033
bonds (distance) P-C4' energy: -132.004
flat angles C4'-P-C4' energy: -149.488
flat angles P-C4'-P energy: -94.390
tors. eta vs tors. theta energy: -209.138
Dist. restrs. and SS energy: 6.990 (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: 323
Temperature: 1.150000
Total energy: -2367.485339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.485339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.704104 (E_RNA)
where:
Base-Base interactions energy: -1667.382
where: short stacking energy: -683.941
Base-Backbone interact. energy: -0.954
local terms energy: -708.368301
where:
bonds (distance) C4'-P energy: -104.823
bonds (distance) P-C4' energy: -140.567
flat angles C4'-P-C4' energy: -148.411
flat angles P-C4'-P energy: -98.815
tors. eta vs tors. theta energy: -215.751
Dist. restrs. and SS energy: 9.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2288.245283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.245283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.128987 (E_RNA)
where:
Base-Base interactions energy: -1619.020
where: short stacking energy: -649.043
Base-Backbone interact. energy: -1.373
local terms energy: -677.736293
where:
bonds (distance) C4'-P energy: -122.462
bonds (distance) P-C4' energy: -132.303
flat angles C4'-P-C4' energy: -139.932
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -190.735
Dist. restrs. and SS energy: 9.884 (S_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: 323
Temperature: 1.250000
Total energy: -2243.254825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.254825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.189626 (E_RNA)
where:
Base-Base interactions energy: -1605.692
where: short stacking energy: -657.394
Base-Backbone interact. energy: 1.340
local terms energy: -645.837994
where:
bonds (distance) C4'-P energy: -121.323
bonds (distance) P-C4' energy: -135.687
flat angles C4'-P-C4' energy: -129.447
flat angles P-C4'-P energy: -72.238
tors. eta vs tors. theta energy: -187.144
Dist. restrs. and SS energy: 6.935 (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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -2124.025902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.025902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.032575 (E_RNA)
where:
Base-Base interactions energy: -1526.205
where: short stacking energy: -608.964
Base-Backbone interact. energy: 0.509
local terms energy: -605.336059
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -126.700
flat angles P-C4'-P energy: -80.203
tors. eta vs tors. theta energy: -186.999
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1851.969261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.969261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.400941 (E_RNA)
where:
Base-Base interactions energy: -1310.897
where: short stacking energy: -549.529
Base-Backbone interact. energy: -0.678
local terms energy: -562.826254
where:
bonds (distance) C4'-P energy: -96.128
bonds (distance) P-C4' energy: -99.721
flat angles C4'-P-C4' energy: -133.183
flat angles P-C4'-P energy: -85.824
tors. eta vs tors. theta energy: -147.970
Dist. restrs. and SS energy: 22.432 (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: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2739.865707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.865707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.654763 (E_RNA)
where:
Base-Base interactions energy: -1931.469
where: short stacking energy: -798.105
Base-Backbone interact. energy: 0.385
local terms energy: -811.570626
where:
bonds (distance) C4'-P energy: -132.042
bonds (distance) P-C4' energy: -145.103
flat angles C4'-P-C4' energy: -179.582
flat angles P-C4'-P energy: -115.771
tors. eta vs tors. theta energy: -239.074
Dist. restrs. and SS energy: 2.789 (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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2683.149143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.149143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.077683 (E_RNA)
where:
Base-Base interactions energy: -1863.756
where: short stacking energy: -816.008
Base-Backbone interact. energy: -2.802
local terms energy: -823.519606
where:
bonds (distance) C4'-P energy: -135.043
bonds (distance) P-C4' energy: -150.326
flat angles C4'-P-C4' energy: -166.355
flat angles P-C4'-P energy: -119.266
tors. eta vs tors. theta energy: -252.529
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2683.142374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.142374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.106261 (E_RNA)
where:
Base-Base interactions energy: -1918.368
where: short stacking energy: -825.344
Base-Backbone interact. energy: -0.535
local terms energy: -768.202616
where:
bonds (distance) C4'-P energy: -138.526
bonds (distance) P-C4' energy: -123.820
flat angles C4'-P-C4' energy: -154.221
flat angles P-C4'-P energy: -110.651
tors. eta vs tors. theta energy: -240.984
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2583.211976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.211976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.824941 (E_RNA)
where:
Base-Base interactions energy: -1811.765
where: short stacking energy: -779.268
Base-Backbone interact. energy: 5.098
local terms energy: -780.157846
where:
bonds (distance) C4'-P energy: -140.793
bonds (distance) P-C4' energy: -126.955
flat angles C4'-P-C4' energy: -167.799
flat angles P-C4'-P energy: -108.078
tors. eta vs tors. theta energy: -236.533
Dist. restrs. and SS energy: 3.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2495.688226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.688226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.951044 (E_RNA)
where:
Base-Base interactions energy: -1775.498
where: short stacking energy: -735.152
Base-Backbone interact. energy: -0.340
local terms energy: -723.113490
where:
bonds (distance) C4'-P energy: -124.626
bonds (distance) P-C4' energy: -126.169
flat angles C4'-P-C4' energy: -163.743
flat angles P-C4'-P energy: -95.509
tors. eta vs tors. theta energy: -213.067
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2397.257834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.257834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.156400 (E_RNA)
where:
Base-Base interactions energy: -1702.706
where: short stacking energy: -717.697
Base-Backbone interact. energy: -5.498
local terms energy: -695.952225
where:
bonds (distance) C4'-P energy: -108.966
bonds (distance) P-C4' energy: -112.535
flat angles C4'-P-C4' energy: -170.875
flat angles P-C4'-P energy: -92.571
tors. eta vs tors. theta energy: -211.004
Dist. restrs. and SS energy: 6.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2302.198627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.198627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.243830 (E_RNA)
where:
Base-Base interactions energy: -1613.507
where: short stacking energy: -656.945
Base-Backbone interact. energy: -3.325
local terms energy: -693.412108
where:
bonds (distance) C4'-P energy: -122.108
bonds (distance) P-C4' energy: -130.211
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -98.758
tors. eta vs tors. theta energy: -199.443
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: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2196.077018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.077018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.773073 (E_RNA)
where:
Base-Base interactions energy: -1562.577
where: short stacking energy: -649.619
Base-Backbone interact. energy: -1.590
local terms energy: -642.605824
where:
bonds (distance) C4'-P energy: -127.021
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -133.955
flat angles P-C4'-P energy: -95.008
tors. eta vs tors. theta energy: -192.292
Dist. restrs. and SS energy: 10.696 (S_DIST_RNA)
chem. 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: -2087.459776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.459776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.058026 (E_RNA)
where:
Base-Base interactions energy: -1503.989
where: short stacking energy: -619.904
Base-Backbone interact. energy: 1.432
local terms energy: -597.501086
where:
bonds (distance) C4'-P energy: -107.841
bonds (distance) P-C4' energy: -105.861
flat angles C4'-P-C4' energy: -128.398
flat angles P-C4'-P energy: -81.312
tors. eta vs tors. theta energy: -174.089
Dist. restrs. and SS energy: 12.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1817.051321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.051321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.313404 (E_RNA)
where:
Base-Base interactions energy: -1298.645
where: short stacking energy: -526.182
Base-Backbone interact. energy: -3.158
local terms energy: -553.510774
where:
bonds (distance) C4'-P energy: -116.292
bonds (distance) P-C4' energy: -126.602
flat angles C4'-P-C4' energy: -113.806
flat angles P-C4'-P energy: -63.872
tors. eta vs tors. theta energy: -132.938
Dist. restrs. and SS energy: 38.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2762.791212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.791212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.307952 (E_RNA)
where:
Base-Base interactions energy: -1932.054
where: short stacking energy: -836.663
Base-Backbone interact. energy: -1.858
local terms energy: -831.396914
where:
bonds (distance) C4'-P energy: -148.381
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -170.112
flat angles P-C4'-P energy: -126.776
tors. eta vs tors. theta energy: -243.702
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2679.936154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.936154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.530182 (E_RNA)
where:
Base-Base interactions energy: -1873.703
where: short stacking energy: -787.792
Base-Backbone interact. energy: -2.709
local terms energy: -810.118205
where:
bonds (distance) C4'-P energy: -137.400
bonds (distance) P-C4' energy: -135.805
flat angles C4'-P-C4' energy: -175.985
flat angles P-C4'-P energy: -115.643
tors. eta vs tors. theta energy: -245.286
Dist. restrs. and SS energy: 6.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2618.144547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.144547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.033517 (E_RNA)
where:
Base-Base interactions energy: -1853.178
where: short stacking energy: -772.366
Base-Backbone interact. energy: 0.943
local terms energy: -770.798051
where:
bonds (distance) C4'-P energy: -137.372
bonds (distance) P-C4' energy: -137.850
flat angles C4'-P-C4' energy: -163.902
flat angles P-C4'-P energy: -98.418
tors. eta vs tors. theta energy: -233.256
Dist. restrs. and SS energy: 4.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2557.076762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.076762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.898270 (E_RNA)
where:
Base-Base interactions energy: -1803.571
where: short stacking energy: -761.071
Base-Backbone interact. energy: -1.645
local terms energy: -755.681588
where:
bonds (distance) C4'-P energy: -123.949
bonds (distance) P-C4' energy: -144.780
flat angles C4'-P-C4' energy: -165.128
flat angles P-C4'-P energy: -94.009
tors. eta vs tors. theta energy: -227.816
Dist. restrs. and SS energy: 3.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2452.263929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.263929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.138952 (E_RNA)
where:
Base-Base interactions energy: -1728.369
where: short stacking energy: -717.194
Base-Backbone interact. energy: 1.826
local terms energy: -732.596204
where:
bonds (distance) C4'-P energy: -115.379
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -166.639
flat angles P-C4'-P energy: -102.177
tors. eta vs tors. theta energy: -211.282
Dist. restrs. and SS energy: 6.875 (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: 325
Temperature: 1.150000
Total energy: -2348.678399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.785784 (E_RNA)
where:
Base-Base interactions energy: -1647.234
where: short stacking energy: -673.091
Base-Backbone interact. energy: 2.861
local terms energy: -714.412255
where:
bonds (distance) C4'-P energy: -128.593
bonds (distance) P-C4' energy: -126.878
flat angles C4'-P-C4' energy: -149.859
flat angles P-C4'-P energy: -104.645
tors. eta vs tors. theta energy: -204.438
Dist. restrs. and SS energy: 10.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2266.917781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.917781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.454739 (E_RNA)
where:
Base-Base interactions energy: -1584.777
where: short stacking energy: -661.425
Base-Backbone interact. energy: -2.326
local terms energy: -688.351918
where:
bonds (distance) C4'-P energy: -118.379
bonds (distance) P-C4' energy: -137.341
flat angles C4'-P-C4' energy: -142.919
flat angles P-C4'-P energy: -85.660
tors. eta vs tors. theta energy: -204.053
Dist. restrs. and SS energy: 8.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2200.719669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.719669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.580644 (E_RNA)
where:
Base-Base interactions energy: -1548.026
where: short stacking energy: -638.821
Base-Backbone interact. energy: -0.186
local terms energy: -661.368790
where:
bonds (distance) C4'-P energy: -116.089
bonds (distance) P-C4' energy: -108.761
flat angles C4'-P-C4' energy: -145.883
flat angles P-C4'-P energy: -103.760
tors. eta vs tors. theta energy: -186.876
Dist. restrs. and SS energy: 8.861 (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: 325
Temperature: 1.300000
Total energy: -2140.191447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.191447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.332196 (E_RNA)
where:
Base-Base interactions energy: -1521.765
where: short stacking energy: -622.320
Base-Backbone interact. energy: -2.416
local terms energy: -629.151578
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -131.772
flat angles C4'-P-C4' energy: -151.459
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -176.532
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: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1869.758402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.758402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.365999 (E_RNA)
where:
Base-Base interactions energy: -1340.262
where: short stacking energy: -535.634
Base-Backbone interact. energy: -0.873
local terms energy: -546.231314
where:
bonds (distance) C4'-P energy: -84.474
bonds (distance) P-C4' energy: -127.043
flat angles C4'-P-C4' energy: -125.221
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -141.442
Dist. restrs. and SS energy: 17.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2753.986438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.986438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.441427 (E_RNA)
where:
Base-Base interactions energy: -1941.714
where: short stacking energy: -833.229
Base-Backbone interact. energy: -0.709
local terms energy: -814.017601
where:
bonds (distance) C4'-P energy: -132.246
bonds (distance) P-C4' energy: -156.261
flat angles C4'-P-C4' energy: -174.977
flat angles P-C4'-P energy: -109.035
tors. eta vs tors. theta energy: -241.499
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2679.213534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.213534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.572650 (E_RNA)
where:
Base-Base interactions energy: -1861.263
where: short stacking energy: -762.140
Base-Backbone interact. energy: -2.039
local terms energy: -823.270719
where:
bonds (distance) C4'-P energy: -146.664
bonds (distance) P-C4' energy: -149.597
flat angles C4'-P-C4' energy: -167.590
flat angles P-C4'-P energy: -114.395
tors. eta vs tors. theta energy: -245.024
Dist. restrs. and SS energy: 7.359 (S_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: 326
Temperature: 1.000000
Total energy: -2609.198831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.198831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.103120 (E_RNA)
where:
Base-Base interactions energy: -1848.936
where: short stacking energy: -782.557
Base-Backbone interact. energy: -2.490
local terms energy: -761.677958
where:
bonds (distance) C4'-P energy: -128.085
bonds (distance) P-C4' energy: -132.249
flat angles C4'-P-C4' energy: -162.664
flat angles P-C4'-P energy: -105.879
tors. eta vs tors. theta energy: -232.801
Dist. restrs. and SS energy: 3.904 (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: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2575.393035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.393035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.763463 (E_RNA)
where:
Base-Base interactions energy: -1792.761
where: short stacking energy: -765.753
Base-Backbone interact. energy: -3.773
local terms energy: -782.229157
where:
bonds (distance) C4'-P energy: -136.552
bonds (distance) P-C4' energy: -145.812
flat angles C4'-P-C4' energy: -152.821
flat angles P-C4'-P energy: -110.717
tors. eta vs tors. theta energy: -236.327
Dist. restrs. and SS energy: 3.370 (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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2407.012734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.012734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.249098 (E_RNA)
where:
Base-Base interactions energy: -1711.790
where: short stacking energy: -724.811
Base-Backbone interact. energy: -4.282
local terms energy: -705.177062
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -126.972
flat angles C4'-P-C4' energy: -157.793
flat angles P-C4'-P energy: -98.732
tors. eta vs tors. theta energy: -201.766
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: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2372.350384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.350384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.927203 (E_RNA)
where:
Base-Base interactions energy: -1700.107
where: short stacking energy: -711.382
Base-Backbone interact. energy: 3.305
local terms energy: -679.124502
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -117.362
flat angles C4'-P-C4' energy: -140.959
flat angles P-C4'-P energy: -104.507
tors. eta vs tors. theta energy: -203.369
Dist. restrs. and SS energy: 3.577 (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: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2319.653567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.653567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.736948 (E_RNA)
where:
Base-Base interactions energy: -1633.064
where: short stacking energy: -686.506
Base-Backbone interact. energy: 1.715
local terms energy: -697.387360
where:
bonds (distance) C4'-P energy: -110.399
bonds (distance) P-C4' energy: -131.881
flat angles C4'-P-C4' energy: -153.709
flat angles P-C4'-P energy: -90.049
tors. eta vs tors. theta energy: -211.349
Dist. restrs. and SS energy: 9.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2206.851137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.851137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.514247 (E_RNA)
where:
Base-Base interactions energy: -1559.787
where: short stacking energy: -640.057
Base-Backbone interact. energy: -1.161
local terms energy: -655.565650
where:
bonds (distance) C4'-P energy: -110.579
bonds (distance) P-C4' energy: -139.782
flat angles C4'-P-C4' energy: -133.672
flat angles P-C4'-P energy: -94.906
tors. eta vs tors. theta energy: -176.627
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: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -2133.161291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.161291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.234245 (E_RNA)
where:
Base-Base interactions energy: -1521.311
where: short stacking energy: -621.784
Base-Backbone interact. energy: -1.889
local terms energy: -619.034075
where:
bonds (distance) C4'-P energy: -103.904
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -134.538
flat angles P-C4'-P energy: -82.629
tors. eta vs tors. theta energy: -187.962
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: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1877.170418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.170418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.589198 (E_RNA)
where:
Base-Base interactions energy: -1344.014
where: short stacking energy: -554.876
Base-Backbone interact. energy: -3.717
local terms energy: -551.858473
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -130.944
flat angles C4'-P-C4' energy: -117.515
flat angles P-C4'-P energy: -58.900
tors. eta vs tors. theta energy: -142.381
Dist. restrs. and SS energy: 22.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2753.740560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.740560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.389056 (E_RNA)
where:
Base-Base interactions energy: -1961.902
where: short stacking energy: -808.965
Base-Backbone interact. energy: -2.001
local terms energy: -792.486303
where:
bonds (distance) C4'-P energy: -128.321
bonds (distance) P-C4' energy: -127.422
flat angles C4'-P-C4' energy: -176.333
flat angles P-C4'-P energy: -113.601
tors. eta vs tors. theta energy: -246.810
Dist. restrs. and SS energy: 2.648 (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: 327
Temperature: 0.950000
Total energy: -2693.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.585688 (E_RNA)
where:
Base-Base interactions energy: -1874.895
where: short stacking energy: -791.760
Base-Backbone interact. energy: -2.232
local terms energy: -821.459369
where:
bonds (distance) C4'-P energy: -140.980
bonds (distance) P-C4' energy: -152.477
flat angles C4'-P-C4' energy: -175.207
flat angles P-C4'-P energy: -106.379
tors. eta vs tors. theta energy: -246.417
Dist. restrs. and SS energy: 4.979 (S_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: 327
Temperature: 1.000000
Total energy: -2629.188606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.188606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.080773 (E_RNA)
where:
Base-Base interactions energy: -1815.044
where: short stacking energy: -778.978
Base-Backbone interact. energy: -1.831
local terms energy: -817.205675
where:
bonds (distance) C4'-P energy: -153.036
bonds (distance) P-C4' energy: -156.484
flat angles C4'-P-C4' energy: -160.973
flat angles P-C4'-P energy: -108.547
tors. eta vs tors. theta energy: -238.165
Dist. restrs. and SS energy: 4.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2572.740596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.740596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.127273 (E_RNA)
where:
Base-Base interactions energy: -1819.142
where: short stacking energy: -774.603
Base-Backbone interact. energy: -3.689
local terms energy: -754.296637
where:
bonds (distance) C4'-P energy: -133.806
bonds (distance) P-C4' energy: -138.425
flat angles C4'-P-C4' energy: -160.933
flat angles P-C4'-P energy: -96.641
tors. eta vs tors. theta energy: -224.491
Dist. restrs. and SS energy: 4.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2435.232523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.232523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.031808 (E_RNA)
where:
Base-Base interactions energy: -1687.589
where: short stacking energy: -704.184
Base-Backbone interact. energy: 0.384
local terms energy: -754.826268
where:
bonds (distance) C4'-P energy: -130.185
bonds (distance) P-C4' energy: -138.610
flat angles C4'-P-C4' energy: -146.838
flat angles P-C4'-P energy: -124.575
tors. eta vs tors. theta energy: -214.619
Dist. restrs. and SS energy: 6.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2416.698585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.698585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.301743 (E_RNA)
where:
Base-Base interactions energy: -1702.844
where: short stacking energy: -692.629
Base-Backbone interact. energy: -3.578
local terms energy: -718.879971
where:
bonds (distance) C4'-P energy: -119.641
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -155.955
flat angles P-C4'-P energy: -101.221
tors. eta vs tors. theta energy: -212.181
Dist. restrs. and SS energy: 8.603 (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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2292.257066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.407041 (E_RNA)
where:
Base-Base interactions energy: -1612.439
where: short stacking energy: -697.734
Base-Backbone interact. energy: 0.521
local terms energy: -688.489573
where:
bonds (distance) C4'-P energy: -132.545
bonds (distance) P-C4' energy: -106.996
flat angles C4'-P-C4' energy: -137.033
flat angles P-C4'-P energy: -104.287
tors. eta vs tors. theta energy: -207.628
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2241.814105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.814105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.373332 (E_RNA)
where:
Base-Base interactions energy: -1595.209
where: short stacking energy: -657.747
Base-Backbone interact. energy: -0.384
local terms energy: -653.779988
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -115.611
flat angles C4'-P-C4' energy: -129.240
flat angles P-C4'-P energy: -73.814
tors. eta vs tors. theta energy: -206.614
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -2138.322994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.322994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.761901 (E_RNA)
where:
Base-Base interactions energy: -1503.450
where: short stacking energy: -594.839
Base-Backbone interact. energy: -2.191
local terms energy: -647.120888
where:
bonds (distance) C4'-P energy: -102.958
bonds (distance) P-C4' energy: -122.376
flat angles C4'-P-C4' energy: -140.434
flat angles P-C4'-P energy: -89.242
tors. eta vs tors. theta energy: -192.111
Dist. restrs. and SS energy: 14.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1876.838304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.838304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.996917 (E_RNA)
where:
Base-Base interactions energy: -1317.716
where: short stacking energy: -521.823
Base-Backbone interact. energy: 0.656
local terms energy: -587.936755
where:
bonds (distance) C4'-P energy: -124.845
bonds (distance) P-C4' energy: -117.368
flat angles C4'-P-C4' energy: -118.250
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -155.298
Dist. restrs. and SS energy: 28.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2751.127174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.127174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.565012 (E_RNA)
where:
Base-Base interactions energy: -1914.285
where: short stacking energy: -800.040
Base-Backbone interact. energy: -1.663
local terms energy: -837.616799
where:
bonds (distance) C4'-P energy: -157.980
bonds (distance) P-C4' energy: -146.751
flat angles C4'-P-C4' energy: -169.980
flat angles P-C4'-P energy: -117.427
tors. eta vs tors. theta energy: -245.480
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2703.066855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.066855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.259808 (E_RNA)
where:
Base-Base interactions energy: -1901.761
where: short stacking energy: -813.976
Base-Backbone interact. energy: -2.470
local terms energy: -806.028923
where:
bonds (distance) C4'-P energy: -148.622
bonds (distance) P-C4' energy: -127.365
flat angles C4'-P-C4' energy: -170.786
flat angles P-C4'-P energy: -122.032
tors. eta vs tors. theta energy: -237.223
Dist. restrs. and SS energy: 7.193 (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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2618.701534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.308115 (E_RNA)
where:
Base-Base interactions energy: -1815.392
where: short stacking energy: -764.628
Base-Backbone interact. energy: -3.861
local terms energy: -803.054440
where:
bonds (distance) C4'-P energy: -150.761
bonds (distance) P-C4' energy: -131.051
flat angles C4'-P-C4' energy: -165.497
flat angles P-C4'-P energy: -119.408
tors. eta vs tors. theta energy: -236.337
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: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2550.970150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.970150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.464027 (E_RNA)
where:
Base-Base interactions energy: -1783.148
where: short stacking energy: -747.641
Base-Backbone interact. energy: 1.881
local terms energy: -773.197064
where:
bonds (distance) C4'-P energy: -143.556
bonds (distance) P-C4' energy: -143.375
flat angles C4'-P-C4' energy: -159.928
flat angles P-C4'-P energy: -106.436
tors. eta vs tors. theta energy: -219.902
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2466.769573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.769573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.843700 (E_RNA)
where:
Base-Base interactions energy: -1738.556
where: short stacking energy: -757.418
Base-Backbone interact. energy: 1.685
local terms energy: -736.972187
where:
bonds (distance) C4'-P energy: -131.788
bonds (distance) P-C4' energy: -118.563
flat angles C4'-P-C4' energy: -155.070
flat angles P-C4'-P energy: -107.035
tors. eta vs tors. theta energy: -224.516
Dist. restrs. and SS energy: 7.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2430.899757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.899757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.621040 (E_RNA)
where:
Base-Base interactions energy: -1716.420
where: short stacking energy: -729.657
Base-Backbone interact. energy: 7.961
local terms energy: -736.161594
where:
bonds (distance) C4'-P energy: -139.363
bonds (distance) P-C4' energy: -130.450
flat angles C4'-P-C4' energy: -153.451
flat angles P-C4'-P energy: -98.504
tors. eta vs tors. theta energy: -214.393
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: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2222.065978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.065978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.386009 (E_RNA)
where:
Base-Base interactions energy: -1553.061
where: short stacking energy: -656.952
Base-Backbone interact. energy: -0.603
local terms energy: -678.722304
where:
bonds (distance) C4'-P energy: -137.916
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -138.801
flat angles P-C4'-P energy: -76.653
tors. eta vs tors. theta energy: -191.882
Dist. restrs. and SS energy: 10.320 (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: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2240.672745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.672745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.984656 (E_RNA)
where:
Base-Base interactions energy: -1576.127
where: short stacking energy: -659.293
Base-Backbone interact. energy: 0.430
local terms energy: -673.288194
where:
bonds (distance) C4'-P energy: -109.240
bonds (distance) P-C4' energy: -119.357
flat angles C4'-P-C4' energy: -146.361
flat angles P-C4'-P energy: -93.648
tors. eta vs tors. theta energy: -204.681
Dist. restrs. and SS energy: 8.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -2132.853456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.853456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.635362 (E_RNA)
where:
Base-Base interactions energy: -1532.934
where: short stacking energy: -624.172
Base-Backbone interact. energy: 4.435
local terms energy: -613.135515
where:
bonds (distance) C4'-P energy: -102.727
bonds (distance) P-C4' energy: -94.401
flat angles C4'-P-C4' energy: -143.540
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -176.603
Dist. restrs. and SS energy: 8.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1836.072264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.072264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.129419 (E_RNA)
where:
Base-Base interactions energy: -1298.281
where: short stacking energy: -518.076
Base-Backbone interact. energy: -2.049
local terms energy: -560.798925
where:
bonds (distance) C4'-P energy: -101.579
bonds (distance) P-C4' energy: -104.582
flat angles C4'-P-C4' energy: -135.747
flat angles P-C4'-P energy: -92.156
tors. eta vs tors. theta energy: -126.734
Dist. restrs. and SS energy: 25.057 (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: 329
Temperature: 0.900000
Total energy: -2769.468969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.468969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.679648 (E_RNA)
where:
Base-Base interactions energy: -1963.886
where: short stacking energy: -849.988
Base-Backbone interact. energy: -1.577
local terms energy: -808.216685
where:
bonds (distance) C4'-P energy: -141.324
bonds (distance) P-C4' energy: -145.381
flat angles C4'-P-C4' energy: -169.367
flat angles P-C4'-P energy: -110.213
tors. eta vs tors. theta energy: -241.932
Dist. restrs. and SS energy: 4.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2681.817208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.817208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.217040 (E_RNA)
where:
Base-Base interactions energy: -1870.323
where: short stacking energy: -807.132
Base-Backbone interact. energy: -2.663
local terms energy: -817.230815
where:
bonds (distance) C4'-P energy: -141.630
bonds (distance) P-C4' energy: -148.154
flat angles C4'-P-C4' energy: -173.198
flat angles P-C4'-P energy: -106.289
tors. eta vs tors. theta energy: -247.961
Dist. restrs. and SS energy: 8.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2635.845098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.845098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.065983 (E_RNA)
where:
Base-Base interactions energy: -1860.117
where: short stacking energy: -795.352
Base-Backbone interact. energy: 0.361
local terms energy: -781.309543
where:
bonds (distance) C4'-P energy: -137.417
bonds (distance) P-C4' energy: -129.084
flat angles C4'-P-C4' energy: -170.272
flat angles P-C4'-P energy: -108.123
tors. eta vs tors. theta energy: -236.413
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: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2556.916905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.916905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.053860 (E_RNA)
where:
Base-Base interactions energy: -1798.572
where: short stacking energy: -751.326
Base-Backbone interact. energy: -3.931
local terms energy: -760.550802
where:
bonds (distance) C4'-P energy: -123.965
bonds (distance) P-C4' energy: -140.988
flat angles C4'-P-C4' energy: -167.974
flat angles P-C4'-P energy: -104.254
tors. eta vs tors. theta energy: -223.371
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: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2459.618677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.618677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.803356 (E_RNA)
where:
Base-Base interactions energy: -1729.392
where: short stacking energy: -716.626
Base-Backbone interact. energy: 0.242
local terms energy: -736.653386
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -129.002
flat angles C4'-P-C4' energy: -147.121
flat angles P-C4'-P energy: -108.230
tors. eta vs tors. theta energy: -225.349
Dist. restrs. and SS energy: 6.185 (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: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2347.686603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.686603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.233532 (E_RNA)
where:
Base-Base interactions energy: -1650.037
where: short stacking energy: -677.876
Base-Backbone interact. energy: -2.652
local terms energy: -704.544656
where:
bonds (distance) C4'-P energy: -127.627
bonds (distance) P-C4' energy: -128.900
flat angles C4'-P-C4' energy: -159.913
flat angles P-C4'-P energy: -88.469
tors. eta vs tors. theta energy: -199.635
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: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2221.472836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.472836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.847885 (E_RNA)
where:
Base-Base interactions energy: -1557.693
where: short stacking energy: -635.017
Base-Backbone interact. energy: -3.531
local terms energy: -668.624139
where:
bonds (distance) C4'-P energy: -123.652
bonds (distance) P-C4' energy: -118.157
flat angles C4'-P-C4' energy: -149.438
flat angles P-C4'-P energy: -95.512
tors. eta vs tors. theta energy: -181.865
Dist. restrs. and SS energy: 8.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2235.129517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.129517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.733290 (E_RNA)
where:
Base-Base interactions energy: -1565.997
where: short stacking energy: -643.993
Base-Backbone interact. energy: 3.426
local terms energy: -682.161548
where:
bonds (distance) C4'-P energy: -110.797
bonds (distance) P-C4' energy: -136.047
flat angles C4'-P-C4' energy: -155.895
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -194.130
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: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -2130.447881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.447881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.558374 (E_RNA)
where:
Base-Base interactions energy: -1494.951
where: short stacking energy: -624.613
Base-Backbone interact. energy: -1.127
local terms energy: -646.480033
where:
bonds (distance) C4'-P energy: -135.183
bonds (distance) P-C4' energy: -117.926
flat angles C4'-P-C4' energy: -134.190
flat angles P-C4'-P energy: -79.797
tors. eta vs tors. theta energy: -179.384
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: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1830.126011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.126011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.546357 (E_RNA)
where:
Base-Base interactions energy: -1306.557
where: short stacking energy: -540.906
Base-Backbone interact. energy: -1.782
local terms energy: -554.207640
where:
bonds (distance) C4'-P energy: -113.999
bonds (distance) P-C4' energy: -108.649
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -75.782
tors. eta vs tors. theta energy: -147.220
Dist. restrs. and SS energy: 32.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2757.870250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.870250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.613320 (E_RNA)
where:
Base-Base interactions energy: -1943.921
where: short stacking energy: -806.225
Base-Backbone interact. energy: -1.494
local terms energy: -816.198938
where:
bonds (distance) C4'-P energy: -127.318
bonds (distance) P-C4' energy: -151.730
flat angles C4'-P-C4' energy: -180.497
flat angles P-C4'-P energy: -116.810
tors. eta vs tors. theta energy: -239.845
Dist. restrs. and SS energy: 3.743 (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: 330
Temperature: 0.950000
Total energy: -2658.427381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.427381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.885810 (E_RNA)
where:
Base-Base interactions energy: -1863.861
where: short stacking energy: -808.715
Base-Backbone interact. energy: -1.941
local terms energy: -796.083910
where:
bonds (distance) C4'-P energy: -131.051
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -173.010
flat angles P-C4'-P energy: -116.342
tors. eta vs tors. theta energy: -248.050
Dist. restrs. and SS energy: 3.458 (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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2600.179109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.179109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.822697 (E_RNA)
where:
Base-Base interactions energy: -1847.690
where: short stacking energy: -783.139
Base-Backbone interact. energy: -3.078
local terms energy: -753.054883
where:
bonds (distance) C4'-P energy: -129.755
bonds (distance) P-C4' energy: -123.702
flat angles C4'-P-C4' energy: -166.788
flat angles P-C4'-P energy: -110.833
tors. eta vs tors. theta energy: -221.977
Dist. restrs. and SS energy: 3.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2507.261965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.089397 (E_RNA)
where:
Base-Base interactions energy: -1780.133
where: short stacking energy: -758.258
Base-Backbone interact. energy: -0.226
local terms energy: -732.729965
where:
bonds (distance) C4'-P energy: -129.655
bonds (distance) P-C4' energy: -128.009
flat angles C4'-P-C4' energy: -149.674
flat angles P-C4'-P energy: -99.188
tors. eta vs tors. theta energy: -226.204
Dist. restrs. and SS energy: 5.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2444.650219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.650219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.459867 (E_RNA)
where:
Base-Base interactions energy: -1758.175
where: short stacking energy: -752.079
Base-Backbone interact. energy: 0.507
local terms energy: -695.791422
where:
bonds (distance) C4'-P energy: -109.172
bonds (distance) P-C4' energy: -107.667
flat angles C4'-P-C4' energy: -158.754
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -221.000
Dist. restrs. and SS energy: 8.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2329.401772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.401772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.297950 (E_RNA)
where:
Base-Base interactions energy: -1651.920
where: short stacking energy: -693.370
Base-Backbone interact. energy: -2.487
local terms energy: -688.891125
where:
bonds (distance) C4'-P energy: -139.238
bonds (distance) P-C4' energy: -113.770
flat angles C4'-P-C4' energy: -145.135
flat angles P-C4'-P energy: -92.692
tors. eta vs tors. theta energy: -198.055
Dist. restrs. and SS energy: 13.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2272.253339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.253339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.481818 (E_RNA)
where:
Base-Base interactions energy: -1587.674
where: short stacking energy: -660.670
Base-Backbone interact. energy: 1.371
local terms energy: -693.178555
where:
bonds (distance) C4'-P energy: -114.534
bonds (distance) P-C4' energy: -125.060
flat angles C4'-P-C4' energy: -149.436
flat angles P-C4'-P energy: -107.482
tors. eta vs tors. theta energy: -196.667
Dist. restrs. and SS energy: 7.228 (S_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: 330
Temperature: 1.250000
Total energy: -2243.672827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.672827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.724073 (E_RNA)
where:
Base-Base interactions energy: -1589.846
where: short stacking energy: -671.355
Base-Backbone interact. energy: -3.313
local terms energy: -661.564443
where:
bonds (distance) C4'-P energy: -121.713
bonds (distance) P-C4' energy: -103.384
flat angles C4'-P-C4' energy: -142.900
flat angles P-C4'-P energy: -95.775
tors. eta vs tors. theta energy: -197.792
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: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -2162.773943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.773943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.583111 (E_RNA)
where:
Base-Base interactions energy: -1507.659
where: short stacking energy: -609.508
Base-Backbone interact. energy: -0.641
local terms energy: -662.282677
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -119.505
flat angles C4'-P-C4' energy: -144.007
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -184.318
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: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1890.765880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.765880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.005832 (E_RNA)
where:
Base-Base interactions energy: -1336.193
where: short stacking energy: -572.651
Base-Backbone interact. energy: -0.118
local terms energy: -581.695074
where:
bonds (distance) C4'-P energy: -99.770
bonds (distance) P-C4' energy: -124.862
flat angles C4'-P-C4' energy: -130.136
flat angles P-C4'-P energy: -76.080
tors. eta vs tors. theta energy: -150.847
Dist. restrs. and SS energy: 27.240 (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: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2773.626946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.626946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.490182 (E_RNA)
where:
Base-Base interactions energy: -1942.115
where: short stacking energy: -812.599
Base-Backbone interact. energy: 0.714
local terms energy: -835.089202
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -143.482
flat angles C4'-P-C4' energy: -182.538
flat angles P-C4'-P energy: -132.380
tors. eta vs tors. theta energy: -240.017
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2675.368812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.368812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.698134 (E_RNA)
where:
Base-Base interactions energy: -1865.975
where: short stacking energy: -792.387
Base-Backbone interact. energy: -3.685
local terms energy: -813.037760
where:
bonds (distance) C4'-P energy: -150.302
bonds (distance) P-C4' energy: -143.801
flat angles C4'-P-C4' energy: -165.098
flat angles P-C4'-P energy: -115.778
tors. eta vs tors. theta energy: -238.058
Dist. restrs. and SS energy: 7.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2603.837706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.837706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.171337 (E_RNA)
where:
Base-Base interactions energy: -1840.166
where: short stacking energy: -777.951
Base-Backbone interact. energy: -1.950
local terms energy: -769.055073
where:
bonds (distance) C4'-P energy: -145.582
bonds (distance) P-C4' energy: -139.720
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -92.722
tors. eta vs tors. theta energy: -233.753
Dist. restrs. and SS energy: 7.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2546.494302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.494302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.846864 (E_RNA)
where:
Base-Base interactions energy: -1810.980
where: short stacking energy: -745.774
Base-Backbone interact. energy: -4.309
local terms energy: -738.558399
where:
bonds (distance) C4'-P energy: -124.760
bonds (distance) P-C4' energy: -123.830
flat angles C4'-P-C4' energy: -161.834
flat angles P-C4'-P energy: -106.443
tors. eta vs tors. theta energy: -221.691
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: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2430.426287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.426287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.702621 (E_RNA)
where:
Base-Base interactions energy: -1709.704
where: short stacking energy: -703.367
Base-Backbone interact. energy: -2.107
local terms energy: -723.891630
where:
bonds (distance) C4'-P energy: -121.800
bonds (distance) P-C4' energy: -131.658
flat angles C4'-P-C4' energy: -164.438
flat angles P-C4'-P energy: -103.506
tors. eta vs tors. theta energy: -202.490
Dist. restrs. and SS energy: 5.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2374.263155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.263155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.494221 (E_RNA)
where:
Base-Base interactions energy: -1676.791
where: short stacking energy: -705.968
Base-Backbone interact. energy: -1.177
local terms energy: -702.526288
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -129.762
flat angles C4'-P-C4' energy: -138.202
flat angles P-C4'-P energy: -96.625
tors. eta vs tors. theta energy: -214.735
Dist. restrs. and SS energy: 6.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2268.463581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.463581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.289911 (E_RNA)
where:
Base-Base interactions energy: -1604.138
where: short stacking energy: -660.340
Base-Backbone interact. energy: -1.287
local terms energy: -670.865509
where:
bonds (distance) C4'-P energy: -120.772
bonds (distance) P-C4' energy: -134.366
flat angles C4'-P-C4' energy: -142.575
flat angles P-C4'-P energy: -86.446
tors. eta vs tors. theta energy: -186.706
Dist. restrs. and SS energy: 7.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2268.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.989244 (E_RNA)
where:
Base-Base interactions energy: -1573.408
where: short stacking energy: -650.477
Base-Backbone interact. energy: -2.661
local terms energy: -702.919667
where:
bonds (distance) C4'-P energy: -120.042
bonds (distance) P-C4' energy: -114.321
flat angles C4'-P-C4' energy: -150.937
flat angles P-C4'-P energy: -116.756
tors. eta vs tors. theta energy: -200.863
Dist. restrs. and SS energy: 10.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -2123.702104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.702104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.114485 (E_RNA)
where:
Base-Base interactions energy: -1484.109
where: short stacking energy: -625.165
Base-Backbone interact. energy: 5.665
local terms energy: -658.670819
where:
bonds (distance) C4'-P energy: -111.397
bonds (distance) P-C4' energy: -125.264
flat angles C4'-P-C4' energy: -138.877
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -190.681
Dist. restrs. and SS energy: 13.412 (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: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1807.557073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.557073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.514592 (E_RNA)
where:
Base-Base interactions energy: -1295.430
where: short stacking energy: -523.704
Base-Backbone interact. energy: 9.875
local terms energy: -544.959552
where:
bonds (distance) C4'-P energy: -105.855
bonds (distance) P-C4' energy: -95.593
flat angles C4'-P-C4' energy: -127.135
flat angles P-C4'-P energy: -80.248
tors. eta vs tors. theta energy: -136.129
Dist. restrs. and SS energy: 22.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2788.672710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.672710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.304733 (E_RNA)
where:
Base-Base interactions energy: -1968.022
where: short stacking energy: -829.689
Base-Backbone interact. energy: -2.709
local terms energy: -820.573865
where:
bonds (distance) C4'-P energy: -144.317
bonds (distance) P-C4' energy: -140.658
flat angles C4'-P-C4' energy: -171.010
flat angles P-C4'-P energy: -116.724
tors. eta vs tors. theta energy: -247.865
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2699.311748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.311748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.049321 (E_RNA)
where:
Base-Base interactions energy: -1896.576
where: short stacking energy: -816.596
Base-Backbone interact. energy: -2.965
local terms energy: -810.508821
where:
bonds (distance) C4'-P energy: -143.060
bonds (distance) P-C4' energy: -139.636
flat angles C4'-P-C4' energy: -178.850
flat angles P-C4'-P energy: -117.094
tors. eta vs tors. theta energy: -231.870
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: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2631.076381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.076381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.589555 (E_RNA)
where:
Base-Base interactions energy: -1851.594
where: short stacking energy: -786.799
Base-Backbone interact. energy: -2.304
local terms energy: -783.691166
where:
bonds (distance) C4'-P energy: -135.971
bonds (distance) P-C4' energy: -146.930
flat angles C4'-P-C4' energy: -168.371
flat angles P-C4'-P energy: -108.240
tors. eta vs tors. theta energy: -224.180
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2551.124469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.124469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.575180 (E_RNA)
where:
Base-Base interactions energy: -1805.478
where: short stacking energy: -772.632
Base-Backbone interact. energy: -4.315
local terms energy: -745.782252
where:
bonds (distance) C4'-P energy: -111.591
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -165.546
flat angles P-C4'-P energy: -114.418
tors. eta vs tors. theta energy: -230.504
Dist. restrs. and SS energy: 4.451 (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: 332
Temperature: 1.100000
Total energy: -2444.575245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.575245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.272369 (E_RNA)
where:
Base-Base interactions energy: -1729.050
where: short stacking energy: -733.830
Base-Backbone interact. energy: -1.537
local terms energy: -719.685266
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -158.953
flat angles P-C4'-P energy: -90.445
tors. eta vs tors. theta energy: -225.310
Dist. restrs. and SS energy: 5.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2363.481835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.481835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.316269 (E_RNA)
where:
Base-Base interactions energy: -1654.553
where: short stacking energy: -725.386
Base-Backbone interact. energy: 0.365
local terms energy: -717.128363
where:
bonds (distance) C4'-P energy: -115.973
bonds (distance) P-C4' energy: -124.249
flat angles C4'-P-C4' energy: -160.240
flat angles P-C4'-P energy: -101.216
tors. eta vs tors. theta energy: -215.451
Dist. restrs. and SS energy: 7.834 (S_DIST_RNA)
chem. 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: -2254.273249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.273249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.470277 (E_RNA)
where:
Base-Base interactions energy: -1568.942
where: short stacking energy: -655.076
Base-Backbone interact. energy: -2.955
local terms energy: -690.572841
where:
bonds (distance) C4'-P energy: -126.144
bonds (distance) P-C4' energy: -122.715
flat angles C4'-P-C4' energy: -153.557
flat angles P-C4'-P energy: -94.301
tors. eta vs tors. theta energy: -193.856
Dist. restrs. and SS energy: 8.197 (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: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2217.053396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.053396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.932437 (E_RNA)
where:
Base-Base interactions energy: -1541.994
where: short stacking energy: -636.158
Base-Backbone interact. energy: -2.974
local terms energy: -681.964524
where:
bonds (distance) C4'-P energy: -125.783
bonds (distance) P-C4' energy: -139.363
flat angles C4'-P-C4' energy: -143.204
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -191.342
Dist. restrs. and SS energy: 9.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -2126.069220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.069220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.356021 (E_RNA)
where:
Base-Base interactions energy: -1497.976
where: short stacking energy: -609.494
Base-Backbone interact. energy: 1.494
local terms energy: -639.874086
where:
bonds (distance) C4'-P energy: -108.667
bonds (distance) P-C4' energy: -118.570
flat angles C4'-P-C4' energy: -135.327
flat angles P-C4'-P energy: -89.845
tors. eta vs tors. theta energy: -187.465
Dist. restrs. and SS energy: 10.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1845.517027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.517027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.898485 (E_RNA)
where:
Base-Base interactions energy: -1287.376
where: short stacking energy: -526.552
Base-Backbone interact. energy: -3.659
local terms energy: -581.862804
where:
bonds (distance) C4'-P energy: -110.998
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -139.309
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -147.660
Dist. restrs. and SS energy: 27.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2770.855465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.855465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.627515 (E_RNA)
where:
Base-Base interactions energy: -1958.090
where: short stacking energy: -819.101
Base-Backbone interact. energy: -4.071
local terms energy: -812.466591
where:
bonds (distance) C4'-P energy: -141.388
bonds (distance) P-C4' energy: -147.488
flat angles C4'-P-C4' energy: -167.569
flat angles P-C4'-P energy: -116.719
tors. eta vs tors. theta energy: -239.303
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2686.020564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.020564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.507589 (E_RNA)
where:
Base-Base interactions energy: -1883.878
where: short stacking energy: -814.912
Base-Backbone interact. energy: -4.707
local terms energy: -806.922497
where:
bonds (distance) C4'-P energy: -151.333
bonds (distance) P-C4' energy: -143.043
flat angles C4'-P-C4' energy: -165.471
flat angles P-C4'-P energy: -109.504
tors. eta vs tors. theta energy: -237.571
Dist. restrs. and SS energy: 9.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2598.108652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.108652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.306456 (E_RNA)
where:
Base-Base interactions energy: -1835.562
where: short stacking energy: -773.627
Base-Backbone interact. energy: -5.128
local terms energy: -766.616716
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -144.657
flat angles C4'-P-C4' energy: -156.355
flat angles P-C4'-P energy: -102.580
tors. eta vs tors. theta energy: -228.008
Dist. restrs. and SS energy: 9.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2556.821448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.821448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.968914 (E_RNA)
where:
Base-Base interactions energy: -1820.173
where: short stacking energy: -772.239
Base-Backbone interact. energy: -2.382
local terms energy: -738.414027
where:
bonds (distance) C4'-P energy: -141.090
bonds (distance) P-C4' energy: -120.688
flat angles C4'-P-C4' energy: -153.576
flat angles P-C4'-P energy: -94.618
tors. eta vs tors. theta energy: -228.442
Dist. restrs. and SS energy: 4.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2439.936145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.936145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.301706 (E_RNA)
where:
Base-Base interactions energy: -1739.010
where: short stacking energy: -734.694
Base-Backbone interact. energy: 0.331
local terms energy: -704.622797
where:
bonds (distance) C4'-P energy: -109.842
bonds (distance) P-C4' energy: -125.593
flat angles C4'-P-C4' energy: -155.964
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -220.540
Dist. restrs. and SS energy: 3.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2387.198476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.198476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.185200 (E_RNA)
where:
Base-Base interactions energy: -1693.153
where: short stacking energy: -720.882
Base-Backbone interact. energy: -3.682
local terms energy: -700.349476
where:
bonds (distance) C4'-P energy: -133.967
bonds (distance) P-C4' energy: -119.543
flat angles C4'-P-C4' energy: -146.299
flat angles P-C4'-P energy: -84.647
tors. eta vs tors. theta energy: -215.893
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: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2237.234738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.234738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.881107 (E_RNA)
where:
Base-Base interactions energy: -1587.615
where: short stacking energy: -666.055
Base-Backbone interact. energy: -2.041
local terms energy: -662.224256
where:
bonds (distance) C4'-P energy: -114.298
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -143.380
flat angles P-C4'-P energy: -87.431
tors. eta vs tors. theta energy: -196.902
Dist. restrs. and SS energy: 14.646 (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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2199.682687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.682687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.227446 (E_RNA)
where:
Base-Base interactions energy: -1539.083
where: short stacking energy: -652.241
Base-Backbone interact. energy: -0.786
local terms energy: -668.358530
where:
bonds (distance) C4'-P energy: -124.969
bonds (distance) P-C4' energy: -126.649
flat angles C4'-P-C4' energy: -135.208
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -197.949
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -2143.405090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.405090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.968471 (E_RNA)
where:
Base-Base interactions energy: -1557.438
where: short stacking energy: -629.922
Base-Backbone interact. energy: -1.641
local terms energy: -594.889352
where:
bonds (distance) C4'-P energy: -88.391
bonds (distance) P-C4' energy: -111.496
flat angles C4'-P-C4' energy: -141.399
flat angles P-C4'-P energy: -76.932
tors. eta vs tors. theta energy: -176.672
Dist. restrs. and SS energy: 10.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1826.903301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.903301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.593600 (E_RNA)
where:
Base-Base interactions energy: -1276.420
where: short stacking energy: -528.596
Base-Backbone interact. energy: -0.941
local terms energy: -581.232577
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -129.753
flat angles C4'-P-C4' energy: -130.644
flat angles P-C4'-P energy: -66.678
tors. eta vs tors. theta energy: -148.052
Dist. restrs. and SS energy: 31.690 (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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2760.391705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.391705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.224607 (E_RNA)
where:
Base-Base interactions energy: -1943.183
where: short stacking energy: -818.940
Base-Backbone interact. energy: -0.641
local terms energy: -820.400502
where:
bonds (distance) C4'-P energy: -147.223
bonds (distance) P-C4' energy: -141.199
flat angles C4'-P-C4' energy: -173.698
flat angles P-C4'-P energy: -111.625
tors. eta vs tors. theta energy: -246.655
Dist. restrs. and SS energy: 3.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2705.900173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.900173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.599621 (E_RNA)
where:
Base-Base interactions energy: -1886.115
where: short stacking energy: -827.036
Base-Backbone interact. energy: -0.407
local terms energy: -825.077485
where:
bonds (distance) C4'-P energy: -145.133
bonds (distance) P-C4' energy: -137.994
flat angles C4'-P-C4' energy: -167.534
flat angles P-C4'-P energy: -124.671
tors. eta vs tors. theta energy: -249.744
Dist. restrs. and SS energy: 5.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2647.491112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.491112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.123989 (E_RNA)
where:
Base-Base interactions energy: -1839.338
where: short stacking energy: -777.787
Base-Backbone interact. energy: -5.116
local terms energy: -806.670218
where:
bonds (distance) C4'-P energy: -142.506
bonds (distance) P-C4' energy: -136.806
flat angles C4'-P-C4' energy: -170.369
flat angles P-C4'-P energy: -123.516
tors. eta vs tors. theta energy: -233.473
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: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2545.297192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.297192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.601946 (E_RNA)
where:
Base-Base interactions energy: -1781.087
where: short stacking energy: -771.204
Base-Backbone interact. energy: -4.456
local terms energy: -765.058721
where:
bonds (distance) C4'-P energy: -129.494
bonds (distance) P-C4' energy: -139.057
flat angles C4'-P-C4' energy: -164.849
flat angles P-C4'-P energy: -109.937
tors. eta vs tors. theta energy: -221.722
Dist. restrs. and SS energy: 5.305 (S_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: 334
Temperature: 1.100000
Total energy: -2455.950408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.950408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.043078 (E_RNA)
where:
Base-Base interactions energy: -1700.332
where: short stacking energy: -719.153
Base-Backbone interact. energy: -1.822
local terms energy: -757.888447
where:
bonds (distance) C4'-P energy: -141.463
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -156.437
flat angles P-C4'-P energy: -102.492
tors. eta vs tors. theta energy: -216.942
Dist. restrs. and SS energy: 4.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2398.861494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.861494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.950410 (E_RNA)
where:
Base-Base interactions energy: -1682.277
where: short stacking energy: -724.829
Base-Backbone interact. energy: 3.174
local terms energy: -727.847997
where:
bonds (distance) C4'-P energy: -123.266
bonds (distance) P-C4' energy: -117.856
flat angles C4'-P-C4' energy: -163.549
flat angles P-C4'-P energy: -108.699
tors. eta vs tors. theta energy: -214.478
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: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2276.306431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.306431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.711469 (E_RNA)
where:
Base-Base interactions energy: -1622.486
where: short stacking energy: -670.654
Base-Backbone interact. energy: 1.537
local terms energy: -668.762272
where:
bonds (distance) C4'-P energy: -116.064
bonds (distance) P-C4' energy: -131.127
flat angles C4'-P-C4' energy: -137.963
flat angles P-C4'-P energy: -85.914
tors. eta vs tors. theta energy: -197.694
Dist. restrs. and SS energy: 13.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2227.845869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.845869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.532041 (E_RNA)
where:
Base-Base interactions energy: -1578.425
where: short stacking energy: -646.966
Base-Backbone interact. energy: -2.150
local terms energy: -653.956525
where:
bonds (distance) C4'-P energy: -98.198
bonds (distance) P-C4' energy: -118.060
flat angles C4'-P-C4' energy: -143.587
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -205.421
Dist. restrs. and SS energy: 6.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -2128.581193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.581193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.863633 (E_RNA)
where:
Base-Base interactions energy: -1497.341
where: short stacking energy: -640.682
Base-Backbone interact. energy: -1.427
local terms energy: -640.095941
where:
bonds (distance) C4'-P energy: -107.685
bonds (distance) P-C4' energy: -118.192
flat angles C4'-P-C4' energy: -147.560
flat angles P-C4'-P energy: -73.809
tors. eta vs tors. theta energy: -192.850
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: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1774.526749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.526749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.400659 (E_RNA)
where:
Base-Base interactions energy: -1233.221
where: short stacking energy: -509.035
Base-Backbone interact. energy: 3.579
local terms energy: -576.758892
where:
bonds (distance) C4'-P energy: -114.310
bonds (distance) P-C4' energy: -109.792
flat angles C4'-P-C4' energy: -131.549
flat angles P-C4'-P energy: -74.619
tors. eta vs tors. theta energy: -146.489
Dist. restrs. and SS energy: 31.874 (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: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2778.684053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.684053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.803255 (E_RNA)
where:
Base-Base interactions energy: -1930.918
where: short stacking energy: -808.231
Base-Backbone interact. energy: -1.733
local terms energy: -849.151996
where:
bonds (distance) C4'-P energy: -152.686
bonds (distance) P-C4' energy: -156.424
flat angles C4'-P-C4' energy: -174.191
flat angles P-C4'-P energy: -121.566
tors. eta vs tors. theta energy: -244.285
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2720.919738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.919738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.678676 (E_RNA)
where:
Base-Base interactions energy: -1907.927
where: short stacking energy: -820.602
Base-Backbone interact. energy: -3.008
local terms energy: -820.743829
where:
bonds (distance) C4'-P energy: -122.043
bonds (distance) P-C4' energy: -154.512
flat angles C4'-P-C4' energy: -176.678
flat angles P-C4'-P energy: -122.645
tors. eta vs tors. theta energy: -244.867
Dist. restrs. and SS energy: 10.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2664.171550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.171550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.337182 (E_RNA)
where:
Base-Base interactions energy: -1861.241
where: short stacking energy: -792.020
Base-Backbone interact. energy: -2.097
local terms energy: -804.998504
where:
bonds (distance) C4'-P energy: -127.745
bonds (distance) P-C4' energy: -139.692
flat angles C4'-P-C4' energy: -182.448
flat angles P-C4'-P energy: -117.611
tors. eta vs tors. theta energy: -237.503
Dist. restrs. and SS energy: 4.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2507.155399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.155399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.470957 (E_RNA)
where:
Base-Base interactions energy: -1775.664
where: short stacking energy: -786.466
Base-Backbone interact. energy: -2.174
local terms energy: -735.633481
where:
bonds (distance) C4'-P energy: -130.020
bonds (distance) P-C4' energy: -134.794
flat angles C4'-P-C4' energy: -153.150
flat angles P-C4'-P energy: -87.796
tors. eta vs tors. theta energy: -229.874
Dist. restrs. and SS energy: 6.316 (S_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: 335
Temperature: 1.100000
Total energy: -2468.658406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.658406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.043662 (E_RNA)
where:
Base-Base interactions energy: -1718.567
where: short stacking energy: -738.747
Base-Backbone interact. energy: -1.486
local terms energy: -755.991334
where:
bonds (distance) C4'-P energy: -130.418
bonds (distance) P-C4' energy: -140.146
flat angles C4'-P-C4' energy: -162.053
flat angles P-C4'-P energy: -110.149
tors. eta vs tors. theta energy: -213.225
Dist. restrs. and SS energy: 7.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2404.217201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.217201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.865744 (E_RNA)
where:
Base-Base interactions energy: -1725.661
where: short stacking energy: -720.670
Base-Backbone interact. energy: 0.490
local terms energy: -684.694675
where:
bonds (distance) C4'-P energy: -109.985
bonds (distance) P-C4' energy: -116.369
flat angles C4'-P-C4' energy: -155.985
flat angles P-C4'-P energy: -96.464
tors. eta vs tors. theta energy: -205.890
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: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2268.618325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.618325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.462451 (E_RNA)
where:
Base-Base interactions energy: -1587.851
where: short stacking energy: -631.658
Base-Backbone interact. energy: -2.408
local terms energy: -687.203678
where:
bonds (distance) C4'-P energy: -110.309
bonds (distance) P-C4' energy: -119.935
flat angles C4'-P-C4' energy: -153.979
flat angles P-C4'-P energy: -109.037
tors. eta vs tors. theta energy: -193.943
Dist. restrs. and SS energy: 8.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -2189.589370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.589370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.914057 (E_RNA)
where:
Base-Base interactions energy: -1538.365
where: short stacking energy: -646.184
Base-Backbone interact. energy: 1.382
local terms energy: -663.930914
where:
bonds (distance) C4'-P energy: -127.990
bonds (distance) P-C4' energy: -122.655
flat angles C4'-P-C4' energy: -142.100
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -189.082
Dist. restrs. and SS energy: 11.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -2162.941157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.941157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.971495 (E_RNA)
where:
Base-Base interactions energy: -1515.228
where: short stacking energy: -624.677
Base-Backbone interact. energy: -1.674
local terms energy: -656.069974
where:
bonds (distance) C4'-P energy: -115.480
bonds (distance) P-C4' energy: -120.032
flat angles C4'-P-C4' energy: -149.012
flat angles P-C4'-P energy: -88.746
tors. eta vs tors. theta energy: -182.799
Dist. restrs. and SS energy: 10.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1808.658518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.658518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.954662 (E_RNA)
where:
Base-Base interactions energy: -1266.056
where: short stacking energy: -510.896
Base-Backbone interact. energy: -3.581
local terms energy: -564.317532
where:
bonds (distance) C4'-P energy: -120.200
bonds (distance) P-C4' energy: -120.672
flat angles C4'-P-C4' energy: -122.955
flat angles P-C4'-P energy: -72.243
tors. eta vs tors. theta energy: -128.248
Dist. restrs. and SS energy: 25.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2799.294870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.294870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.889277 (E_RNA)
where:
Base-Base interactions energy: -1958.126
where: short stacking energy: -820.381
Base-Backbone interact. energy: -4.164
local terms energy: -839.598371
where:
bonds (distance) C4'-P energy: -146.514
bonds (distance) P-C4' energy: -145.235
flat angles C4'-P-C4' energy: -178.756
flat angles P-C4'-P energy: -116.341
tors. eta vs tors. theta energy: -252.752
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2708.257474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.257474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.073398 (E_RNA)
where:
Base-Base interactions energy: -1900.895
where: short stacking energy: -819.211
Base-Backbone interact. energy: -0.908
local terms energy: -811.270206
where:
bonds (distance) C4'-P energy: -136.932
bonds (distance) P-C4' energy: -152.655
flat angles C4'-P-C4' energy: -168.802
flat angles P-C4'-P energy: -109.016
tors. eta vs tors. theta energy: -243.865
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: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2630.264210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.264210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.054808 (E_RNA)
where:
Base-Base interactions energy: -1825.756
where: short stacking energy: -770.794
Base-Backbone interact. energy: -2.352
local terms energy: -806.946561
where:
bonds (distance) C4'-P energy: -135.148
bonds (distance) P-C4' energy: -157.606
flat angles C4'-P-C4' energy: -158.736
flat angles P-C4'-P energy: -120.777
tors. eta vs tors. theta energy: -234.679
Dist. restrs. and SS energy: 4.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2477.854668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.854668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.441164 (E_RNA)
where:
Base-Base interactions energy: -1780.879
where: short stacking energy: -752.558
Base-Backbone interact. energy: -0.554
local terms energy: -701.007459
where:
bonds (distance) C4'-P energy: -133.847
bonds (distance) P-C4' energy: -109.951
flat angles C4'-P-C4' energy: -143.165
flat angles P-C4'-P energy: -112.568
tors. eta vs tors. theta energy: -201.476
Dist. restrs. and SS energy: 4.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2456.164308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.164308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.344322 (E_RNA)
where:
Base-Base interactions energy: -1727.521
where: short stacking energy: -712.090
Base-Backbone interact. energy: -0.385
local terms energy: -734.438636
where:
bonds (distance) C4'-P energy: -133.168
bonds (distance) P-C4' energy: -127.927
flat angles C4'-P-C4' energy: -156.974
flat angles P-C4'-P energy: -110.631
tors. eta vs tors. theta energy: -205.738
Dist. restrs. and SS energy: 6.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2391.029271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.029271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.124729 (E_RNA)
where:
Base-Base interactions energy: -1708.447
where: short stacking energy: -702.550
Base-Backbone interact. energy: -2.784
local terms energy: -688.893257
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -133.771
flat angles C4'-P-C4' energy: -145.173
flat angles P-C4'-P energy: -100.742
tors. eta vs tors. theta energy: -201.482
Dist. restrs. and SS energy: 9.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2266.068335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.068335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.193709 (E_RNA)
where:
Base-Base interactions energy: -1604.473
where: short stacking energy: -669.674
Base-Backbone interact. energy: -2.997
local terms energy: -666.724183
where:
bonds (distance) C4'-P energy: -119.177
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -146.363
flat angles P-C4'-P energy: -72.453
tors. eta vs tors. theta energy: -205.497
Dist. restrs. and SS energy: 8.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2219.054563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.054563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.533048 (E_RNA)
where:
Base-Base interactions energy: -1566.354
where: short stacking energy: -626.163
Base-Backbone interact. energy: -4.218
local terms energy: -662.960766
where:
bonds (distance) C4'-P energy: -115.941
bonds (distance) P-C4' energy: -144.347
flat angles C4'-P-C4' energy: -131.799
flat angles P-C4'-P energy: -86.363
tors. eta vs tors. theta energy: -184.511
Dist. restrs. and SS energy: 14.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -2123.790931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.790931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.761239 (E_RNA)
where:
Base-Base interactions energy: -1494.062
where: short stacking energy: -617.911
Base-Backbone interact. energy: -4.460
local terms energy: -635.239295
where:
bonds (distance) C4'-P energy: -107.282
bonds (distance) P-C4' energy: -127.359
flat angles C4'-P-C4' energy: -142.683
flat angles P-C4'-P energy: -95.363
tors. eta vs tors. theta energy: -162.553
Dist. restrs. and SS energy: 9.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1869.080652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.080652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.337374 (E_RNA)
where:
Base-Base interactions energy: -1323.638
where: short stacking energy: -566.728
Base-Backbone interact. energy: -0.738
local terms energy: -572.960981
where:
bonds (distance) C4'-P energy: -112.535
bonds (distance) P-C4' energy: -116.652
flat angles C4'-P-C4' energy: -114.239
flat angles P-C4'-P energy: -75.058
tors. eta vs tors. theta energy: -154.476
Dist. restrs. and SS energy: 28.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2813.000476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.000476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.468683 (E_RNA)
where:
Base-Base interactions energy: -1969.012
where: short stacking energy: -835.730
Base-Backbone interact. energy: -3.558
local terms energy: -842.897933
where:
bonds (distance) C4'-P energy: -138.235
bonds (distance) P-C4' energy: -150.208
flat angles C4'-P-C4' energy: -177.661
flat angles P-C4'-P energy: -125.149
tors. eta vs tors. theta energy: -251.644
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2720.906475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.906475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.440742 (E_RNA)
where:
Base-Base interactions energy: -1873.289
where: short stacking energy: -820.804
Base-Backbone interact. energy: -2.789
local terms energy: -851.362962
where:
bonds (distance) C4'-P energy: -147.696
bonds (distance) P-C4' energy: -159.150
flat angles C4'-P-C4' energy: -168.846
flat angles P-C4'-P energy: -120.215
tors. eta vs tors. theta energy: -255.457
Dist. restrs. and SS energy: 6.534 (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: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2615.063555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.063555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.116112 (E_RNA)
where:
Base-Base interactions energy: -1845.908
where: short stacking energy: -805.256
Base-Backbone interact. energy: -2.071
local terms energy: -772.137123
where:
bonds (distance) C4'-P energy: -141.517
bonds (distance) P-C4' energy: -142.011
flat angles C4'-P-C4' energy: -151.922
flat angles P-C4'-P energy: -105.277
tors. eta vs tors. theta energy: -231.411
Dist. restrs. and SS energy: 5.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2516.231392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.231392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.377475 (E_RNA)
where:
Base-Base interactions energy: -1764.307
where: short stacking energy: -753.256
Base-Backbone interact. energy: -4.410
local terms energy: -752.660781
where:
bonds (distance) C4'-P energy: -118.344
bonds (distance) P-C4' energy: -125.368
flat angles C4'-P-C4' energy: -167.515
flat angles P-C4'-P energy: -108.580
tors. eta vs tors. theta energy: -232.854
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: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2473.572971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.572971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.626227 (E_RNA)
where:
Base-Base interactions energy: -1778.854
where: short stacking energy: -734.723
Base-Backbone interact. energy: -0.970
local terms energy: -697.802924
where:
bonds (distance) C4'-P energy: -119.949
bonds (distance) P-C4' energy: -114.305
flat angles C4'-P-C4' energy: -148.854
flat angles P-C4'-P energy: -101.429
tors. eta vs tors. theta energy: -213.265
Dist. restrs. and SS energy: 4.053 (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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2398.446916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.446916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.325881 (E_RNA)
where:
Base-Base interactions energy: -1688.889
where: short stacking energy: -693.223
Base-Backbone interact. energy: -4.380
local terms energy: -711.056820
where:
bonds (distance) C4'-P energy: -132.824
bonds (distance) P-C4' energy: -129.162
flat angles C4'-P-C4' energy: -145.334
flat angles P-C4'-P energy: -93.888
tors. eta vs tors. theta energy: -209.848
Dist. restrs. and SS energy: 5.879 (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: 337
Temperature: 1.200000
Total energy: -2284.947947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.947947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.254036 (E_RNA)
where:
Base-Base interactions energy: -1596.253
where: short stacking energy: -666.257
Base-Backbone interact. energy: 1.714
local terms energy: -701.715106
where:
bonds (distance) C4'-P energy: -136.080
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -155.639
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -192.503
Dist. restrs. and SS energy: 11.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2215.752663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.752663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.173167 (E_RNA)
where:
Base-Base interactions energy: -1597.252
where: short stacking energy: -649.550
Base-Backbone interact. energy: -0.445
local terms energy: -626.476458
where:
bonds (distance) C4'-P energy: -119.654
bonds (distance) P-C4' energy: -112.334
flat angles C4'-P-C4' energy: -131.467
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -186.374
Dist. restrs. and SS energy: 8.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -2165.056969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.056969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.515736 (E_RNA)
where:
Base-Base interactions energy: -1502.450
where: short stacking energy: -631.996
Base-Backbone interact. energy: 0.339
local terms energy: -676.404193
where:
bonds (distance) C4'-P energy: -108.679
bonds (distance) P-C4' energy: -132.238
flat angles C4'-P-C4' energy: -151.206
flat angles P-C4'-P energy: -98.685
tors. eta vs tors. theta energy: -185.596
Dist. restrs. and SS energy: 13.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1852.980605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.980605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.508435 (E_RNA)
where:
Base-Base interactions energy: -1284.273
where: short stacking energy: -556.037
Base-Backbone interact. energy: -4.696
local terms energy: -602.539578
where:
bonds (distance) C4'-P energy: -116.168
bonds (distance) P-C4' energy: -127.536
flat angles C4'-P-C4' energy: -136.831
flat angles P-C4'-P energy: -66.284
tors. eta vs tors. theta energy: -155.722
Dist. restrs. and SS energy: 38.528 (S_DIST_RNA)
chem. 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: -2770.796994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.796994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.705021 (E_RNA)
where:
Base-Base interactions energy: -1951.730
where: short stacking energy: -833.296
Base-Backbone interact. energy: -1.115
local terms energy: -820.859516
where:
bonds (distance) C4'-P energy: -135.871
bonds (distance) P-C4' energy: -146.716
flat angles C4'-P-C4' energy: -172.430
flat angles P-C4'-P energy: -120.881
tors. eta vs tors. theta energy: -244.960
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: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2682.651762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.241008 (E_RNA)
where:
Base-Base interactions energy: -1877.658
where: short stacking energy: -784.277
Base-Backbone interact. energy: -3.417
local terms energy: -805.166195
where:
bonds (distance) C4'-P energy: -136.644
bonds (distance) P-C4' energy: -142.833
flat angles C4'-P-C4' energy: -159.386
flat angles P-C4'-P energy: -127.568
tors. eta vs tors. theta energy: -238.734
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2607.868359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.868359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.917537 (E_RNA)
where:
Base-Base interactions energy: -1813.778
where: short stacking energy: -762.679
Base-Backbone interact. energy: -0.950
local terms energy: -799.189899
where:
bonds (distance) C4'-P energy: -153.565
bonds (distance) P-C4' energy: -133.565
flat angles C4'-P-C4' energy: -161.186
flat angles P-C4'-P energy: -117.603
tors. eta vs tors. theta energy: -233.271
Dist. restrs. and SS energy: 6.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2470.719554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.719554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.194376 (E_RNA)
where:
Base-Base interactions energy: -1727.856
where: short stacking energy: -725.129
Base-Backbone interact. energy: -4.226
local terms energy: -742.112080
where:
bonds (distance) C4'-P energy: -147.464
bonds (distance) P-C4' energy: -130.925
flat angles C4'-P-C4' energy: -146.807
flat angles P-C4'-P energy: -105.368
tors. eta vs tors. theta energy: -211.549
Dist. restrs. and SS energy: 3.475 (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: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2467.617557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.617557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.871649 (E_RNA)
where:
Base-Base interactions energy: -1778.130
where: short stacking energy: -741.386
Base-Backbone interact. energy: -6.000
local terms energy: -687.741599
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -132.039
flat angles C4'-P-C4' energy: -165.134
flat angles P-C4'-P energy: -83.666
tors. eta vs tors. theta energy: -209.633
Dist. restrs. and SS energy: 4.254 (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: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2396.686169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.686169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.421088 (E_RNA)
where:
Base-Base interactions energy: -1705.417
where: short stacking energy: -698.606
Base-Backbone interact. energy: -3.518
local terms energy: -691.485718
where:
bonds (distance) C4'-P energy: -127.484
bonds (distance) P-C4' energy: -120.327
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -93.881
tors. eta vs tors. theta energy: -202.796
Dist. restrs. and SS energy: 3.735 (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: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2299.111193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.111193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.223133 (E_RNA)
where:
Base-Base interactions energy: -1620.908
where: short stacking energy: -643.895
Base-Backbone interact. energy: -3.144
local terms energy: -687.170804
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -131.781
flat angles C4'-P-C4' energy: -147.113
flat angles P-C4'-P energy: -109.991
tors. eta vs tors. theta energy: -189.357
Dist. restrs. and SS energy: 12.112 (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: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2198.316477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.316477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.561897 (E_RNA)
where:
Base-Base interactions energy: -1559.285
where: short stacking energy: -652.229
Base-Backbone interact. energy: 0.956
local terms energy: -648.232840
where:
bonds (distance) C4'-P energy: -132.707
bonds (distance) P-C4' energy: -109.395
flat angles C4'-P-C4' energy: -127.586
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -202.237
Dist. restrs. and SS energy: 8.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -2084.420162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.110271 (E_RNA)
where:
Base-Base interactions energy: -1475.894
where: short stacking energy: -619.313
Base-Backbone interact. energy: 4.471
local terms energy: -625.687515
where:
bonds (distance) C4'-P energy: -113.974
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -140.273
flat angles P-C4'-P energy: -75.898
tors. eta vs tors. theta energy: -176.635
Dist. restrs. and SS energy: 12.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1835.925740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.925740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.913819 (E_RNA)
where:
Base-Base interactions energy: -1284.298
where: short stacking energy: -521.963
Base-Backbone interact. energy: 2.714
local terms energy: -587.330714
where:
bonds (distance) C4'-P energy: -121.315
bonds (distance) P-C4' energy: -111.484
flat angles C4'-P-C4' energy: -121.420
flat angles P-C4'-P energy: -90.872
tors. eta vs tors. theta energy: -142.239
Dist. restrs. and SS energy: 32.988 (S_DIST_RNA)
chem. 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: -2780.366402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.366402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.884769 (E_RNA)
where:
Base-Base interactions energy: -1947.547
where: short stacking energy: -821.673
Base-Backbone interact. energy: -4.780
local terms energy: -831.558219
where:
bonds (distance) C4'-P energy: -144.743
bonds (distance) P-C4' energy: -143.551
flat angles C4'-P-C4' energy: -177.812
flat angles P-C4'-P energy: -110.292
tors. eta vs tors. theta energy: -255.160
Dist. restrs. and SS energy: 3.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2683.892567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.892567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.633195 (E_RNA)
where:
Base-Base interactions energy: -1877.476
where: short stacking energy: -800.624
Base-Backbone interact. energy: -1.793
local terms energy: -808.363900
where:
bonds (distance) C4'-P energy: -122.167
bonds (distance) P-C4' energy: -143.830
flat angles C4'-P-C4' energy: -176.930
flat angles P-C4'-P energy: -121.838
tors. eta vs tors. theta energy: -243.598
Dist. restrs. and SS energy: 3.741 (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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2596.894029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.894029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.369136 (E_RNA)
where:
Base-Base interactions energy: -1833.522
where: short stacking energy: -775.215
Base-Backbone interact. energy: -0.863
local terms energy: -766.984117
where:
bonds (distance) C4'-P energy: -136.102
bonds (distance) P-C4' energy: -147.813
flat angles C4'-P-C4' energy: -161.144
flat angles P-C4'-P energy: -92.650
tors. eta vs tors. theta energy: -229.275
Dist. restrs. and SS energy: 4.475 (S_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: 339
Temperature: 1.050000
Total energy: -2547.497500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.497500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.474141 (E_RNA)
where:
Base-Base interactions energy: -1793.696
where: short stacking energy: -769.080
Base-Backbone interact. energy: -5.331
local terms energy: -753.447224
where:
bonds (distance) C4'-P energy: -138.988
bonds (distance) P-C4' energy: -144.109
flat angles C4'-P-C4' energy: -165.740
flat angles P-C4'-P energy: -84.475
tors. eta vs tors. theta energy: -220.135
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2423.063990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.063990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.191119 (E_RNA)
where:
Base-Base interactions energy: -1732.027
where: short stacking energy: -710.367
Base-Backbone interact. energy: -1.171
local terms energy: -695.993424
where:
bonds (distance) C4'-P energy: -123.199
bonds (distance) P-C4' energy: -130.235
flat angles C4'-P-C4' energy: -159.314
flat angles P-C4'-P energy: -83.574
tors. eta vs tors. theta energy: -199.671
Dist. restrs. and SS energy: 6.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2416.274350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.274350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.361725 (E_RNA)
where:
Base-Base interactions energy: -1698.305
where: short stacking energy: -686.939
Base-Backbone interact. energy: -4.409
local terms energy: -718.647748
where:
bonds (distance) C4'-P energy: -131.224
bonds (distance) P-C4' energy: -128.279
flat angles C4'-P-C4' energy: -159.240
flat angles P-C4'-P energy: -105.512
tors. eta vs tors. theta energy: -194.393
Dist. restrs. and SS energy: 5.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2319.598858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.598858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.255524 (E_RNA)
where:
Base-Base interactions energy: -1653.575
where: short stacking energy: -665.440
Base-Backbone interact. energy: -0.510
local terms energy: -673.170567
where:
bonds (distance) C4'-P energy: -105.466
bonds (distance) P-C4' energy: -126.831
flat angles C4'-P-C4' energy: -149.904
flat angles P-C4'-P energy: -98.869
tors. eta vs tors. theta energy: -192.100
Dist. restrs. and SS energy: 7.657 (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: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2220.082810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.082810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.562022 (E_RNA)
where:
Base-Base interactions energy: -1571.679
where: short stacking energy: -661.411
Base-Backbone interact. energy: -3.885
local terms energy: -654.997458
where:
bonds (distance) C4'-P energy: -112.682
bonds (distance) P-C4' energy: -110.786
flat angles C4'-P-C4' energy: -148.959
flat angles P-C4'-P energy: -93.287
tors. eta vs tors. theta energy: -189.283
Dist. restrs. and SS energy: 10.479 (S_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: 339
Temperature: 1.300000
Total energy: -2142.746433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.746433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.704175 (E_RNA)
where:
Base-Base interactions energy: -1469.938
where: short stacking energy: -639.009
Base-Backbone interact. energy: -1.266
local terms energy: -686.499556
where:
bonds (distance) C4'-P energy: -116.613
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -161.851
flat angles P-C4'-P energy: -95.753
tors. eta vs tors. theta energy: -185.064
Dist. restrs. and SS energy: 14.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1825.431438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.431438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.067327 (E_RNA)
where:
Base-Base interactions energy: -1286.494
where: short stacking energy: -526.721
Base-Backbone interact. energy: -4.434
local terms energy: -566.139189
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -123.747
flat angles C4'-P-C4' energy: -114.625
flat angles P-C4'-P energy: -82.091
tors. eta vs tors. theta energy: -143.813
Dist. restrs. and SS energy: 31.636 (S_DIST_RNA)
chem. 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: -2783.320037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.320037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.234659 (E_RNA)
where:
Base-Base interactions energy: -1964.241
where: short stacking energy: -824.408
Base-Backbone interact. energy: -1.350
local terms energy: -819.643111
where:
bonds (distance) C4'-P energy: -137.219
bonds (distance) P-C4' energy: -149.519
flat angles C4'-P-C4' energy: -167.779
flat angles P-C4'-P energy: -121.709
tors. eta vs tors. theta energy: -243.416
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2690.907720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.907720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.445823 (E_RNA)
where:
Base-Base interactions energy: -1867.853
where: short stacking energy: -790.265
Base-Backbone interact. energy: -1.851
local terms energy: -826.741748
where:
bonds (distance) C4'-P energy: -139.651
bonds (distance) P-C4' energy: -149.729
flat angles C4'-P-C4' energy: -184.364
flat angles P-C4'-P energy: -109.814
tors. eta vs tors. theta energy: -243.184
Dist. restrs. and SS energy: 5.538 (S_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: -2562.191037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.191037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.545874 (E_RNA)
where:
Base-Base interactions energy: -1803.960
where: short stacking energy: -723.075
Base-Backbone interact. energy: 1.827
local terms energy: -763.412458
where:
bonds (distance) C4'-P energy: -143.815
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -102.462
tors. eta vs tors. theta energy: -221.801
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2543.760363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.760363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.835337 (E_RNA)
where:
Base-Base interactions energy: -1800.855
where: short stacking energy: -747.301
Base-Backbone interact. energy: -4.687
local terms energy: -744.293304
where:
bonds (distance) C4'-P energy: -113.875
bonds (distance) P-C4' energy: -133.548
flat angles C4'-P-C4' energy: -164.853
flat angles P-C4'-P energy: -103.103
tors. eta vs tors. theta energy: -228.915
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2464.153436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.153436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.503254 (E_RNA)
where:
Base-Base interactions energy: -1730.163
where: short stacking energy: -734.758
Base-Backbone interact. energy: 3.208
local terms energy: -744.548272
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -143.794
flat angles C4'-P-C4' energy: -161.366
flat angles P-C4'-P energy: -93.559
tors. eta vs tors. theta energy: -220.614
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: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2358.809671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.809671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.847619 (E_RNA)
where:
Base-Base interactions energy: -1680.674
where: short stacking energy: -700.325
Base-Backbone interact. energy: 3.006
local terms energy: -685.179695
where:
bonds (distance) C4'-P energy: -106.444
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -164.155
flat angles P-C4'-P energy: -97.649
tors. eta vs tors. theta energy: -201.796
Dist. restrs. and SS energy: 4.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2276.922211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.922211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.670576 (E_RNA)
where:
Base-Base interactions energy: -1633.782
where: short stacking energy: -665.707
Base-Backbone interact. energy: -1.442
local terms energy: -652.445968
where:
bonds (distance) C4'-P energy: -110.533
bonds (distance) P-C4' energy: -110.110
flat angles C4'-P-C4' energy: -134.433
flat angles P-C4'-P energy: -97.408
tors. eta vs tors. theta energy: -199.963
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: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2208.720604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.720604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.607817 (E_RNA)
where:
Base-Base interactions energy: -1571.510
where: short stacking energy: -660.785
Base-Backbone interact. energy: -0.003
local terms energy: -647.094291
where:
bonds (distance) C4'-P energy: -109.296
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -135.029
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -198.514
Dist. restrs. and SS energy: 9.887 (S_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: 340
Temperature: 1.300000
Total energy: -2103.242316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.242316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.869302 (E_RNA)
where:
Base-Base interactions energy: -1503.957
where: short stacking energy: -622.620
Base-Backbone interact. energy: -1.563
local terms energy: -610.349484
where:
bonds (distance) C4'-P energy: -101.976
bonds (distance) P-C4' energy: -117.179
flat angles C4'-P-C4' energy: -137.082
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -170.161
Dist. restrs. and SS energy: 12.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1828.971423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.971423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.616850 (E_RNA)
where:
Base-Base interactions energy: -1249.639
where: short stacking energy: -518.350
Base-Backbone interact. energy: -5.270
local terms energy: -613.707334
where:
bonds (distance) C4'-P energy: -123.133
bonds (distance) P-C4' energy: -120.282
flat angles C4'-P-C4' energy: -136.326
flat angles P-C4'-P energy: -89.393
tors. eta vs tors. theta energy: -144.574
Dist. restrs. and SS energy: 39.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2789.214091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.214091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.517144 (E_RNA)
where:
Base-Base interactions energy: -1952.636
where: short stacking energy: -832.406
Base-Backbone interact. energy: 0.522
local terms energy: -840.402982
where:
bonds (distance) C4'-P energy: -155.610
bonds (distance) P-C4' energy: -133.791
flat angles C4'-P-C4' energy: -180.311
flat angles P-C4'-P energy: -122.232
tors. eta vs tors. theta energy: -248.460
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2706.226004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.310216 (E_RNA)
where:
Base-Base interactions energy: -1897.731
where: short stacking energy: -798.982
Base-Backbone interact. energy: -4.414
local terms energy: -808.164263
where:
bonds (distance) C4'-P energy: -133.661
bonds (distance) P-C4' energy: -149.920
flat angles C4'-P-C4' energy: -170.228
flat angles P-C4'-P energy: -125.004
tors. eta vs tors. theta energy: -229.350
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: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2570.905325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.481511 (E_RNA)
where:
Base-Base interactions energy: -1826.474
where: short stacking energy: -772.058
Base-Backbone interact. energy: -2.700
local terms energy: -745.307785
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -134.621
flat angles C4'-P-C4' energy: -165.977
flat angles P-C4'-P energy: -93.910
tors. eta vs tors. theta energy: -219.997
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2526.909995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.909995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.936622 (E_RNA)
where:
Base-Base interactions energy: -1798.465
where: short stacking energy: -764.591
Base-Backbone interact. energy: -2.039
local terms energy: -732.432613
where:
bonds (distance) C4'-P energy: -107.603
bonds (distance) P-C4' energy: -131.204
flat angles C4'-P-C4' energy: -161.707
flat angles P-C4'-P energy: -108.327
tors. eta vs tors. theta energy: -223.592
Dist. restrs. and SS energy: 6.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2465.596241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.698563 (E_RNA)
where:
Base-Base interactions energy: -1741.323
where: short stacking energy: -720.879
Base-Backbone interact. energy: -3.174
local terms energy: -727.200819
where:
bonds (distance) C4'-P energy: -119.491
bonds (distance) P-C4' energy: -144.449
flat angles C4'-P-C4' energy: -155.328
flat angles P-C4'-P energy: -94.723
tors. eta vs tors. theta energy: -213.209
Dist. restrs. and SS energy: 6.102 (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: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2359.206219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.206219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.637153 (E_RNA)
where:
Base-Base interactions energy: -1669.598
where: short stacking energy: -694.393
Base-Backbone interact. energy: -2.066
local terms energy: -694.973302
where:
bonds (distance) C4'-P energy: -134.895
bonds (distance) P-C4' energy: -115.883
flat angles C4'-P-C4' energy: -159.384
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -202.604
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2356.995432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.995432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.754703 (E_RNA)
where:
Base-Base interactions energy: -1659.830
where: short stacking energy: -686.447
Base-Backbone interact. energy: -2.434
local terms energy: -698.490209
where:
bonds (distance) C4'-P energy: -132.481
bonds (distance) P-C4' energy: -114.606
flat angles C4'-P-C4' energy: -157.894
flat angles P-C4'-P energy: -101.132
tors. eta vs tors. theta energy: -192.377
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2187.588560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.588560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.159331 (E_RNA)
where:
Base-Base interactions energy: -1549.709
where: short stacking energy: -628.171
Base-Backbone interact. energy: -1.634
local terms energy: -648.815776
where:
bonds (distance) C4'-P energy: -109.995
bonds (distance) P-C4' energy: -109.623
flat angles C4'-P-C4' energy: -140.953
flat angles P-C4'-P energy: -84.931
tors. eta vs tors. theta energy: -203.314
Dist. restrs. and SS energy: 12.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -2106.702677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.702677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.047990 (E_RNA)
where:
Base-Base interactions energy: -1512.024
where: short stacking energy: -624.951
Base-Backbone interact. energy: -1.202
local terms energy: -602.822026
where:
bonds (distance) C4'-P energy: -104.972
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -139.183
flat angles P-C4'-P energy: -88.130
tors. eta vs tors. theta energy: -169.560
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: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1828.594201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.594201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.094546 (E_RNA)
where:
Base-Base interactions energy: -1298.443
where: short stacking energy: -528.307
Base-Backbone interact. energy: -0.834
local terms energy: -558.817189
where:
bonds (distance) C4'-P energy: -109.697
bonds (distance) P-C4' energy: -114.741
flat angles C4'-P-C4' energy: -126.925
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -138.956
Dist. restrs. and SS energy: 29.500 (S_DIST_RNA)
chem. 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: -2767.762178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.762178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.186396 (E_RNA)
where:
Base-Base interactions energy: -1932.241
where: short stacking energy: -827.777
Base-Backbone interact. energy: -2.076
local terms energy: -836.869063
where:
bonds (distance) C4'-P energy: -139.295
bonds (distance) P-C4' energy: -151.050
flat angles C4'-P-C4' energy: -175.015
flat angles P-C4'-P energy: -121.257
tors. eta vs tors. theta energy: -250.253
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: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2686.739473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.662127 (E_RNA)
where:
Base-Base interactions energy: -1868.946
where: short stacking energy: -813.731
Base-Backbone interact. energy: -6.156
local terms energy: -815.559293
where:
bonds (distance) C4'-P energy: -151.534
bonds (distance) P-C4' energy: -140.032
flat angles C4'-P-C4' energy: -154.895
flat angles P-C4'-P energy: -110.001
tors. eta vs tors. theta energy: -259.097
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: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2604.336935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.336935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.217206 (E_RNA)
where:
Base-Base interactions energy: -1831.399
where: short stacking energy: -751.037
Base-Backbone interact. energy: -0.345
local terms energy: -776.472984
where:
bonds (distance) C4'-P energy: -148.791
bonds (distance) P-C4' energy: -126.749
flat angles C4'-P-C4' energy: -173.338
flat angles P-C4'-P energy: -117.183
tors. eta vs tors. theta energy: -210.412
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2509.633905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.633905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.816750 (E_RNA)
where:
Base-Base interactions energy: -1770.619
where: short stacking energy: -737.078
Base-Backbone interact. energy: -2.962
local terms energy: -741.236230
where:
bonds (distance) C4'-P energy: -123.387
bonds (distance) P-C4' energy: -153.276
flat angles C4'-P-C4' energy: -143.105
flat angles P-C4'-P energy: -95.668
tors. eta vs tors. theta energy: -225.802
Dist. restrs. and SS energy: 5.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2453.924939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.924939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.611526 (E_RNA)
where:
Base-Base interactions energy: -1737.875
where: short stacking energy: -732.507
Base-Backbone interact. energy: -3.471
local terms energy: -718.265350
where:
bonds (distance) C4'-P energy: -134.618
bonds (distance) P-C4' energy: -133.415
flat angles C4'-P-C4' energy: -146.144
flat angles P-C4'-P energy: -98.792
tors. eta vs tors. theta energy: -205.296
Dist. restrs. and SS energy: 5.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2363.435415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.435415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.851777 (E_RNA)
where:
Base-Base interactions energy: -1672.616
where: short stacking energy: -666.967
Base-Backbone interact. energy: -4.496
local terms energy: -693.739204
where:
bonds (distance) C4'-P energy: -112.084
bonds (distance) P-C4' energy: -140.020
flat angles C4'-P-C4' energy: -147.502
flat angles P-C4'-P energy: -90.291
tors. eta vs tors. theta energy: -203.842
Dist. restrs. and SS energy: 7.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2335.436174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.436174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.588191 (E_RNA)
where:
Base-Base interactions energy: -1666.178
where: short stacking energy: -685.246
Base-Backbone interact. energy: 0.032
local terms energy: -673.442892
where:
bonds (distance) C4'-P energy: -112.253
bonds (distance) P-C4' energy: -111.375
flat angles C4'-P-C4' energy: -143.882
flat angles P-C4'-P energy: -106.428
tors. eta vs tors. theta energy: -199.505
Dist. restrs. and SS energy: 4.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2203.403287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.403287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.663270 (E_RNA)
where:
Base-Base interactions energy: -1572.342
where: short stacking energy: -640.204
Base-Backbone interact. energy: -1.327
local terms energy: -637.993894
where:
bonds (distance) C4'-P energy: -119.381
bonds (distance) P-C4' energy: -124.249
flat angles C4'-P-C4' energy: -129.113
flat angles P-C4'-P energy: -81.947
tors. eta vs tors. theta energy: -183.303
Dist. restrs. and SS energy: 8.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -2124.263035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.263035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.662273 (E_RNA)
where:
Base-Base interactions energy: -1503.344
where: short stacking energy: -612.158
Base-Backbone interact. energy: -1.982
local terms energy: -632.335778
where:
bonds (distance) C4'-P energy: -98.076
bonds (distance) P-C4' energy: -123.768
flat angles C4'-P-C4' energy: -151.449
flat angles P-C4'-P energy: -82.455
tors. eta vs tors. theta energy: -176.588
Dist. restrs. and SS energy: 13.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1881.283594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.283594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.734808 (E_RNA)
where:
Base-Base interactions energy: -1335.846
where: short stacking energy: -542.041
Base-Backbone interact. energy: -1.132
local terms energy: -578.757417
where:
bonds (distance) C4'-P energy: -118.641
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -125.788
flat angles P-C4'-P energy: -92.118
tors. eta vs tors. theta energy: -142.177
Dist. restrs. and SS energy: 34.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2773.802941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.802941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.171594 (E_RNA)
where:
Base-Base interactions energy: -1938.817
where: short stacking energy: -831.270
Base-Backbone interact. energy: -1.480
local terms energy: -837.874256
where:
bonds (distance) C4'-P energy: -146.107
bonds (distance) P-C4' energy: -155.387
flat angles C4'-P-C4' energy: -162.403
flat angles P-C4'-P energy: -119.298
tors. eta vs tors. theta energy: -254.679
Dist. restrs. and SS energy: 4.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2703.468778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.468778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.524966 (E_RNA)
where:
Base-Base interactions energy: -1888.063
where: short stacking energy: -825.761
Base-Backbone interact. energy: -4.905
local terms energy: -815.556446
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -141.756
flat angles C4'-P-C4' energy: -173.732
flat angles P-C4'-P energy: -114.524
tors. eta vs tors. theta energy: -252.093
Dist. restrs. and SS energy: 5.056 (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: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2593.934991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.934991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.172786 (E_RNA)
where:
Base-Base interactions energy: -1808.784
where: short stacking energy: -757.450
Base-Backbone interact. energy: -3.695
local terms energy: -784.693625
where:
bonds (distance) C4'-P energy: -140.660
bonds (distance) P-C4' energy: -122.924
flat angles C4'-P-C4' energy: -170.225
flat angles P-C4'-P energy: -120.386
tors. eta vs tors. theta energy: -230.498
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2550.292945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.292945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.863041 (E_RNA)
where:
Base-Base interactions energy: -1774.563
where: short stacking energy: -770.970
Base-Backbone interact. energy: -1.319
local terms energy: -780.981335
where:
bonds (distance) C4'-P energy: -130.325
bonds (distance) P-C4' energy: -139.298
flat angles C4'-P-C4' energy: -165.261
flat angles P-C4'-P energy: -103.482
tors. eta vs tors. theta energy: -242.615
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: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2459.294608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.294608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.620200 (E_RNA)
where:
Base-Base interactions energy: -1730.447
where: short stacking energy: -734.772
Base-Backbone interact. energy: -2.847
local terms energy: -734.325723
where:
bonds (distance) C4'-P energy: -119.766
bonds (distance) P-C4' energy: -133.727
flat angles C4'-P-C4' energy: -161.704
flat angles P-C4'-P energy: -98.919
tors. eta vs tors. theta energy: -220.210
Dist. restrs. and SS energy: 8.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2383.045821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.045821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.742748 (E_RNA)
where:
Base-Base interactions energy: -1680.064
where: short stacking energy: -700.067
Base-Backbone interact. energy: -6.745
local terms energy: -702.933299
where:
bonds (distance) C4'-P energy: -117.148
bonds (distance) P-C4' energy: -138.469
flat angles C4'-P-C4' energy: -142.457
flat angles P-C4'-P energy: -91.593
tors. eta vs tors. theta energy: -213.267
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: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2372.506274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.506274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.131956 (E_RNA)
where:
Base-Base interactions energy: -1684.456
where: short stacking energy: -680.455
Base-Backbone interact. energy: 0.586
local terms energy: -693.262231
where:
bonds (distance) C4'-P energy: -120.444
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -150.040
flat angles P-C4'-P energy: -87.924
tors. eta vs tors. theta energy: -211.391
Dist. restrs. and SS energy: 4.626 (S_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: 343
Temperature: 1.250000
Total energy: -2186.214639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.214639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.547613 (E_RNA)
where:
Base-Base interactions energy: -1548.000
where: short stacking energy: -641.805
Base-Backbone interact. energy: 1.084
local terms energy: -652.631606
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -126.295
flat angles C4'-P-C4' energy: -129.738
flat angles P-C4'-P energy: -97.327
tors. eta vs tors. theta energy: -186.819
Dist. restrs. and SS energy: 13.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -2077.342802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.342802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.807851 (E_RNA)
where:
Base-Base interactions energy: -1476.431
where: short stacking energy: -633.631
Base-Backbone interact. energy: 9.087
local terms energy: -624.464477
where:
bonds (distance) C4'-P energy: -126.818
bonds (distance) P-C4' energy: -119.627
flat angles C4'-P-C4' energy: -139.303
flat angles P-C4'-P energy: -70.323
tors. eta vs tors. theta energy: -168.394
Dist. restrs. and SS energy: 14.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1832.475098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.475098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.881925 (E_RNA)
where:
Base-Base interactions energy: -1286.173
where: short stacking energy: -532.289
Base-Backbone interact. energy: -1.424
local terms energy: -582.284845
where:
bonds (distance) C4'-P energy: -111.481
bonds (distance) P-C4' energy: -123.233
flat angles C4'-P-C4' energy: -140.228
flat angles P-C4'-P energy: -80.519
tors. eta vs tors. theta energy: -126.824
Dist. restrs. and SS energy: 37.407 (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: 344
Temperature: 0.900000
Total energy: -2794.003140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.003140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.205332 (E_RNA)
where:
Base-Base interactions energy: -1980.942
where: short stacking energy: -836.230
Base-Backbone interact. energy: -0.836
local terms energy: -815.427199
where:
bonds (distance) C4'-P energy: -141.970
bonds (distance) P-C4' energy: -144.523
flat angles C4'-P-C4' energy: -162.462
flat angles P-C4'-P energy: -115.745
tors. eta vs tors. theta energy: -250.728
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2675.590594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.590594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.101985 (E_RNA)
where:
Base-Base interactions energy: -1865.698
where: short stacking energy: -795.391
Base-Backbone interact. energy: -6.559
local terms energy: -806.844255
where:
bonds (distance) C4'-P energy: -145.801
bonds (distance) P-C4' energy: -133.584
flat angles C4'-P-C4' energy: -164.672
flat angles P-C4'-P energy: -120.537
tors. eta vs tors. theta energy: -242.249
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: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2593.723284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.723284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.791828 (E_RNA)
where:
Base-Base interactions energy: -1818.551
where: short stacking energy: -776.322
Base-Backbone interact. energy: -3.186
local terms energy: -778.055244
where:
bonds (distance) C4'-P energy: -121.984
bonds (distance) P-C4' energy: -144.537
flat angles C4'-P-C4' energy: -167.275
flat angles P-C4'-P energy: -103.839
tors. eta vs tors. theta energy: -240.419
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: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2529.663821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.663821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.711530 (E_RNA)
where:
Base-Base interactions energy: -1782.982
where: short stacking energy: -761.197
Base-Backbone interact. energy: -0.895
local terms energy: -750.834988
where:
bonds (distance) C4'-P energy: -134.124
bonds (distance) P-C4' energy: -139.039
flat angles C4'-P-C4' energy: -160.471
flat angles P-C4'-P energy: -98.987
tors. eta vs tors. theta energy: -218.215
Dist. restrs. and SS energy: 5.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2467.707222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.707222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.674117 (E_RNA)
where:
Base-Base interactions energy: -1740.814
where: short stacking energy: -738.559
Base-Backbone interact. energy: -4.806
local terms energy: -728.054949
where:
bonds (distance) C4'-P energy: -121.525
bonds (distance) P-C4' energy: -129.735
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -95.478
tors. eta vs tors. theta energy: -229.454
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: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2352.874133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.874133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.387787 (E_RNA)
where:
Base-Base interactions energy: -1657.615
where: short stacking energy: -705.199
Base-Backbone interact. energy: -2.936
local terms energy: -700.836750
where:
bonds (distance) C4'-P energy: -133.283
bonds (distance) P-C4' energy: -124.155
flat angles C4'-P-C4' energy: -142.662
flat angles P-C4'-P energy: -96.455
tors. eta vs tors. theta energy: -204.283
Dist. restrs. and SS energy: 8.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2341.314152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.314152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.177686 (E_RNA)
where:
Base-Base interactions energy: -1676.595
where: short stacking energy: -691.459
Base-Backbone interact. energy: -2.325
local terms energy: -668.257112
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -116.670
flat angles C4'-P-C4' energy: -148.183
flat angles P-C4'-P energy: -99.538
tors. eta vs tors. theta energy: -211.028
Dist. restrs. and SS energy: 5.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2179.919872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.919872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.107732 (E_RNA)
where:
Base-Base interactions energy: -1517.258
where: short stacking energy: -616.019
Base-Backbone interact. energy: -1.036
local terms energy: -672.813494
where:
bonds (distance) C4'-P energy: -131.895
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -140.661
flat angles P-C4'-P energy: -93.773
tors. eta vs tors. theta energy: -188.692
Dist. restrs. and SS energy: 11.188 (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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -2125.668153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.668153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.592354 (E_RNA)
where:
Base-Base interactions energy: -1464.330
where: short stacking energy: -600.966
Base-Backbone interact. energy: 1.042
local terms energy: -675.303796
where:
bonds (distance) C4'-P energy: -116.207
bonds (distance) P-C4' energy: -138.576
flat angles C4'-P-C4' energy: -154.325
flat angles P-C4'-P energy: -90.956
tors. eta vs tors. theta energy: -175.240
Dist. restrs. and SS energy: 12.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1894.210462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.210462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.070557 (E_RNA)
where:
Base-Base interactions energy: -1337.182
where: short stacking energy: -545.328
Base-Backbone interact. energy: -0.266
local terms energy: -580.621985
where:
bonds (distance) C4'-P energy: -102.315
bonds (distance) P-C4' energy: -104.587
flat angles C4'-P-C4' energy: -139.295
flat angles P-C4'-P energy: -83.796
tors. eta vs tors. theta energy: -150.628
Dist. restrs. and SS energy: 23.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2774.266233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.266233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.529013 (E_RNA)
where:
Base-Base interactions energy: -1961.109
where: short stacking energy: -832.813
Base-Backbone interact. energy: -2.055
local terms energy: -814.364490
where:
bonds (distance) C4'-P energy: -142.623
bonds (distance) P-C4' energy: -132.855
flat angles C4'-P-C4' energy: -174.469
flat angles P-C4'-P energy: -115.679
tors. eta vs tors. theta energy: -248.738
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2668.464456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.464456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.578518 (E_RNA)
where:
Base-Base interactions energy: -1867.824
where: short stacking energy: -783.004
Base-Backbone interact. energy: -1.904
local terms energy: -802.850090
where:
bonds (distance) C4'-P energy: -136.108
bonds (distance) P-C4' energy: -147.854
flat angles C4'-P-C4' energy: -170.266
flat angles P-C4'-P energy: -115.371
tors. eta vs tors. theta energy: -233.252
Dist. restrs. and SS energy: 4.114 (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: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2658.299096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.299096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.605647 (E_RNA)
where:
Base-Base interactions energy: -1859.800
where: short stacking energy: -817.533
Base-Backbone interact. energy: -4.383
local terms energy: -800.422704
where:
bonds (distance) C4'-P energy: -123.587
bonds (distance) P-C4' energy: -137.823
flat angles C4'-P-C4' energy: -173.022
flat angles P-C4'-P energy: -123.506
tors. eta vs tors. theta energy: -242.485
Dist. restrs. and SS energy: 6.307 (S_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: 345
Temperature: 1.050000
Total energy: -2513.975135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.975135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.033241 (E_RNA)
where:
Base-Base interactions energy: -1756.734
where: short stacking energy: -719.182
Base-Backbone interact. energy: -2.242
local terms energy: -758.057394
where:
bonds (distance) C4'-P energy: -130.908
bonds (distance) P-C4' energy: -137.654
flat angles C4'-P-C4' energy: -159.315
flat angles P-C4'-P energy: -108.193
tors. eta vs tors. theta energy: -221.988
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: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2438.386280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.386280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.318712 (E_RNA)
where:
Base-Base interactions energy: -1706.777
where: short stacking energy: -709.561
Base-Backbone interact. energy: -3.655
local terms energy: -732.887111
where:
bonds (distance) C4'-P energy: -141.322
bonds (distance) P-C4' energy: -123.889
flat angles C4'-P-C4' energy: -158.365
flat angles P-C4'-P energy: -90.826
tors. eta vs tors. theta energy: -218.485
Dist. restrs. and SS energy: 4.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2388.678479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.678479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.454534 (E_RNA)
where:
Base-Base interactions energy: -1680.363
where: short stacking energy: -711.911
Base-Backbone interact. energy: -3.143
local terms energy: -707.949242
where:
bonds (distance) C4'-P energy: -125.009
bonds (distance) P-C4' energy: -131.869
flat angles C4'-P-C4' energy: -147.942
flat angles P-C4'-P energy: -98.715
tors. eta vs tors. theta energy: -204.414
Dist. restrs. and SS energy: 2.776 (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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2319.477609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.477609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.995276 (E_RNA)
where:
Base-Base interactions energy: -1617.191
where: short stacking energy: -669.123
Base-Backbone interact. energy: -2.812
local terms energy: -707.991678
where:
bonds (distance) C4'-P energy: -127.428
bonds (distance) P-C4' energy: -132.844
flat angles C4'-P-C4' energy: -154.290
flat angles P-C4'-P energy: -96.008
tors. eta vs tors. theta energy: -197.421
Dist. restrs. and SS energy: 8.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2226.624041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.624041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.870811 (E_RNA)
where:
Base-Base interactions energy: -1588.542
where: short stacking energy: -648.456
Base-Backbone interact. energy: -2.937
local terms energy: -642.392285
where:
bonds (distance) C4'-P energy: -107.413
bonds (distance) P-C4' energy: -124.575
flat angles C4'-P-C4' energy: -125.597
flat angles P-C4'-P energy: -96.092
tors. eta vs tors. theta energy: -188.716
Dist. restrs. and SS energy: 7.247 (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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -2029.710172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.468060 (E_RNA)
where:
Base-Base interactions energy: -1455.360
where: short stacking energy: -593.712
Base-Backbone interact. energy: -0.748
local terms energy: -591.360212
where:
bonds (distance) C4'-P energy: -100.355
bonds (distance) P-C4' energy: -129.754
flat angles C4'-P-C4' energy: -119.596
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -164.833
Dist. restrs. and SS energy: 17.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1871.763939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.763939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.639221 (E_RNA)
where:
Base-Base interactions energy: -1332.662
where: short stacking energy: -558.132
Base-Backbone interact. energy: 3.421
local terms energy: -568.399120
where:
bonds (distance) C4'-P energy: -90.050
bonds (distance) P-C4' energy: -121.369
flat angles C4'-P-C4' energy: -121.061
flat angles P-C4'-P energy: -75.599
tors. eta vs tors. theta energy: -160.320
Dist. restrs. and SS energy: 25.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2767.479240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.479240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.095868 (E_RNA)
where:
Base-Base interactions energy: -1961.618
where: short stacking energy: -812.472
Base-Backbone interact. energy: -1.425
local terms energy: -807.052380
where:
bonds (distance) C4'-P energy: -146.602
bonds (distance) P-C4' energy: -139.256
flat angles C4'-P-C4' energy: -160.920
flat angles P-C4'-P energy: -119.188
tors. eta vs tors. theta energy: -241.088
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2649.949402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.949402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.351716 (E_RNA)
where:
Base-Base interactions energy: -1852.880
where: short stacking energy: -778.800
Base-Backbone interact. energy: 0.129
local terms energy: -801.601534
where:
bonds (distance) C4'-P energy: -137.231
bonds (distance) P-C4' energy: -149.995
flat angles C4'-P-C4' energy: -164.301
flat angles P-C4'-P energy: -117.841
tors. eta vs tors. theta energy: -232.234
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: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2632.206084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.206084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.458307 (E_RNA)
where:
Base-Base interactions energy: -1850.571
where: short stacking energy: -797.400
Base-Backbone interact. energy: -1.719
local terms energy: -784.168584
where:
bonds (distance) C4'-P energy: -132.568
bonds (distance) P-C4' energy: -136.473
flat angles C4'-P-C4' energy: -167.102
flat angles P-C4'-P energy: -109.412
tors. eta vs tors. theta energy: -238.613
Dist. restrs. and SS energy: 4.252 (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: 346
Temperature: 1.050000
Total energy: -2501.387836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.387836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.028976 (E_RNA)
where:
Base-Base interactions energy: -1744.277
where: short stacking energy: -726.531
Base-Backbone interact. energy: -4.262
local terms energy: -761.490160
where:
bonds (distance) C4'-P energy: -128.122
bonds (distance) P-C4' energy: -147.171
flat angles C4'-P-C4' energy: -168.830
flat angles P-C4'-P energy: -108.529
tors. eta vs tors. theta energy: -208.839
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2430.032786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.032786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.143466 (E_RNA)
where:
Base-Base interactions energy: -1680.997
where: short stacking energy: -701.078
Base-Backbone interact. energy: -1.289
local terms energy: -751.856474
where:
bonds (distance) C4'-P energy: -134.229
bonds (distance) P-C4' energy: -137.993
flat angles C4'-P-C4' energy: -158.368
flat angles P-C4'-P energy: -100.045
tors. eta vs tors. theta energy: -221.221
Dist. restrs. and SS energy: 4.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2372.235547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.235547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.437935 (E_RNA)
where:
Base-Base interactions energy: -1705.098
where: short stacking energy: -699.298
Base-Backbone interact. energy: 2.553
local terms energy: -676.893094
where:
bonds (distance) C4'-P energy: -105.811
bonds (distance) P-C4' energy: -115.000
flat angles C4'-P-C4' energy: -159.622
flat angles P-C4'-P energy: -100.996
tors. eta vs tors. theta energy: -195.463
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: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2281.948279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.948279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.039066 (E_RNA)
where:
Base-Base interactions energy: -1588.435
where: short stacking energy: -630.605
Base-Backbone interact. energy: -1.575
local terms energy: -698.029118
where:
bonds (distance) C4'-P energy: -117.988
bonds (distance) P-C4' energy: -139.452
flat angles C4'-P-C4' energy: -150.616
flat angles P-C4'-P energy: -98.462
tors. eta vs tors. theta energy: -191.511
Dist. restrs. and SS energy: 6.091 (S_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: -2258.385190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.385190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.034049 (E_RNA)
where:
Base-Base interactions energy: -1574.787
where: short stacking energy: -662.842
Base-Backbone interact. energy: -1.620
local terms energy: -692.626508
where:
bonds (distance) C4'-P energy: -119.006
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -154.707
flat angles P-C4'-P energy: -94.639
tors. eta vs tors. theta energy: -205.518
Dist. restrs. and SS energy: 10.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2029.953273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.953273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.325196 (E_RNA)
where:
Base-Base interactions energy: -1452.861
where: short stacking energy: -589.963
Base-Backbone interact. energy: -1.333
local terms energy: -594.131471
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -115.272
flat angles C4'-P-C4' energy: -133.902
flat angles P-C4'-P energy: -73.736
tors. eta vs tors. theta energy: -155.488
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: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1855.632047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.632047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.694198 (E_RNA)
where:
Base-Base interactions energy: -1289.140
where: short stacking energy: -541.455
Base-Backbone interact. energy: 0.571
local terms energy: -594.125592
where:
bonds (distance) C4'-P energy: -114.520
bonds (distance) P-C4' energy: -118.206
flat angles C4'-P-C4' energy: -136.742
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -150.499
Dist. restrs. and SS energy: 27.062 (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: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2769.810520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.810520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.074158 (E_RNA)
where:
Base-Base interactions energy: -1942.641
where: short stacking energy: -829.735
Base-Backbone interact. energy: -2.286
local terms energy: -827.146855
where:
bonds (distance) C4'-P energy: -137.983
bonds (distance) P-C4' energy: -148.040
flat angles C4'-P-C4' energy: -164.293
flat angles P-C4'-P energy: -131.775
tors. eta vs tors. theta energy: -245.055
Dist. restrs. and SS energy: 2.264 (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: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2669.607328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.607328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.346747 (E_RNA)
where:
Base-Base interactions energy: -1869.210
where: short stacking energy: -795.070
Base-Backbone interact. energy: -3.744
local terms energy: -800.392689
where:
bonds (distance) C4'-P energy: -136.056
bonds (distance) P-C4' energy: -143.421
flat angles C4'-P-C4' energy: -167.541
flat angles P-C4'-P energy: -117.891
tors. eta vs tors. theta energy: -235.484
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2605.376675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.376675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.586623 (E_RNA)
where:
Base-Base interactions energy: -1813.039
where: short stacking energy: -776.953
Base-Backbone interact. energy: -3.317
local terms energy: -793.231408
where:
bonds (distance) C4'-P energy: -133.947
bonds (distance) P-C4' energy: -146.731
flat angles C4'-P-C4' energy: -168.764
flat angles P-C4'-P energy: -105.939
tors. eta vs tors. theta energy: -237.850
Dist. restrs. and SS energy: 4.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2548.010379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.010379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.295318 (E_RNA)
where:
Base-Base interactions energy: -1802.681
where: short stacking energy: -778.593
Base-Backbone interact. energy: -2.103
local terms energy: -747.510773
where:
bonds (distance) C4'-P energy: -138.504
bonds (distance) P-C4' energy: -124.099
flat angles C4'-P-C4' energy: -156.795
flat angles P-C4'-P energy: -96.717
tors. eta vs tors. theta energy: -231.396
Dist. restrs. and SS energy: 4.285 (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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2499.138434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.138434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.028662 (E_RNA)
where:
Base-Base interactions energy: -1739.093
where: short stacking energy: -742.901
Base-Backbone interact. energy: 0.488
local terms energy: -765.423765
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -134.880
flat angles C4'-P-C4' energy: -175.303
flat angles P-C4'-P energy: -112.141
tors. eta vs tors. theta energy: -230.014
Dist. restrs. and SS energy: 4.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2342.920234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.920234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.343495 (E_RNA)
where:
Base-Base interactions energy: -1616.653
where: short stacking energy: -663.654
Base-Backbone interact. energy: -3.201
local terms energy: -730.489964
where:
bonds (distance) C4'-P energy: -121.887
bonds (distance) P-C4' energy: -135.085
flat angles C4'-P-C4' energy: -152.805
flat angles P-C4'-P energy: -105.858
tors. eta vs tors. theta energy: -214.855
Dist. restrs. and SS energy: 7.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2286.618273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.618273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.658135 (E_RNA)
where:
Base-Base interactions energy: -1622.554
where: short stacking energy: -669.999
Base-Backbone interact. energy: -1.768
local terms energy: -667.336604
where:
bonds (distance) C4'-P energy: -130.213
bonds (distance) P-C4' energy: -101.687
flat angles C4'-P-C4' energy: -153.766
flat angles P-C4'-P energy: -92.668
tors. eta vs tors. theta energy: -189.003
Dist. restrs. and SS energy: 5.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2254.973026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.973026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.487476 (E_RNA)
where:
Base-Base interactions energy: -1585.346
where: short stacking energy: -660.350
Base-Backbone interact. energy: -4.767
local terms energy: -671.374416
where:
bonds (distance) C4'-P energy: -132.526
bonds (distance) P-C4' energy: -104.888
flat angles C4'-P-C4' energy: -149.469
flat angles P-C4'-P energy: -84.618
tors. eta vs tors. theta energy: -199.873
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2051.708398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.708398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.802414 (E_RNA)
where:
Base-Base interactions energy: -1428.985
where: short stacking energy: -592.244
Base-Backbone interact. energy: -3.404
local terms energy: -639.413264
where:
bonds (distance) C4'-P energy: -106.060
bonds (distance) P-C4' energy: -120.477
flat angles C4'-P-C4' energy: -150.591
flat angles P-C4'-P energy: -88.592
tors. eta vs tors. theta energy: -173.693
Dist. restrs. and SS energy: 20.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1813.185451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.185451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.918188 (E_RNA)
where:
Base-Base interactions energy: -1308.180
where: short stacking energy: -538.088
Base-Backbone interact. energy: -1.582
local terms energy: -528.155636
where:
bonds (distance) C4'-P energy: -118.948
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -134.900
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -134.964
Dist. restrs. and SS energy: 24.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2783.728995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.728995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.903346 (E_RNA)
where:
Base-Base interactions energy: -1942.963
where: short stacking energy: -813.314
Base-Backbone interact. energy: -3.673
local terms energy: -839.267725
where:
bonds (distance) C4'-P energy: -157.132
bonds (distance) P-C4' energy: -137.289
flat angles C4'-P-C4' energy: -170.147
flat angles P-C4'-P energy: -126.591
tors. eta vs tors. theta energy: -248.109
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2687.684994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.684994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.102830 (E_RNA)
where:
Base-Base interactions energy: -1875.136
where: short stacking energy: -818.567
Base-Backbone interact. energy: -3.352
local terms energy: -812.615024
where:
bonds (distance) C4'-P energy: -137.654
bonds (distance) P-C4' energy: -149.800
flat angles C4'-P-C4' energy: -161.212
flat angles P-C4'-P energy: -113.691
tors. eta vs tors. theta energy: -250.259
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2661.949482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.949482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.564924 (E_RNA)
where:
Base-Base interactions energy: -1897.861
where: short stacking energy: -792.665
Base-Backbone interact. energy: -0.003
local terms energy: -771.701232
where:
bonds (distance) C4'-P energy: -130.187
bonds (distance) P-C4' energy: -140.208
flat angles C4'-P-C4' energy: -153.903
flat angles P-C4'-P energy: -112.836
tors. eta vs tors. theta energy: -234.567
Dist. restrs. and SS energy: 7.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2559.103300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.103300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.479904 (E_RNA)
where:
Base-Base interactions energy: -1789.188
where: short stacking energy: -767.985
Base-Backbone interact. energy: -1.362
local terms energy: -772.930006
where:
bonds (distance) C4'-P energy: -129.469
bonds (distance) P-C4' energy: -150.214
flat angles C4'-P-C4' energy: -165.875
flat angles P-C4'-P energy: -102.273
tors. eta vs tors. theta energy: -225.099
Dist. restrs. and SS energy: 4.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2478.142924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.142924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.097967 (E_RNA)
where:
Base-Base interactions energy: -1733.794
where: short stacking energy: -747.741
Base-Backbone interact. energy: -0.797
local terms energy: -747.507448
where:
bonds (distance) C4'-P energy: -130.075
bonds (distance) P-C4' energy: -121.015
flat angles C4'-P-C4' energy: -154.322
flat angles P-C4'-P energy: -114.387
tors. eta vs tors. theta energy: -227.709
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2384.737662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.737662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.903007 (E_RNA)
where:
Base-Base interactions energy: -1687.701
where: short stacking energy: -719.070
Base-Backbone interact. energy: -0.001
local terms energy: -702.200570
where:
bonds (distance) C4'-P energy: -124.964
bonds (distance) P-C4' energy: -126.985
flat angles C4'-P-C4' energy: -146.069
flat angles P-C4'-P energy: -97.309
tors. eta vs tors. theta energy: -206.874
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2258.664119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.664119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.058316 (E_RNA)
where:
Base-Base interactions energy: -1576.299
where: short stacking energy: -660.697
Base-Backbone interact. energy: 0.508
local terms energy: -696.267459
where:
bonds (distance) C4'-P energy: -124.190
bonds (distance) P-C4' energy: -119.238
flat angles C4'-P-C4' energy: -157.725
flat angles P-C4'-P energy: -96.859
tors. eta vs tors. theta energy: -198.255
Dist. restrs. and SS energy: 13.394 (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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2230.156859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.156859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.658681 (E_RNA)
where:
Base-Base interactions energy: -1566.395
where: short stacking energy: -657.717
Base-Backbone interact. energy: -0.830
local terms energy: -671.433366
where:
bonds (distance) C4'-P energy: -112.758
bonds (distance) P-C4' energy: -109.251
flat angles C4'-P-C4' energy: -139.752
flat angles P-C4'-P energy: -107.324
tors. eta vs tors. theta energy: -202.348
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -2105.186276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.306855 (E_RNA)
where:
Base-Base interactions energy: -1469.171
where: short stacking energy: -608.127
Base-Backbone interact. energy: -2.042
local terms energy: -658.093882
where:
bonds (distance) C4'-P energy: -124.802
bonds (distance) P-C4' energy: -119.410
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -100.201
tors. eta vs tors. theta energy: -179.548
Dist. restrs. and SS energy: 24.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1832.888486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.888486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.081325 (E_RNA)
where:
Base-Base interactions energy: -1294.672
where: short stacking energy: -520.673
Base-Backbone interact. energy: 4.272
local terms energy: -567.681097
where:
bonds (distance) C4'-P energy: -114.424
bonds (distance) P-C4' energy: -124.229
flat angles C4'-P-C4' energy: -121.226
flat angles P-C4'-P energy: -83.161
tors. eta vs tors. theta energy: -124.641
Dist. restrs. and SS energy: 25.193 (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: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2770.554761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.554761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.161454 (E_RNA)
where:
Base-Base interactions energy: -1941.468
where: short stacking energy: -810.107
Base-Backbone interact. energy: -1.714
local terms energy: -829.979031
where:
bonds (distance) C4'-P energy: -130.964
bonds (distance) P-C4' energy: -157.367
flat angles C4'-P-C4' energy: -170.675
flat angles P-C4'-P energy: -125.258
tors. eta vs tors. theta energy: -245.715
Dist. restrs. and SS energy: 2.607 (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: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2663.742244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.742244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.550037 (E_RNA)
where:
Base-Base interactions energy: -1878.607
where: short stacking energy: -789.612
Base-Backbone interact. energy: -4.320
local terms energy: -784.623138
where:
bonds (distance) C4'-P energy: -137.336
bonds (distance) P-C4' energy: -137.087
flat angles C4'-P-C4' energy: -152.851
flat angles P-C4'-P energy: -117.189
tors. eta vs tors. theta energy: -240.160
Dist. restrs. and SS energy: 3.808 (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: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2638.272115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.272115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.904311 (E_RNA)
where:
Base-Base interactions energy: -1856.280
where: short stacking energy: -767.695
Base-Backbone interact. energy: -2.397
local terms energy: -782.227131
where:
bonds (distance) C4'-P energy: -144.234
bonds (distance) P-C4' energy: -125.644
flat angles C4'-P-C4' energy: -171.957
flat angles P-C4'-P energy: -109.750
tors. eta vs tors. theta energy: -230.642
Dist. restrs. and SS energy: 2.632 (S_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: 349
Temperature: 1.050000
Total energy: -2530.415685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.415685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.887766 (E_RNA)
where:
Base-Base interactions energy: -1777.866
where: short stacking energy: -753.881
Base-Backbone interact. energy: -0.230
local terms energy: -755.791105
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -131.843
flat angles C4'-P-C4' energy: -164.333
flat angles P-C4'-P energy: -110.342
tors. eta vs tors. theta energy: -224.146
Dist. restrs. and SS energy: 3.472 (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: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2452.189477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.189477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.942525 (E_RNA)
where:
Base-Base interactions energy: -1705.588
where: short stacking energy: -739.597
Base-Backbone interact. energy: -6.156
local terms energy: -744.198588
where:
bonds (distance) C4'-P energy: -120.420
bonds (distance) P-C4' energy: -139.885
flat angles C4'-P-C4' energy: -157.206
flat angles P-C4'-P energy: -102.080
tors. eta vs tors. theta energy: -224.607
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2399.396641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.396641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.823100 (E_RNA)
where:
Base-Base interactions energy: -1661.657
where: short stacking energy: -696.735
Base-Backbone interact. energy: -3.416
local terms energy: -740.750447
where:
bonds (distance) C4'-P energy: -126.712
bonds (distance) P-C4' energy: -135.234
flat angles C4'-P-C4' energy: -158.636
flat angles P-C4'-P energy: -105.353
tors. eta vs tors. theta energy: -214.814
Dist. restrs. and SS energy: 6.426 (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: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2267.104456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.104456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.501564 (E_RNA)
where:
Base-Base interactions energy: -1637.572
where: short stacking energy: -670.469
Base-Backbone interact. energy: 0.318
local terms energy: -635.247691
where:
bonds (distance) C4'-P energy: -112.628
bonds (distance) P-C4' energy: -101.995
flat angles C4'-P-C4' energy: -148.475
flat angles P-C4'-P energy: -85.426
tors. eta vs tors. theta energy: -186.724
Dist. restrs. and SS energy: 5.397 (S_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: -2236.203481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.203481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.918072 (E_RNA)
where:
Base-Base interactions energy: -1586.434
where: short stacking energy: -663.398
Base-Backbone interact. energy: -2.780
local terms energy: -656.703507
where:
bonds (distance) C4'-P energy: -108.642
bonds (distance) P-C4' energy: -112.759
flat angles C4'-P-C4' energy: -148.656
flat angles P-C4'-P energy: -85.626
tors. eta vs tors. theta energy: -201.021
Dist. restrs. and SS energy: 9.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -2108.364168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.364168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.459446 (E_RNA)
where:
Base-Base interactions energy: -1511.465
where: short stacking energy: -627.679
Base-Backbone interact. energy: -0.400
local terms energy: -610.594401
where:
bonds (distance) C4'-P energy: -89.265
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -137.236
flat angles P-C4'-P energy: -80.017
tors. eta vs tors. theta energy: -182.292
Dist. restrs. and SS energy: 14.095 (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: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1842.899826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.899826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.927719 (E_RNA)
where:
Base-Base interactions energy: -1330.794
where: short stacking energy: -527.386
Base-Backbone interact. energy: -2.617
local terms energy: -532.516413
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -114.798
flat angles C4'-P-C4' energy: -120.408
flat angles P-C4'-P energy: -60.397
tors. eta vs tors. theta energy: -134.043
Dist. restrs. and SS energy: 23.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2781.277755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.277755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.896378 (E_RNA)
where:
Base-Base interactions energy: -1985.638
where: short stacking energy: -834.585
Base-Backbone interact. energy: -2.291
local terms energy: -796.967159
where:
bonds (distance) C4'-P energy: -131.209
bonds (distance) P-C4' energy: -135.229
flat angles C4'-P-C4' energy: -176.023
flat angles P-C4'-P energy: -102.531
tors. eta vs tors. theta energy: -251.975
Dist. restrs. and SS energy: 3.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2652.301657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.301657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.563361 (E_RNA)
where:
Base-Base interactions energy: -1837.858
where: short stacking energy: -793.514
Base-Backbone interact. energy: 0.665
local terms energy: -818.370513
where:
bonds (distance) C4'-P energy: -150.677
bonds (distance) P-C4' energy: -146.438
flat angles C4'-P-C4' energy: -160.683
flat angles P-C4'-P energy: -120.360
tors. eta vs tors. theta energy: -240.214
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2629.189625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.189625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.630912 (E_RNA)
where:
Base-Base interactions energy: -1826.919
where: short stacking energy: -780.520
Base-Backbone interact. energy: -4.986
local terms energy: -800.725589
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -148.115
flat angles C4'-P-C4' energy: -166.475
flat angles P-C4'-P energy: -114.611
tors. eta vs tors. theta energy: -241.013
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2548.849807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.849807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.729494 (E_RNA)
where:
Base-Base interactions energy: -1782.228
where: short stacking energy: -774.711
Base-Backbone interact. energy: 0.284
local terms energy: -770.784975
where:
bonds (distance) C4'-P energy: -135.515
bonds (distance) P-C4' energy: -146.060
flat angles C4'-P-C4' energy: -160.978
flat angles P-C4'-P energy: -97.719
tors. eta vs tors. theta energy: -230.513
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2476.938662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.938662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.071823 (E_RNA)
where:
Base-Base interactions energy: -1719.779
where: short stacking energy: -745.400
Base-Backbone interact. energy: 0.180
local terms energy: -760.473360
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -146.682
flat angles C4'-P-C4' energy: -165.177
flat angles P-C4'-P energy: -98.518
tors. eta vs tors. theta energy: -219.571
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2387.945360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.945360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.146883 (E_RNA)
where:
Base-Base interactions energy: -1712.296
where: short stacking energy: -715.144
Base-Backbone interact. energy: 0.833
local terms energy: -684.684421
where:
bonds (distance) C4'-P energy: -110.603
bonds (distance) P-C4' energy: -126.651
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -85.406
tors. eta vs tors. theta energy: -221.411
Dist. restrs. and SS energy: 8.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2309.026337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.026337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.567772 (E_RNA)
where:
Base-Base interactions energy: -1641.224
where: short stacking energy: -663.471
Base-Backbone interact. energy: -3.622
local terms energy: -673.721841
where:
bonds (distance) C4'-P energy: -115.295
bonds (distance) P-C4' energy: -116.297
flat angles C4'-P-C4' energy: -147.156
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -208.964
Dist. restrs. and SS energy: 9.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -2254.060323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.060323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.818348 (E_RNA)
where:
Base-Base interactions energy: -1586.017
where: short stacking energy: -656.220
Base-Backbone interact. energy: -0.267
local terms energy: -676.534443
where:
bonds (distance) C4'-P energy: -105.078
bonds (distance) P-C4' energy: -130.307
flat angles C4'-P-C4' energy: -149.309
flat angles P-C4'-P energy: -104.387
tors. eta vs tors. theta energy: -187.453
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: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -2140.309166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.309166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.493876 (E_RNA)
where:
Base-Base interactions energy: -1504.822
where: short stacking energy: -650.842
Base-Backbone interact. energy: 5.590
local terms energy: -664.262189
where:
bonds (distance) C4'-P energy: -128.953
bonds (distance) P-C4' energy: -127.455
flat angles C4'-P-C4' energy: -129.145
flat angles P-C4'-P energy: -99.905
tors. eta vs tors. theta energy: -178.805
Dist. restrs. and SS energy: 23.185 (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: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1790.598529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.598529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.961123 (E_RNA)
where:
Base-Base interactions energy: -1270.362
where: short stacking energy: -521.795
Base-Backbone interact. energy: -0.991
local terms energy: -542.608435
where:
bonds (distance) C4'-P energy: -99.649
bonds (distance) P-C4' energy: -126.294
flat angles C4'-P-C4' energy: -111.032
flat angles P-C4'-P energy: -72.800
tors. eta vs tors. theta energy: -132.834
Dist. restrs. and SS energy: 23.363 (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: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2794.826310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.826310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.880821 (E_RNA)
where:
Base-Base interactions energy: -1974.454
where: short stacking energy: -823.373
Base-Backbone interact. energy: -2.213
local terms energy: -823.213966
where:
bonds (distance) C4'-P energy: -142.774
bonds (distance) P-C4' energy: -141.021
flat angles C4'-P-C4' energy: -170.663
flat angles P-C4'-P energy: -127.309
tors. eta vs tors. theta energy: -241.447
Dist. restrs. and SS energy: 5.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2652.530591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.530591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.565676 (E_RNA)
where:
Base-Base interactions energy: -1839.853
where: short stacking energy: -773.182
Base-Backbone interact. energy: -2.702
local terms energy: -814.010308
where:
bonds (distance) C4'-P energy: -154.093
bonds (distance) P-C4' energy: -145.121
flat angles C4'-P-C4' energy: -173.081
flat angles P-C4'-P energy: -101.702
tors. eta vs tors. theta energy: -240.014
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2655.000356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.000356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.195637 (E_RNA)
where:
Base-Base interactions energy: -1846.758
where: short stacking energy: -794.850
Base-Backbone interact. energy: -4.051
local terms energy: -807.386376
where:
bonds (distance) C4'-P energy: -133.517
bonds (distance) P-C4' energy: -144.090
flat angles C4'-P-C4' energy: -170.146
flat angles P-C4'-P energy: -109.451
tors. eta vs tors. theta energy: -250.182
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2562.596943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.596943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.471726 (E_RNA)
where:
Base-Base interactions energy: -1802.267
where: short stacking energy: -758.341
Base-Backbone interact. energy: 1.872
local terms energy: -766.077386
where:
bonds (distance) C4'-P energy: -125.653
bonds (distance) P-C4' energy: -141.331
flat angles C4'-P-C4' energy: -155.463
flat angles P-C4'-P energy: -105.214
tors. eta vs tors. theta energy: -238.417
Dist. restrs. and SS energy: 3.875 (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: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2473.854283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.854283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.571919 (E_RNA)
where:
Base-Base interactions energy: -1737.277
where: short stacking energy: -715.407
Base-Backbone interact. energy: -2.655
local terms energy: -737.639965
where:
bonds (distance) C4'-P energy: -122.566
bonds (distance) P-C4' energy: -132.750
flat angles C4'-P-C4' energy: -156.833
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -217.111
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2364.748715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.748715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.818482 (E_RNA)
where:
Base-Base interactions energy: -1674.901
where: short stacking energy: -700.153
Base-Backbone interact. energy: -1.961
local terms energy: -694.956617
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -115.953
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -93.071
tors. eta vs tors. theta energy: -204.908
Dist. restrs. and SS energy: 7.070 (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: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2306.323568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.323568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.609606 (E_RNA)
where:
Base-Base interactions energy: -1607.722
where: short stacking energy: -685.210
Base-Backbone interact. energy: -3.091
local terms energy: -703.796224
where:
bonds (distance) C4'-P energy: -125.028
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -154.256
flat angles P-C4'-P energy: -93.534
tors. eta vs tors. theta energy: -206.710
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2150.818224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.818224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.923139 (E_RNA)
where:
Base-Base interactions energy: -1509.202
where: short stacking energy: -605.303
Base-Backbone interact. energy: 0.915
local terms energy: -652.635641
where:
bonds (distance) C4'-P energy: -120.011
bonds (distance) P-C4' energy: -106.706
flat angles C4'-P-C4' energy: -157.866
flat angles P-C4'-P energy: -97.693
tors. eta vs tors. theta energy: -170.359
Dist. restrs. and SS energy: 10.105 (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: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -2175.974185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.974185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.531655 (E_RNA)
where:
Base-Base interactions energy: -1534.131
where: short stacking energy: -642.033
Base-Backbone interact. energy: -0.545
local terms energy: -650.855688
where:
bonds (distance) C4'-P energy: -106.719
bonds (distance) P-C4' energy: -111.822
flat angles C4'-P-C4' energy: -150.106
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -192.598
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: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1817.062996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.062996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.075904 (E_RNA)
where:
Base-Base interactions energy: -1286.856
where: short stacking energy: -560.786
Base-Backbone interact. energy: -1.554
local terms energy: -553.666432
where:
bonds (distance) C4'-P energy: -88.754
bonds (distance) P-C4' energy: -119.580
flat angles C4'-P-C4' energy: -124.048
flat angles P-C4'-P energy: -69.260
tors. eta vs tors. theta energy: -152.023
Dist. restrs. and SS energy: 25.013 (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: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2796.164150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.164150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.640634 (E_RNA)
where:
Base-Base interactions energy: -1960.365
where: short stacking energy: -829.697
Base-Backbone interact. energy: -4.023
local terms energy: -834.253125
where:
bonds (distance) C4'-P energy: -129.297
bonds (distance) P-C4' energy: -166.503
flat angles C4'-P-C4' energy: -176.620
flat angles P-C4'-P energy: -122.156
tors. eta vs tors. theta energy: -239.677
Dist. restrs. and SS energy: 2.476 (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: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2672.062531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.062531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.817760 (E_RNA)
where:
Base-Base interactions energy: -1877.639
where: short stacking energy: -793.799
Base-Backbone interact. energy: 1.295
local terms energy: -798.474298
where:
bonds (distance) C4'-P energy: -136.942
bonds (distance) P-C4' energy: -148.251
flat angles C4'-P-C4' energy: -169.305
flat angles P-C4'-P energy: -111.849
tors. eta vs tors. theta energy: -232.127
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2610.094517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.094517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.222486 (E_RNA)
where:
Base-Base interactions energy: -1844.205
where: short stacking energy: -797.667
Base-Backbone interact. energy: -4.188
local terms energy: -764.829353
where:
bonds (distance) C4'-P energy: -143.456
bonds (distance) P-C4' energy: -122.528
flat angles C4'-P-C4' energy: -151.726
flat angles P-C4'-P energy: -112.951
tors. eta vs tors. theta energy: -234.168
Dist. restrs. and SS energy: 3.128 (S_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: 352
Temperature: 1.050000
Total energy: -2547.356678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.356678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.586227 (E_RNA)
where:
Base-Base interactions energy: -1793.784
where: short stacking energy: -749.464
Base-Backbone interact. energy: -1.853
local terms energy: -754.949529
where:
bonds (distance) C4'-P energy: -114.746
bonds (distance) P-C4' energy: -139.675
flat angles C4'-P-C4' energy: -158.389
flat angles P-C4'-P energy: -120.650
tors. eta vs tors. theta energy: -221.489
Dist. restrs. and SS energy: 3.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2492.204848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.204848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.715934 (E_RNA)
where:
Base-Base interactions energy: -1766.206
where: short stacking energy: -731.022
Base-Backbone interact. energy: -0.862
local terms energy: -729.648392
where:
bonds (distance) C4'-P energy: -128.455
bonds (distance) P-C4' energy: -135.569
flat angles C4'-P-C4' energy: -143.624
flat angles P-C4'-P energy: -103.420
tors. eta vs tors. theta energy: -218.581
Dist. restrs. and SS energy: 4.511 (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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2394.810206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.810206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.902309 (E_RNA)
where:
Base-Base interactions energy: -1677.846
where: short stacking energy: -692.913
Base-Backbone interact. energy: -2.110
local terms energy: -725.946009
where:
bonds (distance) C4'-P energy: -143.003
bonds (distance) P-C4' energy: -126.781
flat angles C4'-P-C4' energy: -153.108
flat angles P-C4'-P energy: -103.526
tors. eta vs tors. theta energy: -199.528
Dist. restrs. and SS energy: 11.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2306.583041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.583041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.991571 (E_RNA)
where:
Base-Base interactions energy: -1645.196
where: short stacking energy: -710.415
Base-Backbone interact. energy: 1.411
local terms energy: -673.206414
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -143.533
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -204.172
Dist. restrs. and SS energy: 10.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2175.047322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.047322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.616837 (E_RNA)
where:
Base-Base interactions energy: -1540.093
where: short stacking energy: -636.291
Base-Backbone interact. energy: -0.905
local terms energy: -647.617993
where:
bonds (distance) C4'-P energy: -125.173
bonds (distance) P-C4' energy: -108.647
flat angles C4'-P-C4' energy: -157.280
flat angles P-C4'-P energy: -77.214
tors. eta vs tors. theta energy: -179.304
Dist. restrs. and SS energy: 13.570 (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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -2128.348528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.348528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.618805 (E_RNA)
where:
Base-Base interactions energy: -1497.132
where: short stacking energy: -602.528
Base-Backbone interact. energy: 2.010
local terms energy: -640.496850
where:
bonds (distance) C4'-P energy: -117.550
bonds (distance) P-C4' energy: -142.462
flat angles C4'-P-C4' energy: -134.842
flat angles P-C4'-P energy: -83.363
tors. eta vs tors. theta energy: -162.280
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: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1834.860320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.613819 (E_RNA)
where:
Base-Base interactions energy: -1319.422
where: short stacking energy: -532.192
Base-Backbone interact. energy: 9.393
local terms energy: -549.585069
where:
bonds (distance) C4'-P energy: -112.375
bonds (distance) P-C4' energy: -115.571
flat angles C4'-P-C4' energy: -131.080
flat angles P-C4'-P energy: -66.238
tors. eta vs tors. theta energy: -124.321
Dist. restrs. and SS energy: 24.753 (S_DIST_RNA)
chem. 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: -2767.220710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.220710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.744965 (E_RNA)
where:
Base-Base interactions energy: -1948.407
where: short stacking energy: -843.460
Base-Backbone interact. energy: -3.278
local terms energy: -819.060530
where:
bonds (distance) C4'-P energy: -145.941
bonds (distance) P-C4' energy: -141.146
flat angles C4'-P-C4' energy: -177.344
flat angles P-C4'-P energy: -115.547
tors. eta vs tors. theta energy: -239.082
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2645.205832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.205832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.485989 (E_RNA)
where:
Base-Base interactions energy: -1856.974
where: short stacking energy: -787.725
Base-Backbone interact. energy: -3.268
local terms energy: -788.243902
where:
bonds (distance) C4'-P energy: -147.124
bonds (distance) P-C4' energy: -139.678
flat angles C4'-P-C4' energy: -162.493
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -238.472
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2675.428378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.428378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.062553 (E_RNA)
where:
Base-Base interactions energy: -1878.846
where: short stacking energy: -808.137
Base-Backbone interact. energy: -0.046
local terms energy: -799.170030
where:
bonds (distance) C4'-P energy: -143.223
bonds (distance) P-C4' energy: -146.872
flat angles C4'-P-C4' energy: -162.771
flat angles P-C4'-P energy: -108.911
tors. eta vs tors. theta energy: -237.393
Dist. restrs. and SS energy: 2.634 (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: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2595.523365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.523365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.149611 (E_RNA)
where:
Base-Base interactions energy: -1826.879
where: short stacking energy: -738.292
Base-Backbone interact. energy: -3.468
local terms energy: -769.802115
where:
bonds (distance) C4'-P energy: -140.742
bonds (distance) P-C4' energy: -135.975
flat angles C4'-P-C4' energy: -165.431
flat angles P-C4'-P energy: -104.286
tors. eta vs tors. theta energy: -223.368
Dist. restrs. and SS energy: 4.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2468.586720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.586720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.509217 (E_RNA)
where:
Base-Base interactions energy: -1738.904
where: short stacking energy: -744.313
Base-Backbone interact. energy: -1.538
local terms energy: -731.067168
where:
bonds (distance) C4'-P energy: -125.422
bonds (distance) P-C4' energy: -124.721
flat angles C4'-P-C4' energy: -161.094
flat angles P-C4'-P energy: -98.566
tors. eta vs tors. theta energy: -221.265
Dist. restrs. and SS energy: 2.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2382.575996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.575996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.299892 (E_RNA)
where:
Base-Base interactions energy: -1701.810
where: short stacking energy: -715.831
Base-Backbone interact. energy: 3.695
local terms energy: -691.184631
where:
bonds (distance) C4'-P energy: -102.079
bonds (distance) P-C4' energy: -113.989
flat angles C4'-P-C4' energy: -149.512
flat angles P-C4'-P energy: -114.962
tors. eta vs tors. theta energy: -210.642
Dist. restrs. and SS energy: 6.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2330.655026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.655026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.547476 (E_RNA)
where:
Base-Base interactions energy: -1646.581
where: short stacking energy: -685.269
Base-Backbone interact. energy: -3.013
local terms energy: -689.953429
where:
bonds (distance) C4'-P energy: -122.342
bonds (distance) P-C4' energy: -123.474
flat angles C4'-P-C4' energy: -138.707
flat angles P-C4'-P energy: -93.022
tors. eta vs tors. theta energy: -212.409
Dist. restrs. and SS energy: 8.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2201.144568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.144568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.443731 (E_RNA)
where:
Base-Base interactions energy: -1538.182
where: short stacking energy: -618.710
Base-Backbone interact. energy: -3.519
local terms energy: -665.742840
where:
bonds (distance) C4'-P energy: -137.167
bonds (distance) P-C4' energy: -123.279
flat angles C4'-P-C4' energy: -126.270
flat angles P-C4'-P energy: -89.004
tors. eta vs tors. theta energy: -190.023
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: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -2122.102621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.102621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.146851 (E_RNA)
where:
Base-Base interactions energy: -1508.930
where: short stacking energy: -623.065
Base-Backbone interact. energy: 0.130
local terms energy: -630.347456
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -115.677
flat angles C4'-P-C4' energy: -135.771
flat angles P-C4'-P energy: -97.335
tors. eta vs tors. theta energy: -171.699
Dist. restrs. and SS energy: 17.044 (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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1822.635155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.635155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.777405 (E_RNA)
where:
Base-Base interactions energy: -1318.237
where: short stacking energy: -523.780
Base-Backbone interact. energy: 6.309
local terms energy: -532.848624
where:
bonds (distance) C4'-P energy: -86.267
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -134.391
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -138.377
Dist. restrs. and SS energy: 22.142 (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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2781.881288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.881288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.774477 (E_RNA)
where:
Base-Base interactions energy: -1966.964
where: short stacking energy: -825.361
Base-Backbone interact. energy: -1.697
local terms energy: -818.114204
where:
bonds (distance) C4'-P energy: -154.160
bonds (distance) P-C4' energy: -139.875
flat angles C4'-P-C4' energy: -170.983
flat angles P-C4'-P energy: -117.476
tors. eta vs tors. theta energy: -235.620
Dist. restrs. and SS energy: 4.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2666.180522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.180522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.736831 (E_RNA)
where:
Base-Base interactions energy: -1884.635
where: short stacking energy: -800.136
Base-Backbone interact. energy: -0.551
local terms energy: -784.550063
where:
bonds (distance) C4'-P energy: -135.431
bonds (distance) P-C4' energy: -133.262
flat angles C4'-P-C4' energy: -151.390
flat angles P-C4'-P energy: -126.412
tors. eta vs tors. theta energy: -238.055
Dist. restrs. and SS energy: 3.556 (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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2634.925398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.925398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.757761 (E_RNA)
where:
Base-Base interactions energy: -1858.733
where: short stacking energy: -770.347
Base-Backbone interact. energy: -2.009
local terms energy: -777.015354
where:
bonds (distance) C4'-P energy: -144.678
bonds (distance) P-C4' energy: -144.790
flat angles C4'-P-C4' energy: -159.066
flat angles P-C4'-P energy: -103.056
tors. eta vs tors. theta energy: -225.425
Dist. restrs. and SS energy: 2.832 (S_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: 354
Temperature: 1.050000
Total energy: -2561.912418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.912418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.644200 (E_RNA)
where:
Base-Base interactions energy: -1801.394
where: short stacking energy: -789.426
Base-Backbone interact. energy: 4.760
local terms energy: -773.009324
where:
bonds (distance) C4'-P energy: -136.479
bonds (distance) P-C4' energy: -131.401
flat angles C4'-P-C4' energy: -169.040
flat angles P-C4'-P energy: -103.476
tors. eta vs tors. theta energy: -232.613
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: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2474.427926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.427926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.503278 (E_RNA)
where:
Base-Base interactions energy: -1758.646
where: short stacking energy: -739.411
Base-Backbone interact. energy: -6.194
local terms energy: -713.663011
where:
bonds (distance) C4'-P energy: -96.752
bonds (distance) P-C4' energy: -131.638
flat angles C4'-P-C4' energy: -159.024
flat angles P-C4'-P energy: -101.413
tors. eta vs tors. theta energy: -224.836
Dist. restrs. and SS energy: 4.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2382.369251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.369251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.877680 (E_RNA)
where:
Base-Base interactions energy: -1689.463
where: short stacking energy: -690.257
Base-Backbone interact. energy: 0.282
local terms energy: -698.696446
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -138.670
flat angles C4'-P-C4' energy: -135.189
flat angles P-C4'-P energy: -90.467
tors. eta vs tors. theta energy: -209.783
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2256.632203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.632203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.204588 (E_RNA)
where:
Base-Base interactions energy: -1580.067
where: short stacking energy: -647.876
Base-Backbone interact. energy: 1.650
local terms energy: -686.786622
where:
bonds (distance) C4'-P energy: -120.638
bonds (distance) P-C4' energy: -139.342
flat angles C4'-P-C4' energy: -142.324
flat angles P-C4'-P energy: -93.117
tors. eta vs tors. theta energy: -191.365
Dist. restrs. and SS energy: 8.572 (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: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2224.569819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.569819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.434326 (E_RNA)
where:
Base-Base interactions energy: -1592.114
where: short stacking energy: -647.650
Base-Backbone interact. energy: -0.667
local terms energy: -642.653516
where:
bonds (distance) C4'-P energy: -120.858
bonds (distance) P-C4' energy: -96.070
flat angles C4'-P-C4' energy: -131.828
flat angles P-C4'-P energy: -93.209
tors. eta vs tors. theta energy: -200.689
Dist. restrs. and SS energy: 10.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -2082.107507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.107507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.646413 (E_RNA)
where:
Base-Base interactions energy: -1478.211
where: short stacking energy: -632.650
Base-Backbone interact. energy: -1.793
local terms energy: -612.642953
where:
bonds (distance) C4'-P energy: -114.738
bonds (distance) P-C4' energy: -110.736
flat angles C4'-P-C4' energy: -127.473
flat angles P-C4'-P energy: -80.429
tors. eta vs tors. theta energy: -179.267
Dist. restrs. and SS energy: 10.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1806.547149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.547149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.352001 (E_RNA)
where:
Base-Base interactions energy: -1289.401
where: short stacking energy: -509.711
Base-Backbone interact. energy: 1.779
local terms energy: -550.730312
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -111.922
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -146.000
Dist. restrs. and SS energy: 31.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2786.784276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.784276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.271797 (E_RNA)
where:
Base-Base interactions energy: -1960.355
where: short stacking energy: -839.448
Base-Backbone interact. energy: -1.198
local terms energy: -826.718289
where:
bonds (distance) C4'-P energy: -134.645
bonds (distance) P-C4' energy: -154.401
flat angles C4'-P-C4' energy: -173.969
flat angles P-C4'-P energy: -116.511
tors. eta vs tors. theta energy: -247.193
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2700.525728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.525728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.113492 (E_RNA)
where:
Base-Base interactions energy: -1899.261
where: short stacking energy: -804.639
Base-Backbone interact. energy: -2.208
local terms energy: -802.645292
where:
bonds (distance) C4'-P energy: -141.607
bonds (distance) P-C4' energy: -137.594
flat angles C4'-P-C4' energy: -169.805
flat angles P-C4'-P energy: -114.858
tors. eta vs tors. theta energy: -238.781
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: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2601.941741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.941741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.451508 (E_RNA)
where:
Base-Base interactions energy: -1809.102
where: short stacking energy: -770.749
Base-Backbone interact. energy: -3.780
local terms energy: -793.569463
where:
bonds (distance) C4'-P energy: -161.081
bonds (distance) P-C4' energy: -125.591
flat angles C4'-P-C4' energy: -161.631
flat angles P-C4'-P energy: -107.564
tors. eta vs tors. theta energy: -237.702
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2551.259622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.259622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.055608 (E_RNA)
where:
Base-Base interactions energy: -1820.798
where: short stacking energy: -781.839
Base-Backbone interact. energy: 0.740
local terms energy: -736.997762
where:
bonds (distance) C4'-P energy: -125.387
bonds (distance) P-C4' energy: -134.802
flat angles C4'-P-C4' energy: -148.238
flat angles P-C4'-P energy: -102.395
tors. eta vs tors. theta energy: -226.176
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2456.070055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.070055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.136712 (E_RNA)
where:
Base-Base interactions energy: -1763.568
where: short stacking energy: -730.260
Base-Backbone interact. energy: -0.678
local terms energy: -695.890673
where:
bonds (distance) C4'-P energy: -128.987
bonds (distance) P-C4' energy: -110.262
flat angles C4'-P-C4' energy: -139.377
flat angles P-C4'-P energy: -103.095
tors. eta vs tors. theta energy: -214.170
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2348.623576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.623576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.515898 (E_RNA)
where:
Base-Base interactions energy: -1675.669
where: short stacking energy: -680.062
Base-Backbone interact. energy: -4.273
local terms energy: -675.573583
where:
bonds (distance) C4'-P energy: -111.932
bonds (distance) P-C4' energy: -137.808
flat angles C4'-P-C4' energy: -145.284
flat angles P-C4'-P energy: -85.017
tors. eta vs tors. theta energy: -195.532
Dist. restrs. and SS energy: 6.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2236.129991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.129991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.350350 (E_RNA)
where:
Base-Base interactions energy: -1561.871
where: short stacking energy: -666.899
Base-Backbone interact. energy: -2.192
local terms energy: -681.287575
where:
bonds (distance) C4'-P energy: -118.542
bonds (distance) P-C4' energy: -110.344
flat angles C4'-P-C4' energy: -152.827
flat angles P-C4'-P energy: -111.232
tors. eta vs tors. theta energy: -188.343
Dist. restrs. and SS energy: 9.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2232.049580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.170931 (E_RNA)
where:
Base-Base interactions energy: -1583.123
where: short stacking energy: -655.035
Base-Backbone interact. energy: -2.366
local terms energy: -661.681569
where:
bonds (distance) C4'-P energy: -121.726
bonds (distance) P-C4' energy: -124.895
flat angles C4'-P-C4' energy: -137.417
flat angles P-C4'-P energy: -86.257
tors. eta vs tors. theta energy: -191.387
Dist. restrs. and SS energy: 15.121 (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: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -2157.484434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.484434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.475393 (E_RNA)
where:
Base-Base interactions energy: -1523.458
where: short stacking energy: -641.065
Base-Backbone interact. energy: -0.128
local terms energy: -648.889294
where:
bonds (distance) C4'-P energy: -106.291
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -140.300
flat angles P-C4'-P energy: -96.812
tors. eta vs tors. theta energy: -185.180
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: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1783.371537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.371537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.683807 (E_RNA)
where:
Base-Base interactions energy: -1258.166
where: short stacking energy: -526.059
Base-Backbone interact. energy: -2.901
local terms energy: -551.616595
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -135.196
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -131.052
Dist. restrs. and SS energy: 29.312 (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: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2756.951976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.951976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.978880 (E_RNA)
where:
Base-Base interactions energy: -1939.865
where: short stacking energy: -807.429
Base-Backbone interact. energy: -0.560
local terms energy: -819.553991
where:
bonds (distance) C4'-P energy: -136.921
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -179.635
flat angles P-C4'-P energy: -118.362
tors. eta vs tors. theta energy: -240.771
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2688.579449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.579449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.783691 (E_RNA)
where:
Base-Base interactions energy: -1895.431
where: short stacking energy: -809.877
Base-Backbone interact. energy: -2.971
local terms energy: -794.381305
where:
bonds (distance) C4'-P energy: -132.087
bonds (distance) P-C4' energy: -143.017
flat angles C4'-P-C4' energy: -164.389
flat angles P-C4'-P energy: -116.591
tors. eta vs tors. theta energy: -238.298
Dist. restrs. and SS energy: 4.204 (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: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2568.080721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.080721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.263725 (E_RNA)
where:
Base-Base interactions energy: -1782.160
where: short stacking energy: -766.356
Base-Backbone interact. energy: -0.182
local terms energy: -787.921931
where:
bonds (distance) C4'-P energy: -126.529
bonds (distance) P-C4' energy: -144.118
flat angles C4'-P-C4' energy: -161.699
flat angles P-C4'-P energy: -120.786
tors. eta vs tors. theta energy: -234.791
Dist. restrs. and SS energy: 2.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2557.070895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.070895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.263045 (E_RNA)
where:
Base-Base interactions energy: -1815.390
where: short stacking energy: -777.996
Base-Backbone interact. energy: 3.217
local terms energy: -748.089814
where:
bonds (distance) C4'-P energy: -135.047
bonds (distance) P-C4' energy: -124.377
flat angles C4'-P-C4' energy: -163.698
flat angles P-C4'-P energy: -99.014
tors. eta vs tors. theta energy: -225.953
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2404.064183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.064183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.690722 (E_RNA)
where:
Base-Base interactions energy: -1684.889
where: short stacking energy: -688.708
Base-Backbone interact. energy: -1.551
local terms energy: -724.250909
where:
bonds (distance) C4'-P energy: -131.074
bonds (distance) P-C4' energy: -135.195
flat angles C4'-P-C4' energy: -155.926
flat angles P-C4'-P energy: -97.740
tors. eta vs tors. theta energy: -204.316
Dist. restrs. and SS energy: 6.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2436.496172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.496172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.649077 (E_RNA)
where:
Base-Base interactions energy: -1717.520
where: short stacking energy: -713.208
Base-Backbone interact. energy: -1.880
local terms energy: -720.249243
where:
bonds (distance) C4'-P energy: -115.352
bonds (distance) P-C4' energy: -122.619
flat angles C4'-P-C4' energy: -168.483
flat angles P-C4'-P energy: -110.291
tors. eta vs tors. theta energy: -203.505
Dist. restrs. and SS energy: 3.153 (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: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2246.754190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.754190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.049553 (E_RNA)
where:
Base-Base interactions energy: -1607.922
where: short stacking energy: -666.915
Base-Backbone interact. energy: -2.312
local terms energy: -641.815498
where:
bonds (distance) C4'-P energy: -98.477
bonds (distance) P-C4' energy: -104.738
flat angles C4'-P-C4' energy: -160.155
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -184.499
Dist. restrs. and SS energy: 5.295 (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: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2210.477833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.477833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.044148 (E_RNA)
where:
Base-Base interactions energy: -1568.055
where: short stacking energy: -671.466
Base-Backbone interact. energy: 4.578
local terms energy: -659.566833
where:
bonds (distance) C4'-P energy: -104.884
bonds (distance) P-C4' energy: -129.007
flat angles C4'-P-C4' energy: -140.828
flat angles P-C4'-P energy: -90.489
tors. eta vs tors. theta energy: -194.359
Dist. restrs. and SS energy: 12.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -2074.168277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.168277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.642244 (E_RNA)
where:
Base-Base interactions energy: -1485.722
where: short stacking energy: -625.622
Base-Backbone interact. energy: -1.422
local terms energy: -611.498209
where:
bonds (distance) C4'-P energy: -109.206
bonds (distance) P-C4' energy: -106.587
flat angles C4'-P-C4' energy: -141.833
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -172.029
Dist. restrs. and SS energy: 24.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1825.369837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.369837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.060583 (E_RNA)
where:
Base-Base interactions energy: -1309.516
where: short stacking energy: -537.805
Base-Backbone interact. energy: 0.454
local terms energy: -542.998648
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -117.983
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -136.300
Dist. restrs. and SS energy: 26.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2766.095170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.095170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.048317 (E_RNA)
where:
Base-Base interactions energy: -1970.601
where: short stacking energy: -827.016
Base-Backbone interact. energy: -1.341
local terms energy: -796.105871
where:
bonds (distance) C4'-P energy: -141.944
bonds (distance) P-C4' energy: -138.202
flat angles C4'-P-C4' energy: -158.224
flat angles P-C4'-P energy: -113.164
tors. eta vs tors. theta energy: -244.573
Dist. restrs. and SS energy: 1.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2735.060905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.060905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.581322 (E_RNA)
where:
Base-Base interactions energy: -1935.302
where: short stacking energy: -794.881
Base-Backbone interact. energy: -2.265
local terms energy: -803.014435
where:
bonds (distance) C4'-P energy: -149.138
bonds (distance) P-C4' energy: -142.987
flat angles C4'-P-C4' energy: -169.391
flat angles P-C4'-P energy: -109.689
tors. eta vs tors. theta energy: -231.808
Dist. restrs. and SS energy: 5.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2592.057734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.057734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.738530 (E_RNA)
where:
Base-Base interactions energy: -1811.177
where: short stacking energy: -778.995
Base-Backbone interact. energy: -2.760
local terms energy: -780.801084
where:
bonds (distance) C4'-P energy: -141.157
bonds (distance) P-C4' energy: -144.787
flat angles C4'-P-C4' energy: -156.426
flat angles P-C4'-P energy: -107.976
tors. eta vs tors. theta energy: -230.455
Dist. restrs. and SS energy: 2.681 (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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2526.733768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.733768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.253222 (E_RNA)
where:
Base-Base interactions energy: -1784.289
where: short stacking energy: -740.182
Base-Backbone interact. energy: -1.742
local terms energy: -743.222082
where:
bonds (distance) C4'-P energy: -122.925
bonds (distance) P-C4' energy: -138.249
flat angles C4'-P-C4' energy: -163.575
flat angles P-C4'-P energy: -104.473
tors. eta vs tors. theta energy: -214.000
Dist. restrs. and SS energy: 2.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2444.931060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.931060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.260315 (E_RNA)
where:
Base-Base interactions energy: -1703.056
where: short stacking energy: -704.992
Base-Backbone interact. energy: -1.679
local terms energy: -747.525589
where:
bonds (distance) C4'-P energy: -152.517
bonds (distance) P-C4' energy: -140.807
flat angles C4'-P-C4' energy: -147.418
flat angles P-C4'-P energy: -97.761
tors. eta vs tors. theta energy: -209.022
Dist. restrs. and SS energy: 7.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2380.067904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.067904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.213414 (E_RNA)
where:
Base-Base interactions energy: -1701.320
where: short stacking energy: -702.980
Base-Backbone interact. energy: -3.627
local terms energy: -680.266902
where:
bonds (distance) C4'-P energy: -110.659
bonds (distance) P-C4' energy: -125.621
flat angles C4'-P-C4' energy: -161.381
flat angles P-C4'-P energy: -94.482
tors. eta vs tors. theta energy: -188.125
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: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2270.970335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.970335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.408210 (E_RNA)
where:
Base-Base interactions energy: -1591.035
where: short stacking energy: -690.232
Base-Backbone interact. energy: -1.009
local terms energy: -689.363340
where:
bonds (distance) C4'-P energy: -122.556
bonds (distance) P-C4' energy: -112.783
flat angles C4'-P-C4' energy: -163.556
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -201.902
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: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2203.596075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.596075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.508453 (E_RNA)
where:
Base-Base interactions energy: -1549.307
where: short stacking energy: -648.474
Base-Backbone interact. energy: -2.183
local terms energy: -663.018997
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -125.266
flat angles C4'-P-C4' energy: -136.993
flat angles P-C4'-P energy: -76.528
tors. eta vs tors. theta energy: -198.349
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -2043.862304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.862304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.312776 (E_RNA)
where:
Base-Base interactions energy: -1438.629
where: short stacking energy: -599.204
Base-Backbone interact. energy: 2.257
local terms energy: -636.940763
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -140.690
flat angles C4'-P-C4' energy: -146.448
flat angles P-C4'-P energy: -74.754
tors. eta vs tors. theta energy: -153.898
Dist. restrs. and SS energy: 29.450 (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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1793.338027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.338027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.888326 (E_RNA)
where:
Base-Base interactions energy: -1288.694
where: short stacking energy: -526.785
Base-Backbone interact. energy: -1.631
local terms energy: -529.563142
where:
bonds (distance) C4'-P energy: -101.468
bonds (distance) P-C4' energy: -106.063
flat angles C4'-P-C4' energy: -113.084
flat angles P-C4'-P energy: -72.928
tors. eta vs tors. theta energy: -136.020
Dist. restrs. and SS energy: 26.550 (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: 358
Temperature: 0.900000
Total energy: -2777.754763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.754763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.762435 (E_RNA)
where:
Base-Base interactions energy: -1962.748
where: short stacking energy: -819.691
Base-Backbone interact. energy: -2.386
local terms energy: -817.628305
where:
bonds (distance) C4'-P energy: -153.975
bonds (distance) P-C4' energy: -131.505
flat angles C4'-P-C4' energy: -172.707
flat angles P-C4'-P energy: -118.643
tors. eta vs tors. theta energy: -240.799
Dist. restrs. and SS energy: 5.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2706.220741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.220741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.531103 (E_RNA)
where:
Base-Base interactions energy: -1883.774
where: short stacking energy: -783.294
Base-Backbone interact. energy: -4.089
local terms energy: -822.668167
where:
bonds (distance) C4'-P energy: -142.873
bonds (distance) P-C4' energy: -147.107
flat angles C4'-P-C4' energy: -164.312
flat angles P-C4'-P energy: -131.626
tors. eta vs tors. theta energy: -236.749
Dist. restrs. and SS energy: 4.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2596.501735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.501735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.254064 (E_RNA)
where:
Base-Base interactions energy: -1807.311
where: short stacking energy: -777.036
Base-Backbone interact. energy: -2.317
local terms energy: -789.626191
where:
bonds (distance) C4'-P energy: -137.816
bonds (distance) P-C4' energy: -144.353
flat angles C4'-P-C4' energy: -162.618
flat angles P-C4'-P energy: -112.654
tors. eta vs tors. theta energy: -232.185
Dist. restrs. and SS energy: 2.752 (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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2535.882952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.882952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.395701 (E_RNA)
where:
Base-Base interactions energy: -1795.887
where: short stacking energy: -743.890
Base-Backbone interact. energy: -1.640
local terms energy: -741.869351
where:
bonds (distance) C4'-P energy: -131.348
bonds (distance) P-C4' energy: -124.116
flat angles C4'-P-C4' energy: -162.181
flat angles P-C4'-P energy: -107.493
tors. eta vs tors. theta energy: -216.731
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: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2445.491629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.491629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.923432 (E_RNA)
where:
Base-Base interactions energy: -1690.044
where: short stacking energy: -726.106
Base-Backbone interact. energy: -1.983
local terms energy: -763.897077
where:
bonds (distance) C4'-P energy: -138.429
bonds (distance) P-C4' energy: -140.710
flat angles C4'-P-C4' energy: -168.942
flat angles P-C4'-P energy: -102.754
tors. eta vs tors. theta energy: -213.063
Dist. restrs. and SS energy: 10.432 (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: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2399.990293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.990293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.051976 (E_RNA)
where:
Base-Base interactions energy: -1711.265
where: short stacking energy: -714.063
Base-Backbone interact. energy: 0.327
local terms energy: -693.114568
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -132.805
flat angles C4'-P-C4' energy: -153.553
flat angles P-C4'-P energy: -96.714
tors. eta vs tors. theta energy: -204.084
Dist. restrs. and SS energy: 4.062 (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: 358
Temperature: 1.200000
Total energy: -2289.662859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.662859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.925151 (E_RNA)
where:
Base-Base interactions energy: -1615.530
where: short stacking energy: -689.764
Base-Backbone interact. energy: -3.265
local terms energy: -679.129563
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -130.363
flat angles C4'-P-C4' energy: -151.723
flat angles P-C4'-P energy: -97.952
tors. eta vs tors. theta energy: -196.821
Dist. restrs. and SS energy: 8.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2223.470363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.470363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.634453 (E_RNA)
where:
Base-Base interactions energy: -1581.049
where: short stacking energy: -664.900
Base-Backbone interact. energy: 0.471
local terms energy: -651.056085
where:
bonds (distance) C4'-P energy: -116.743
bonds (distance) P-C4' energy: -104.094
flat angles C4'-P-C4' energy: -143.186
flat angles P-C4'-P energy: -93.623
tors. eta vs tors. theta energy: -193.410
Dist. restrs. and SS energy: 8.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -2092.448000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.448000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.245066 (E_RNA)
where:
Base-Base interactions energy: -1478.805
where: short stacking energy: -625.481
Base-Backbone interact. energy: -0.943
local terms energy: -628.496743
where:
bonds (distance) C4'-P energy: -117.256
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -141.661
flat angles P-C4'-P energy: -82.057
tors. eta vs tors. theta energy: -179.098
Dist. restrs. and SS energy: 15.797 (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: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1842.560028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.560028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.011529 (E_RNA)
where:
Base-Base interactions energy: -1304.545
where: short stacking energy: -532.214
Base-Backbone interact. energy: 2.154
local terms energy: -576.620658
where:
bonds (distance) C4'-P energy: -99.411
bonds (distance) P-C4' energy: -113.954
flat angles C4'-P-C4' energy: -134.715
flat angles P-C4'-P energy: -84.321
tors. eta vs tors. theta energy: -144.220
Dist. restrs. and SS energy: 36.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2763.137828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.137828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.046797 (E_RNA)
where:
Base-Base interactions energy: -1930.766
where: short stacking energy: -790.446
Base-Backbone interact. energy: -1.872
local terms energy: -833.408850
where:
bonds (distance) C4'-P energy: -144.898
bonds (distance) P-C4' energy: -151.926
flat angles C4'-P-C4' energy: -180.157
flat angles P-C4'-P energy: -124.089
tors. eta vs tors. theta energy: -232.338
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2724.263920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.263920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.276170 (E_RNA)
where:
Base-Base interactions energy: -1912.159
where: short stacking energy: -806.247
Base-Backbone interact. energy: -6.765
local terms energy: -812.351997
where:
bonds (distance) C4'-P energy: -156.234
bonds (distance) P-C4' energy: -140.278
flat angles C4'-P-C4' energy: -160.713
flat angles P-C4'-P energy: -115.074
tors. eta vs tors. theta energy: -240.052
Dist. restrs. and SS energy: 7.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2610.573255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.573255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.265890 (E_RNA)
where:
Base-Base interactions energy: -1862.600
where: short stacking energy: -782.590
Base-Backbone interact. energy: -1.905
local terms energy: -749.760354
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -132.713
flat angles C4'-P-C4' energy: -155.478
flat angles P-C4'-P energy: -100.111
tors. eta vs tors. theta energy: -226.642
Dist. restrs. and SS energy: 3.693 (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: 359
Temperature: 1.050000
Total energy: -2454.098520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.579175 (E_RNA)
where:
Base-Base interactions energy: -1719.138
where: short stacking energy: -716.674
Base-Backbone interact. energy: -1.594
local terms energy: -738.846360
where:
bonds (distance) C4'-P energy: -131.675
bonds (distance) P-C4' energy: -135.167
flat angles C4'-P-C4' energy: -149.804
flat angles P-C4'-P energy: -112.524
tors. eta vs tors. theta energy: -209.677
Dist. restrs. and SS energy: 5.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2458.435166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.435166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.060654 (E_RNA)
where:
Base-Base interactions energy: -1724.771
where: short stacking energy: -742.088
Base-Backbone interact. energy: -2.431
local terms energy: -735.858395
where:
bonds (distance) C4'-P energy: -127.419
bonds (distance) P-C4' energy: -127.673
flat angles C4'-P-C4' energy: -152.049
flat angles P-C4'-P energy: -112.913
tors. eta vs tors. theta energy: -215.804
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2381.768347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.768347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.685515 (E_RNA)
where:
Base-Base interactions energy: -1667.649
where: short stacking energy: -707.661
Base-Backbone interact. energy: 0.214
local terms energy: -719.250450
where:
bonds (distance) C4'-P energy: -129.650
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -160.735
flat angles P-C4'-P energy: -98.551
tors. eta vs tors. theta energy: -207.099
Dist. restrs. and SS energy: 4.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2226.130157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.130157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.850763 (E_RNA)
where:
Base-Base interactions energy: -1572.014
where: short stacking energy: -671.177
Base-Backbone interact. energy: 0.930
local terms energy: -668.767340
where:
bonds (distance) C4'-P energy: -99.700
bonds (distance) P-C4' energy: -130.087
flat angles C4'-P-C4' energy: -147.529
flat angles P-C4'-P energy: -92.328
tors. eta vs tors. theta energy: -199.125
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: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2221.897184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.897184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.547712 (E_RNA)
where:
Base-Base interactions energy: -1590.458
where: short stacking energy: -652.624
Base-Backbone interact. energy: 1.817
local terms energy: -643.906419
where:
bonds (distance) C4'-P energy: -126.499
bonds (distance) P-C4' energy: -108.546
flat angles C4'-P-C4' energy: -144.935
flat angles P-C4'-P energy: -71.479
tors. eta vs tors. theta energy: -192.448
Dist. restrs. and SS energy: 10.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -2114.486369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.486369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.931446 (E_RNA)
where:
Base-Base interactions energy: -1518.200
where: short stacking energy: -611.695
Base-Backbone interact. energy: -0.653
local terms energy: -603.078749
where:
bonds (distance) C4'-P energy: -88.417
bonds (distance) P-C4' energy: -114.595
flat angles C4'-P-C4' energy: -124.310
flat angles P-C4'-P energy: -93.923
tors. eta vs tors. theta energy: -181.833
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: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1804.636762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.636762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.774009 (E_RNA)
where:
Base-Base interactions energy: -1318.079
where: short stacking energy: -571.204
Base-Backbone interact. energy: 3.553
local terms energy: -518.248643
where:
bonds (distance) C4'-P energy: -102.050
bonds (distance) P-C4' energy: -84.133
flat angles C4'-P-C4' energy: -115.427
flat angles P-C4'-P energy: -81.641
tors. eta vs tors. theta energy: -134.998
Dist. restrs. and SS energy: 28.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2770.242335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.242335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.903610 (E_RNA)
where:
Base-Base interactions energy: -1950.690
where: short stacking energy: -809.360
Base-Backbone interact. energy: -1.627
local terms energy: -820.587311
where:
bonds (distance) C4'-P energy: -152.534
bonds (distance) P-C4' energy: -142.367
flat angles C4'-P-C4' energy: -169.221
flat angles P-C4'-P energy: -121.078
tors. eta vs tors. theta energy: -235.388
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2700.427936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.427936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.736871 (E_RNA)
where:
Base-Base interactions energy: -1894.187
where: short stacking energy: -789.351
Base-Backbone interact. energy: -3.135
local terms energy: -807.415167
where:
bonds (distance) C4'-P energy: -151.278
bonds (distance) P-C4' energy: -157.740
flat angles C4'-P-C4' energy: -153.080
flat angles P-C4'-P energy: -111.335
tors. eta vs tors. theta energy: -233.982
Dist. restrs. and SS energy: 4.309 (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: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2581.778966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.778966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.987215 (E_RNA)
where:
Base-Base interactions energy: -1832.623
where: short stacking energy: -764.212
Base-Backbone interact. energy: -1.774
local terms energy: -750.590218
where:
bonds (distance) C4'-P energy: -141.178
bonds (distance) P-C4' energy: -125.097
flat angles C4'-P-C4' energy: -151.508
flat angles P-C4'-P energy: -109.871
tors. eta vs tors. theta energy: -222.936
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2472.074732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.074732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.422481 (E_RNA)
where:
Base-Base interactions energy: -1707.132
where: short stacking energy: -728.092
Base-Backbone interact. energy: -0.746
local terms energy: -771.544648
where:
bonds (distance) C4'-P energy: -141.230
bonds (distance) P-C4' energy: -142.226
flat angles C4'-P-C4' energy: -172.684
flat angles P-C4'-P energy: -100.912
tors. eta vs tors. theta energy: -214.493
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: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2475.225531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.225531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.613804 (E_RNA)
where:
Base-Base interactions energy: -1728.959
where: short stacking energy: -729.801
Base-Backbone interact. energy: 0.504
local terms energy: -753.159248
where:
bonds (distance) C4'-P energy: -133.309
bonds (distance) P-C4' energy: -152.754
flat angles C4'-P-C4' energy: -141.107
flat angles P-C4'-P energy: -110.922
tors. eta vs tors. theta energy: -215.068
Dist. restrs. and SS energy: 6.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2403.567546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.567546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.487878 (E_RNA)
where:
Base-Base interactions energy: -1699.063
where: short stacking energy: -709.693
Base-Backbone interact. energy: -5.024
local terms energy: -703.401550
where:
bonds (distance) C4'-P energy: -125.246
bonds (distance) P-C4' energy: -112.679
flat angles C4'-P-C4' energy: -150.130
flat angles P-C4'-P energy: -102.444
tors. eta vs tors. theta energy: -212.903
Dist. restrs. and SS energy: 3.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2257.072616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.072616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.641933 (E_RNA)
where:
Base-Base interactions energy: -1590.537
where: short stacking energy: -635.891
Base-Backbone interact. energy: -1.643
local terms energy: -673.462155
where:
bonds (distance) C4'-P energy: -120.208
bonds (distance) P-C4' energy: -119.717
flat angles C4'-P-C4' energy: -157.242
flat angles P-C4'-P energy: -82.540
tors. eta vs tors. theta energy: -193.755
Dist. restrs. and SS energy: 8.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2171.976714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.976714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.978113 (E_RNA)
where:
Base-Base interactions energy: -1531.127
where: short stacking energy: -629.762
Base-Backbone interact. energy: -1.795
local terms energy: -652.056831
where:
bonds (distance) C4'-P energy: -123.244
bonds (distance) P-C4' energy: -113.765
flat angles C4'-P-C4' energy: -131.681
flat angles P-C4'-P energy: -96.014
tors. eta vs tors. theta energy: -187.353
Dist. restrs. and SS energy: 13.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -2076.891891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.891891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.592029 (E_RNA)
where:
Base-Base interactions energy: -1439.212
where: short stacking energy: -612.789
Base-Backbone interact. energy: -2.211
local terms energy: -648.168965
where:
bonds (distance) C4'-P energy: -121.106
bonds (distance) P-C4' energy: -110.137
flat angles C4'-P-C4' energy: -145.813
flat angles P-C4'-P energy: -90.691
tors. eta vs tors. theta energy: -180.421
Dist. restrs. and SS energy: 12.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1844.701428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.701428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.216804 (E_RNA)
where:
Base-Base interactions energy: -1293.351
where: short stacking energy: -544.109
Base-Backbone interact. energy: -2.159
local terms energy: -581.707268
where:
bonds (distance) C4'-P energy: -104.788
bonds (distance) P-C4' energy: -118.399
flat angles C4'-P-C4' energy: -108.814
flat angles P-C4'-P energy: -98.264
tors. eta vs tors. theta energy: -151.442
Dist. restrs. and SS energy: 32.515 (S_DIST_RNA)
chem. 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: -2770.467949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.467949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.086998 (E_RNA)
where:
Base-Base interactions energy: -1935.662
where: short stacking energy: -823.989
Base-Backbone interact. energy: -4.973
local terms energy: -832.452347
where:
bonds (distance) C4'-P energy: -137.342
bonds (distance) P-C4' energy: -164.574
flat angles C4'-P-C4' energy: -174.482
flat angles P-C4'-P energy: -109.943
tors. eta vs tors. theta energy: -246.111
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2688.577708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.577708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.910475 (E_RNA)
where:
Base-Base interactions energy: -1900.859
where: short stacking energy: -795.136
Base-Backbone interact. energy: -3.510
local terms energy: -790.541880
where:
bonds (distance) C4'-P energy: -138.719
bonds (distance) P-C4' energy: -125.312
flat angles C4'-P-C4' energy: -167.224
flat angles P-C4'-P energy: -116.895
tors. eta vs tors. theta energy: -242.392
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: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2589.389687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.389687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.764168 (E_RNA)
where:
Base-Base interactions energy: -1793.113
where: short stacking energy: -774.654
Base-Backbone interact. energy: 3.886
local terms energy: -804.537469
where:
bonds (distance) C4'-P energy: -135.762
bonds (distance) P-C4' energy: -154.530
flat angles C4'-P-C4' energy: -170.505
flat angles P-C4'-P energy: -106.005
tors. eta vs tors. theta energy: -237.735
Dist. restrs. and SS energy: 4.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2551.734352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.734352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.499804 (E_RNA)
where:
Base-Base interactions energy: -1798.553
where: short stacking energy: -730.434
Base-Backbone interact. energy: -2.256
local terms energy: -755.690539
where:
bonds (distance) C4'-P energy: -144.469
bonds (distance) P-C4' energy: -132.062
flat angles C4'-P-C4' energy: -164.994
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -215.441
Dist. restrs. and SS energy: 4.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2428.869646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.869646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.042731 (E_RNA)
where:
Base-Base interactions energy: -1690.952
where: short stacking energy: -699.427
Base-Backbone interact. energy: 1.941
local terms energy: -748.031903
where:
bonds (distance) C4'-P energy: -128.608
bonds (distance) P-C4' energy: -139.275
flat angles C4'-P-C4' energy: -159.050
flat angles P-C4'-P energy: -110.086
tors. eta vs tors. theta energy: -211.013
Dist. restrs. and SS energy: 8.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2376.044605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.044605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.607788 (E_RNA)
where:
Base-Base interactions energy: -1647.121
where: short stacking energy: -684.401
Base-Backbone interact. energy: 5.172
local terms energy: -739.657973
where:
bonds (distance) C4'-P energy: -141.109
bonds (distance) P-C4' energy: -128.588
flat angles C4'-P-C4' energy: -153.323
flat angles P-C4'-P energy: -101.958
tors. eta vs tors. theta energy: -214.679
Dist. restrs. and SS energy: 5.563 (S_DIST_RNA)
chem. 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: -2264.873943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.873943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.552590 (E_RNA)
where:
Base-Base interactions energy: -1599.156
where: short stacking energy: -685.904
Base-Backbone interact. energy: -2.305
local terms energy: -677.091745
where:
bonds (distance) C4'-P energy: -108.226
bonds (distance) P-C4' energy: -136.044
flat angles C4'-P-C4' energy: -151.791
flat angles P-C4'-P energy: -85.728
tors. eta vs tors. theta energy: -195.302
Dist. restrs. and SS energy: 13.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2199.063192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.063192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.943060 (E_RNA)
where:
Base-Base interactions energy: -1556.602
where: short stacking energy: -643.336
Base-Backbone interact. energy: 3.272
local terms energy: -655.613094
where:
bonds (distance) C4'-P energy: -104.765
bonds (distance) P-C4' energy: -124.163
flat angles C4'-P-C4' energy: -140.693
flat angles P-C4'-P energy: -85.083
tors. eta vs tors. theta energy: -200.909
Dist. restrs. and SS energy: 9.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -2107.059627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.059627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.630547 (E_RNA)
where:
Base-Base interactions energy: -1485.542
where: short stacking energy: -629.231
Base-Backbone interact. energy: 2.456
local terms energy: -633.544922
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -110.453
flat angles C4'-P-C4' energy: -121.808
flat angles P-C4'-P energy: -85.009
tors. eta vs tors. theta energy: -186.177
Dist. restrs. and SS energy: 9.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1882.530253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.530253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.221543 (E_RNA)
where:
Base-Base interactions energy: -1315.265
where: short stacking energy: -549.177
Base-Backbone interact. energy: -4.602
local terms energy: -584.354654
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -122.688
flat angles C4'-P-C4' energy: -125.365
flat angles P-C4'-P energy: -78.943
tors. eta vs tors. theta energy: -156.895
Dist. restrs. and SS energy: 21.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2759.969086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.969086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.689164 (E_RNA)
where:
Base-Base interactions energy: -1936.872
where: short stacking energy: -808.570
Base-Backbone interact. energy: 0.198
local terms energy: -826.015266
where:
bonds (distance) C4'-P energy: -128.232
bonds (distance) P-C4' energy: -159.295
flat angles C4'-P-C4' energy: -170.052
flat angles P-C4'-P energy: -129.992
tors. eta vs tors. theta energy: -238.444
Dist. restrs. and SS energy: 2.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2727.779028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.779028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.520716 (E_RNA)
where:
Base-Base interactions energy: -1929.613
where: short stacking energy: -813.123
Base-Backbone interact. energy: 4.103
local terms energy: -808.011221
where:
bonds (distance) C4'-P energy: -138.778
bonds (distance) P-C4' energy: -136.683
flat angles C4'-P-C4' energy: -168.967
flat angles P-C4'-P energy: -118.400
tors. eta vs tors. theta energy: -245.184
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: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2634.682650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.682650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.772587 (E_RNA)
where:
Base-Base interactions energy: -1829.264
where: short stacking energy: -763.293
Base-Backbone interact. energy: 0.443
local terms energy: -807.951449
where:
bonds (distance) C4'-P energy: -136.058
bonds (distance) P-C4' energy: -136.123
flat angles C4'-P-C4' energy: -173.096
flat angles P-C4'-P energy: -126.532
tors. eta vs tors. theta energy: -236.142
Dist. restrs. and SS energy: 2.090 (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: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2530.629808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.629808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.087334 (E_RNA)
where:
Base-Base interactions energy: -1759.171
where: short stacking energy: -756.827
Base-Backbone interact. energy: -3.498
local terms energy: -771.418294
where:
bonds (distance) C4'-P energy: -144.076
bonds (distance) P-C4' energy: -133.933
flat angles C4'-P-C4' energy: -157.175
flat angles P-C4'-P energy: -107.030
tors. eta vs tors. theta energy: -229.205
Dist. restrs. and SS energy: 3.458 (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: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2471.960250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.960250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.589496 (E_RNA)
where:
Base-Base interactions energy: -1731.630
where: short stacking energy: -736.110
Base-Backbone interact. energy: 1.056
local terms energy: -744.015596
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -129.314
flat angles C4'-P-C4' energy: -166.220
flat angles P-C4'-P energy: -104.641
tors. eta vs tors. theta energy: -218.587
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: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2399.406372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.406372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.383204 (E_RNA)
where:
Base-Base interactions energy: -1670.498
where: short stacking energy: -702.227
Base-Backbone interact. energy: -1.283
local terms energy: -733.602099
where:
bonds (distance) C4'-P energy: -116.892
bonds (distance) P-C4' energy: -134.845
flat angles C4'-P-C4' energy: -157.194
flat angles P-C4'-P energy: -114.208
tors. eta vs tors. theta energy: -210.463
Dist. restrs. and SS energy: 5.977 (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: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2245.572559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.572559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.525532 (E_RNA)
where:
Base-Base interactions energy: -1566.993
where: short stacking energy: -646.420
Base-Backbone interact. energy: -2.652
local terms energy: -682.880698
where:
bonds (distance) C4'-P energy: -128.688
bonds (distance) P-C4' energy: -126.547
flat angles C4'-P-C4' energy: -149.713
flat angles P-C4'-P energy: -86.884
tors. eta vs tors. theta energy: -191.049
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2209.896886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.896886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.840985 (E_RNA)
where:
Base-Base interactions energy: -1547.317
where: short stacking energy: -644.324
Base-Backbone interact. energy: 1.082
local terms energy: -670.605369
where:
bonds (distance) C4'-P energy: -115.730
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -152.084
flat angles P-C4'-P energy: -95.947
tors. eta vs tors. theta energy: -189.612
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -2022.664454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.664454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.194682 (E_RNA)
where:
Base-Base interactions energy: -1437.522
where: short stacking energy: -602.293
Base-Backbone interact. energy: -2.370
local terms energy: -600.302672
where:
bonds (distance) C4'-P energy: -116.429
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -132.039
flat angles P-C4'-P energy: -87.395
tors. eta vs tors. theta energy: -168.997
Dist. restrs. and SS energy: 17.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1824.256825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.256825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.461533 (E_RNA)
where:
Base-Base interactions energy: -1293.258
where: short stacking energy: -526.825
Base-Backbone interact. energy: -1.018
local terms energy: -561.185647
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -120.954
flat angles C4'-P-C4' energy: -124.947
flat angles P-C4'-P energy: -61.951
tors. eta vs tors. theta energy: -133.541
Dist. restrs. and SS energy: 31.205 (S_DIST_RNA)
chem. 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: -2741.950440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.950440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.960849 (E_RNA)
where:
Base-Base interactions energy: -1934.287
where: short stacking energy: -789.341
Base-Backbone interact. energy: -2.679
local terms energy: -806.994210
where:
bonds (distance) C4'-P energy: -139.200
bonds (distance) P-C4' energy: -141.288
flat angles C4'-P-C4' energy: -171.661
flat angles P-C4'-P energy: -120.578
tors. eta vs tors. theta energy: -234.267
Dist. restrs. and SS energy: 2.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2701.968919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.968919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.762673 (E_RNA)
where:
Base-Base interactions energy: -1904.159
where: short stacking energy: -833.928
Base-Backbone interact. energy: -0.797
local terms energy: -800.806283
where:
bonds (distance) C4'-P energy: -144.782
bonds (distance) P-C4' energy: -135.390
flat angles C4'-P-C4' energy: -163.116
flat angles P-C4'-P energy: -106.727
tors. eta vs tors. theta energy: -250.792
Dist. restrs. and SS energy: 3.794 (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: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2661.760308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.760308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.343690 (E_RNA)
where:
Base-Base interactions energy: -1869.676
where: short stacking energy: -803.229
Base-Backbone interact. energy: -1.655
local terms energy: -797.012232
where:
bonds (distance) C4'-P energy: -144.910
bonds (distance) P-C4' energy: -126.099
flat angles C4'-P-C4' energy: -165.872
flat angles P-C4'-P energy: -111.526
tors. eta vs tors. theta energy: -248.605
Dist. restrs. and SS energy: 6.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2552.386248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.386248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.960926 (E_RNA)
where:
Base-Base interactions energy: -1805.417
where: short stacking energy: -753.738
Base-Backbone interact. energy: 0.195
local terms energy: -751.738475
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -129.087
flat angles C4'-P-C4' energy: -168.227
flat angles P-C4'-P energy: -105.040
tors. eta vs tors. theta energy: -223.872
Dist. restrs. and SS energy: 4.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2460.738894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.738894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.681334 (E_RNA)
where:
Base-Base interactions energy: -1737.011
where: short stacking energy: -750.889
Base-Backbone interact. energy: 0.568
local terms energy: -728.237817
where:
bonds (distance) C4'-P energy: -120.814
bonds (distance) P-C4' energy: -128.253
flat angles C4'-P-C4' energy: -161.746
flat angles P-C4'-P energy: -98.312
tors. eta vs tors. theta energy: -219.112
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2381.620053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.620053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.093162 (E_RNA)
where:
Base-Base interactions energy: -1679.132
where: short stacking energy: -713.034
Base-Backbone interact. energy: -1.198
local terms energy: -706.763914
where:
bonds (distance) C4'-P energy: -121.389
bonds (distance) P-C4' energy: -113.879
flat angles C4'-P-C4' energy: -149.582
flat angles P-C4'-P energy: -96.231
tors. eta vs tors. theta energy: -225.683
Dist. restrs. and SS energy: 5.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2271.402841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.402841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.129912 (E_RNA)
where:
Base-Base interactions energy: -1593.142
where: short stacking energy: -674.031
Base-Backbone interact. energy: -1.608
local terms energy: -688.379761
where:
bonds (distance) C4'-P energy: -142.351
bonds (distance) P-C4' energy: -120.852
flat angles C4'-P-C4' energy: -137.636
flat angles P-C4'-P energy: -101.237
tors. eta vs tors. theta energy: -186.304
Dist. restrs. and SS energy: 11.727 (S_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: 363
Temperature: 1.250000
Total energy: -2210.738901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.738901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.440833 (E_RNA)
where:
Base-Base interactions energy: -1559.902
where: short stacking energy: -636.349
Base-Backbone interact. energy: -1.803
local terms energy: -656.736534
where:
bonds (distance) C4'-P energy: -94.917
bonds (distance) P-C4' energy: -126.221
flat angles C4'-P-C4' energy: -137.694
flat angles P-C4'-P energy: -106.451
tors. eta vs tors. theta energy: -191.453
Dist. restrs. and SS energy: 7.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -2110.433658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.433658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.093082 (E_RNA)
where:
Base-Base interactions energy: -1488.522
where: short stacking energy: -615.971
Base-Backbone interact. energy: 2.524
local terms energy: -639.095868
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -110.442
flat angles C4'-P-C4' energy: -145.722
flat angles P-C4'-P energy: -81.545
tors. eta vs tors. theta energy: -189.623
Dist. restrs. and SS energy: 14.659 (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: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1935.946884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.946884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.432118 (E_RNA)
where:
Base-Base interactions energy: -1376.649
where: short stacking energy: -561.677
Base-Backbone interact. energy: -1.263
local terms energy: -576.520088
where:
bonds (distance) C4'-P energy: -116.290
bonds (distance) P-C4' energy: -123.336
flat angles C4'-P-C4' energy: -105.668
flat angles P-C4'-P energy: -84.654
tors. eta vs tors. theta energy: -146.572
Dist. restrs. and SS energy: 18.485 (S_DIST_RNA)
chem. 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: -2770.905794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.905794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.856132 (E_RNA)
where:
Base-Base interactions energy: -1939.860
where: short stacking energy: -813.713
Base-Backbone interact. energy: -2.738
local terms energy: -832.258958
where:
bonds (distance) C4'-P energy: -141.753
bonds (distance) P-C4' energy: -148.445
flat angles C4'-P-C4' energy: -168.833
flat angles P-C4'-P energy: -126.179
tors. eta vs tors. theta energy: -247.049
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: 364
Temperature: 0.950000
Total energy: -2725.837250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.837250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.953833 (E_RNA)
where:
Base-Base interactions energy: -1929.380
where: short stacking energy: -818.167
Base-Backbone interact. energy: -2.929
local terms energy: -796.645115
where:
bonds (distance) C4'-P energy: -127.164
bonds (distance) P-C4' energy: -138.567
flat angles C4'-P-C4' energy: -172.942
flat angles P-C4'-P energy: -116.815
tors. eta vs tors. theta energy: -241.157
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2644.827561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.827561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.487637 (E_RNA)
where:
Base-Base interactions energy: -1831.608
where: short stacking energy: -788.607
Base-Backbone interact. energy: -0.671
local terms energy: -817.208607
where:
bonds (distance) C4'-P energy: -155.905
bonds (distance) P-C4' energy: -152.909
flat angles C4'-P-C4' energy: -150.184
flat angles P-C4'-P energy: -111.935
tors. eta vs tors. theta energy: -246.276
Dist. restrs. and SS energy: 4.660 (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: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2573.423740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.279089 (E_RNA)
where:
Base-Base interactions energy: -1828.180
where: short stacking energy: -769.840
Base-Backbone interact. energy: -1.540
local terms energy: -747.558456
where:
bonds (distance) C4'-P energy: -124.082
bonds (distance) P-C4' energy: -120.771
flat angles C4'-P-C4' energy: -159.971
flat angles P-C4'-P energy: -104.681
tors. eta vs tors. theta energy: -238.053
Dist. restrs. and SS energy: 3.855 (S_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: 364
Temperature: 1.100000
Total energy: -2449.524206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.524206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.157311 (E_RNA)
where:
Base-Base interactions energy: -1706.462
where: short stacking energy: -727.859
Base-Backbone interact. energy: 2.411
local terms energy: -748.105585
where:
bonds (distance) C4'-P energy: -141.989
bonds (distance) P-C4' energy: -144.460
flat angles C4'-P-C4' energy: -148.358
flat angles P-C4'-P energy: -97.602
tors. eta vs tors. theta energy: -215.696
Dist. restrs. and SS energy: 2.633 (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: 364
Temperature: 1.150000
Total energy: -2339.197994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.197994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.622952 (E_RNA)
where:
Base-Base interactions energy: -1621.673
where: short stacking energy: -701.407
Base-Backbone interact. energy: -1.202
local terms energy: -724.748040
where:
bonds (distance) C4'-P energy: -129.281
bonds (distance) P-C4' energy: -127.455
flat angles C4'-P-C4' energy: -145.669
flat angles P-C4'-P energy: -103.181
tors. eta vs tors. theta energy: -219.162
Dist. restrs. and SS energy: 8.425 (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: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2272.363826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.363826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.582599 (E_RNA)
where:
Base-Base interactions energy: -1584.155
where: short stacking energy: -663.941
Base-Backbone interact. energy: -1.235
local terms energy: -694.192514
where:
bonds (distance) C4'-P energy: -129.467
bonds (distance) P-C4' energy: -126.049
flat angles C4'-P-C4' energy: -154.744
flat angles P-C4'-P energy: -84.935
tors. eta vs tors. theta energy: -198.998
Dist. restrs. and SS energy: 7.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2244.545205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.545205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.073379 (E_RNA)
where:
Base-Base interactions energy: -1578.516
where: short stacking energy: -656.101
Base-Backbone interact. energy: 0.718
local terms energy: -675.275393
where:
bonds (distance) C4'-P energy: -118.327
bonds (distance) P-C4' energy: -128.519
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -92.080
tors. eta vs tors. theta energy: -197.085
Dist. restrs. and SS energy: 8.528 (S_DIST_RNA)
chem. 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: -2141.748476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.748476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.341946 (E_RNA)
where:
Base-Base interactions energy: -1528.699
where: short stacking energy: -636.314
Base-Backbone interact. energy: 2.553
local terms energy: -627.195678
where:
bonds (distance) C4'-P energy: -115.068
bonds (distance) P-C4' energy: -78.224
flat angles C4'-P-C4' energy: -139.773
flat angles P-C4'-P energy: -87.598
tors. eta vs tors. theta energy: -206.532
Dist. restrs. and SS energy: 11.593 (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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1919.518811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.518811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.035578 (E_RNA)
where:
Base-Base interactions energy: -1354.644
where: short stacking energy: -553.833
Base-Backbone interact. energy: 6.888
local terms energy: -610.278854
where:
bonds (distance) C4'-P energy: -113.379
bonds (distance) P-C4' energy: -113.735
flat angles C4'-P-C4' energy: -146.279
flat angles P-C4'-P energy: -79.875
tors. eta vs tors. theta energy: -157.010
Dist. restrs. and SS energy: 38.517 (S_DIST_RNA)
chem. 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: -2772.041566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.041566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.573810 (E_RNA)
where:
Base-Base interactions energy: -1938.010
where: short stacking energy: -834.331
Base-Backbone interact. energy: -1.540
local terms energy: -835.024069
where:
bonds (distance) C4'-P energy: -136.881
bonds (distance) P-C4' energy: -154.911
flat angles C4'-P-C4' energy: -174.362
flat angles P-C4'-P energy: -114.304
tors. eta vs tors. theta energy: -254.565
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2720.113719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.113719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.913583 (E_RNA)
where:
Base-Base interactions energy: -1907.805
where: short stacking energy: -806.194
Base-Backbone interact. energy: -3.386
local terms energy: -812.722341
where:
bonds (distance) C4'-P energy: -148.583
bonds (distance) P-C4' energy: -139.936
flat angles C4'-P-C4' energy: -171.916
flat angles P-C4'-P energy: -108.297
tors. eta vs tors. theta energy: -243.991
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2608.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.200817 (E_RNA)
where:
Base-Base interactions energy: -1827.226
where: short stacking energy: -764.617
Base-Backbone interact. energy: 3.065
local terms energy: -789.040109
where:
bonds (distance) C4'-P energy: -146.329
bonds (distance) P-C4' energy: -127.627
flat angles C4'-P-C4' energy: -159.973
flat angles P-C4'-P energy: -121.177
tors. eta vs tors. theta energy: -233.935
Dist. restrs. and SS energy: 4.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2536.069642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.069642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.517973 (E_RNA)
where:
Base-Base interactions energy: -1775.665
where: short stacking energy: -752.449
Base-Backbone interact. energy: -1.901
local terms energy: -762.952553
where:
bonds (distance) C4'-P energy: -143.487
bonds (distance) P-C4' energy: -129.031
flat angles C4'-P-C4' energy: -153.070
flat angles P-C4'-P energy: -111.301
tors. eta vs tors. theta energy: -226.064
Dist. restrs. and SS energy: 4.448 (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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2484.794373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.794373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.628143 (E_RNA)
where:
Base-Base interactions energy: -1718.265
where: short stacking energy: -726.097
Base-Backbone interact. energy: 2.598
local terms energy: -772.961307
where:
bonds (distance) C4'-P energy: -142.302
bonds (distance) P-C4' energy: -140.339
flat angles C4'-P-C4' energy: -158.919
flat angles P-C4'-P energy: -111.580
tors. eta vs tors. theta energy: -219.821
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2366.433620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.433620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.307193 (E_RNA)
where:
Base-Base interactions energy: -1673.890
where: short stacking energy: -698.724
Base-Backbone interact. energy: -2.250
local terms energy: -700.167971
where:
bonds (distance) C4'-P energy: -117.490
bonds (distance) P-C4' energy: -129.191
flat angles C4'-P-C4' energy: -153.276
flat angles P-C4'-P energy: -95.359
tors. eta vs tors. theta energy: -204.851
Dist. restrs. and SS energy: 9.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2269.686456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.686456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.657252 (E_RNA)
where:
Base-Base interactions energy: -1634.517
where: short stacking energy: -685.189
Base-Backbone interact. energy: -1.934
local terms energy: -641.206381
where:
bonds (distance) C4'-P energy: -104.306
bonds (distance) P-C4' energy: -108.886
flat angles C4'-P-C4' energy: -136.267
flat angles P-C4'-P energy: -86.379
tors. eta vs tors. theta energy: -205.368
Dist. restrs. and SS energy: 7.971 (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: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2212.066704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.066704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.205389 (E_RNA)
where:
Base-Base interactions energy: -1564.243
where: short stacking energy: -634.256
Base-Backbone interact. energy: 2.243
local terms energy: -655.205217
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -107.903
flat angles C4'-P-C4' energy: -143.422
flat angles P-C4'-P energy: -86.988
tors. eta vs tors. theta energy: -187.247
Dist. restrs. and SS energy: 5.139 (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: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -2122.512719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.512719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.821850 (E_RNA)
where:
Base-Base interactions energy: -1515.534
where: short stacking energy: -627.622
Base-Backbone interact. energy: -4.091
local terms energy: -614.197236
where:
bonds (distance) C4'-P energy: -125.692
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -126.118
flat angles P-C4'-P energy: -83.160
tors. eta vs tors. theta energy: -183.078
Dist. restrs. and SS energy: 11.309 (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: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1914.956339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.956339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.747810 (E_RNA)
where:
Base-Base interactions energy: -1341.852
where: short stacking energy: -565.655
Base-Backbone interact. energy: -2.591
local terms energy: -596.304284
where:
bonds (distance) C4'-P energy: -103.643
bonds (distance) P-C4' energy: -130.511
flat angles C4'-P-C4' energy: -123.683
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -163.743
Dist. restrs. and SS energy: 25.791 (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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2750.118706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.118706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.100881 (E_RNA)
where:
Base-Base interactions energy: -1894.367
where: short stacking energy: -805.057
Base-Backbone interact. energy: -0.790
local terms energy: -859.943951
where:
bonds (distance) C4'-P energy: -150.654
bonds (distance) P-C4' energy: -164.547
flat angles C4'-P-C4' energy: -164.564
flat angles P-C4'-P energy: -125.307
tors. eta vs tors. theta energy: -254.872
Dist. restrs. and SS energy: 4.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2739.340047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.340047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.734395 (E_RNA)
where:
Base-Base interactions energy: -1942.422
where: short stacking energy: -810.544
Base-Backbone interact. energy: -4.872
local terms energy: -798.440799
where:
bonds (distance) C4'-P energy: -132.784
bonds (distance) P-C4' energy: -137.567
flat angles C4'-P-C4' energy: -164.638
flat angles P-C4'-P energy: -114.804
tors. eta vs tors. theta energy: -248.648
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: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2604.206470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.206470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.333486 (E_RNA)
where:
Base-Base interactions energy: -1829.990
where: short stacking energy: -784.966
Base-Backbone interact. energy: -1.348
local terms energy: -775.995246
where:
bonds (distance) C4'-P energy: -137.549
bonds (distance) P-C4' energy: -140.304
flat angles C4'-P-C4' energy: -166.103
flat angles P-C4'-P energy: -106.632
tors. eta vs tors. theta energy: -225.407
Dist. restrs. and SS energy: 3.127 (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: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2528.326713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.326713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.776562 (E_RNA)
where:
Base-Base interactions energy: -1773.798
where: short stacking energy: -745.870
Base-Backbone interact. energy: 0.747
local terms energy: -759.725575
where:
bonds (distance) C4'-P energy: -142.255
bonds (distance) P-C4' energy: -142.728
flat angles C4'-P-C4' energy: -150.490
flat angles P-C4'-P energy: -105.367
tors. eta vs tors. theta energy: -218.885
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2486.310844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.310844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.515192 (E_RNA)
where:
Base-Base interactions energy: -1761.633
where: short stacking energy: -754.554
Base-Backbone interact. energy: -3.068
local terms energy: -724.814018
where:
bonds (distance) C4'-P energy: -112.587
bonds (distance) P-C4' energy: -126.589
flat angles C4'-P-C4' energy: -153.148
flat angles P-C4'-P energy: -109.288
tors. eta vs tors. theta energy: -223.202
Dist. restrs. and SS energy: 3.204 (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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2362.109912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.109912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.031600 (E_RNA)
where:
Base-Base interactions energy: -1650.616
where: short stacking energy: -684.660
Base-Backbone interact. energy: -2.856
local terms energy: -715.558710
where:
bonds (distance) C4'-P energy: -135.198
bonds (distance) P-C4' energy: -130.037
flat angles C4'-P-C4' energy: -149.105
flat angles P-C4'-P energy: -99.114
tors. eta vs tors. theta energy: -202.106
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2243.807689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.807689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.205140 (E_RNA)
where:
Base-Base interactions energy: -1633.979
where: short stacking energy: -681.563
Base-Backbone interact. energy: 3.832
local terms energy: -629.058084
where:
bonds (distance) C4'-P energy: -100.268
bonds (distance) P-C4' energy: -91.743
flat angles C4'-P-C4' energy: -146.795
flat angles P-C4'-P energy: -83.985
tors. eta vs tors. theta energy: -206.267
Dist. restrs. and SS energy: 15.397 (S_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: 366
Temperature: 1.250000
Total energy: -2240.242740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.242740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.479336 (E_RNA)
where:
Base-Base interactions energy: -1605.422
where: short stacking energy: -679.503
Base-Backbone interact. energy: 0.474
local terms energy: -646.531448
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -128.716
flat angles C4'-P-C4' energy: -133.960
flat angles P-C4'-P energy: -86.486
tors. eta vs tors. theta energy: -195.454
Dist. restrs. and SS energy: 11.237 (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: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -2097.009524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.009524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.586495 (E_RNA)
where:
Base-Base interactions energy: -1500.288
where: short stacking energy: -617.086
Base-Backbone interact. energy: -1.361
local terms energy: -604.938079
where:
bonds (distance) C4'-P energy: -101.973
bonds (distance) P-C4' energy: -108.659
flat angles C4'-P-C4' energy: -135.809
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -175.437
Dist. restrs. and SS energy: 9.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1889.564314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.564314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.559136 (E_RNA)
where:
Base-Base interactions energy: -1325.245
where: short stacking energy: -529.830
Base-Backbone interact. energy: 3.788
local terms energy: -598.102139
where:
bonds (distance) C4'-P energy: -116.713
bonds (distance) P-C4' energy: -102.896
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -75.450
tors. eta vs tors. theta energy: -161.049
Dist. restrs. and SS energy: 29.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2771.619091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.619091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.137853 (E_RNA)
where:
Base-Base interactions energy: -1924.334
where: short stacking energy: -826.338
Base-Backbone interact. energy: -4.210
local terms energy: -846.594663
where:
bonds (distance) C4'-P energy: -156.906
bonds (distance) P-C4' energy: -143.240
flat angles C4'-P-C4' energy: -169.296
flat angles P-C4'-P energy: -128.686
tors. eta vs tors. theta energy: -248.467
Dist. restrs. and SS energy: 3.519 (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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2711.283391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.283391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.529934 (E_RNA)
where:
Base-Base interactions energy: -1905.170
where: short stacking energy: -807.483
Base-Backbone interact. energy: -2.472
local terms energy: -807.887807
where:
bonds (distance) C4'-P energy: -137.827
bonds (distance) P-C4' energy: -142.754
flat angles C4'-P-C4' energy: -166.638
flat angles P-C4'-P energy: -120.245
tors. eta vs tors. theta energy: -240.424
Dist. restrs. and SS energy: 4.247 (S_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: 367
Temperature: 1.000000
Total energy: -2623.581280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.581280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.831576 (E_RNA)
where:
Base-Base interactions energy: -1855.495
where: short stacking energy: -787.124
Base-Backbone interact. energy: 4.040
local terms energy: -776.376498
where:
bonds (distance) C4'-P energy: -123.762
bonds (distance) P-C4' energy: -135.186
flat angles C4'-P-C4' energy: -169.023
flat angles P-C4'-P energy: -112.775
tors. eta vs tors. theta energy: -235.632
Dist. restrs. and SS energy: 4.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2526.775673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.775673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.399976 (E_RNA)
where:
Base-Base interactions energy: -1753.752
where: short stacking energy: -728.383
Base-Backbone interact. energy: -4.582
local terms energy: -772.066599
where:
bonds (distance) C4'-P energy: -129.856
bonds (distance) P-C4' energy: -142.360
flat angles C4'-P-C4' energy: -155.690
flat angles P-C4'-P energy: -118.406
tors. eta vs tors. theta energy: -225.755
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2472.606628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.606628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.327651 (E_RNA)
where:
Base-Base interactions energy: -1727.022
where: short stacking energy: -709.664
Base-Backbone interact. energy: -2.349
local terms energy: -747.956946
where:
bonds (distance) C4'-P energy: -123.011
bonds (distance) P-C4' energy: -134.062
flat angles C4'-P-C4' energy: -160.357
flat angles P-C4'-P energy: -105.601
tors. eta vs tors. theta energy: -224.925
Dist. restrs. and SS energy: 4.721 (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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2341.261079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.261079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.074196 (E_RNA)
where:
Base-Base interactions energy: -1651.731
where: short stacking energy: -711.216
Base-Backbone interact. energy: 6.076
local terms energy: -702.419071
where:
bonds (distance) C4'-P energy: -136.441
bonds (distance) P-C4' energy: -138.355
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -79.230
tors. eta vs tors. theta energy: -208.312
Dist. restrs. and SS energy: 6.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2276.539191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.539191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.947436 (E_RNA)
where:
Base-Base interactions energy: -1655.178
where: short stacking energy: -695.200
Base-Backbone interact. energy: -2.625
local terms energy: -634.144228
where:
bonds (distance) C4'-P energy: -112.348
bonds (distance) P-C4' energy: -106.578
flat angles C4'-P-C4' energy: -120.904
flat angles P-C4'-P energy: -92.596
tors. eta vs tors. theta energy: -201.719
Dist. restrs. and SS energy: 15.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2204.835889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.835889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.845872 (E_RNA)
where:
Base-Base interactions energy: -1574.217
where: short stacking energy: -643.350
Base-Backbone interact. energy: -3.556
local terms energy: -643.072769
where:
bonds (distance) C4'-P energy: -111.420
bonds (distance) P-C4' energy: -112.637
flat angles C4'-P-C4' energy: -135.092
flat angles P-C4'-P energy: -98.879
tors. eta vs tors. theta energy: -185.044
Dist. restrs. and SS energy: 16.010 (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: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2225.860564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.860564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.972735 (E_RNA)
where:
Base-Base interactions energy: -1590.073
where: short stacking energy: -653.247
Base-Backbone interact. energy: 1.106
local terms energy: -643.005456
where:
bonds (distance) C4'-P energy: -92.863
bonds (distance) P-C4' energy: -119.181
flat angles C4'-P-C4' energy: -131.343
flat angles P-C4'-P energy: -104.627
tors. eta vs tors. theta energy: -194.992
Dist. restrs. and SS energy: 6.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1900.914937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.914937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.898312 (E_RNA)
where:
Base-Base interactions energy: -1330.761
where: short stacking energy: -569.568
Base-Backbone interact. energy: 2.947
local terms energy: -589.084519
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -114.032
flat angles C4'-P-C4' energy: -138.116
flat angles P-C4'-P energy: -74.282
tors. eta vs tors. theta energy: -149.386
Dist. restrs. and SS energy: 15.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2776.006203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.006203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.776854 (E_RNA)
where:
Base-Base interactions energy: -1914.670
where: short stacking energy: -821.224
Base-Backbone interact. energy: 1.602
local terms energy: -866.708204
where:
bonds (distance) C4'-P energy: -161.112
bonds (distance) P-C4' energy: -146.805
flat angles C4'-P-C4' energy: -168.984
flat angles P-C4'-P energy: -132.439
tors. eta vs tors. theta energy: -257.370
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2710.440389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.440389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.001182 (E_RNA)
where:
Base-Base interactions energy: -1897.834
where: short stacking energy: -785.178
Base-Backbone interact. energy: -1.503
local terms energy: -813.663961
where:
bonds (distance) C4'-P energy: -153.497
bonds (distance) P-C4' energy: -144.193
flat angles C4'-P-C4' energy: -176.986
flat angles P-C4'-P energy: -98.732
tors. eta vs tors. theta energy: -240.256
Dist. restrs. and SS energy: 2.561 (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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2610.573128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.573128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.431575 (E_RNA)
where:
Base-Base interactions energy: -1814.926
where: short stacking energy: -782.654
Base-Backbone interact. energy: -4.422
local terms energy: -795.084151
where:
bonds (distance) C4'-P energy: -124.615
bonds (distance) P-C4' energy: -140.317
flat angles C4'-P-C4' energy: -167.331
flat angles P-C4'-P energy: -124.346
tors. eta vs tors. theta energy: -238.475
Dist. restrs. and SS energy: 3.858 (S_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: 368
Temperature: 1.050000
Total energy: -2538.043889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.043889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.528777 (E_RNA)
where:
Base-Base interactions energy: -1795.627
where: short stacking energy: -770.787
Base-Backbone interact. energy: -1.889
local terms energy: -744.013529
where:
bonds (distance) C4'-P energy: -120.309
bonds (distance) P-C4' energy: -128.315
flat angles C4'-P-C4' energy: -167.388
flat angles P-C4'-P energy: -105.454
tors. eta vs tors. theta energy: -222.547
Dist. restrs. and SS energy: 3.485 (S_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: 368
Temperature: 1.100000
Total energy: -2494.707064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.707064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.863697 (E_RNA)
where:
Base-Base interactions energy: -1766.192
where: short stacking energy: -723.085
Base-Backbone interact. energy: -4.213
local terms energy: -728.459235
where:
bonds (distance) C4'-P energy: -132.169
bonds (distance) P-C4' energy: -123.958
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -87.797
tors. eta vs tors. theta energy: -224.873
Dist. restrs. and SS energy: 4.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2344.849181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.849181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.663916 (E_RNA)
where:
Base-Base interactions energy: -1678.012
where: short stacking energy: -716.659
Base-Backbone interact. energy: -0.612
local terms energy: -671.039538
where:
bonds (distance) C4'-P energy: -129.795
bonds (distance) P-C4' energy: -111.784
flat angles C4'-P-C4' energy: -134.413
flat angles P-C4'-P energy: -85.392
tors. eta vs tors. theta energy: -209.655
Dist. restrs. and SS energy: 4.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2251.277777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.277777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.419065 (E_RNA)
where:
Base-Base interactions energy: -1573.897
where: short stacking energy: -650.466
Base-Backbone interact. energy: -2.375
local terms energy: -682.147966
where:
bonds (distance) C4'-P energy: -119.784
bonds (distance) P-C4' energy: -142.858
flat angles C4'-P-C4' energy: -149.956
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -186.405
Dist. restrs. and SS energy: 7.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2163.354528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.354528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.792141 (E_RNA)
where:
Base-Base interactions energy: -1547.996
where: short stacking energy: -631.698
Base-Backbone interact. energy: -1.290
local terms energy: -626.506597
where:
bonds (distance) C4'-P energy: -114.845
bonds (distance) P-C4' energy: -113.706
flat angles C4'-P-C4' energy: -131.222
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -189.840
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: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -2185.617204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.617204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.251941 (E_RNA)
where:
Base-Base interactions energy: -1555.526
where: short stacking energy: -638.863
Base-Backbone interact. energy: -3.921
local terms energy: -632.804310
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -113.146
flat angles C4'-P-C4' energy: -150.860
flat angles P-C4'-P energy: -79.278
tors. eta vs tors. theta energy: -192.349
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1964.399194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.399194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.993234 (E_RNA)
where:
Base-Base interactions energy: -1368.545
where: short stacking energy: -584.040
Base-Backbone interact. energy: 1.467
local terms energy: -620.915286
where:
bonds (distance) C4'-P energy: -109.322
bonds (distance) P-C4' energy: -112.912
flat angles C4'-P-C4' energy: -146.266
flat angles P-C4'-P energy: -90.314
tors. eta vs tors. theta energy: -162.102
Dist. restrs. and SS energy: 23.594 (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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2754.161416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.306646 (E_RNA)
where:
Base-Base interactions energy: -1934.382
where: short stacking energy: -817.243
Base-Backbone interact. energy: -2.013
local terms energy: -822.911475
where:
bonds (distance) C4'-P energy: -139.596
bonds (distance) P-C4' energy: -144.521
flat angles C4'-P-C4' energy: -175.987
flat angles P-C4'-P energy: -114.690
tors. eta vs tors. theta energy: -248.117
Dist. restrs. and SS energy: 5.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2728.500883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.500883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.434680 (E_RNA)
where:
Base-Base interactions energy: -1934.554
where: short stacking energy: -826.292
Base-Backbone interact. energy: -3.785
local terms energy: -794.095667
where:
bonds (distance) C4'-P energy: -143.693
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -153.337
flat angles P-C4'-P energy: -110.981
tors. eta vs tors. theta energy: -249.165
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: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2636.910288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.910288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.546026 (E_RNA)
where:
Base-Base interactions energy: -1857.112
where: short stacking energy: -787.338
Base-Backbone interact. energy: 0.863
local terms energy: -785.297402
where:
bonds (distance) C4'-P energy: -134.093
bonds (distance) P-C4' energy: -132.100
flat angles C4'-P-C4' energy: -168.665
flat angles P-C4'-P energy: -110.367
tors. eta vs tors. theta energy: -240.072
Dist. restrs. and SS energy: 4.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2541.932905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.932905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.779529 (E_RNA)
where:
Base-Base interactions energy: -1777.793
where: short stacking energy: -771.185
Base-Backbone interact. energy: -3.361
local terms energy: -763.625157
where:
bonds (distance) C4'-P energy: -127.466
bonds (distance) P-C4' energy: -136.581
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -110.923
tors. eta vs tors. theta energy: -226.541
Dist. restrs. and SS energy: 2.847 (S_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: 369
Temperature: 1.100000
Total energy: -2497.010969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.010969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.666195 (E_RNA)
where:
Base-Base interactions energy: -1765.583
where: short stacking energy: -718.644
Base-Backbone interact. energy: -2.494
local terms energy: -732.588810
where:
bonds (distance) C4'-P energy: -137.749
bonds (distance) P-C4' energy: -138.791
flat angles C4'-P-C4' energy: -146.072
flat angles P-C4'-P energy: -94.396
tors. eta vs tors. theta energy: -215.581
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: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2328.184691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.184691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.025783 (E_RNA)
where:
Base-Base interactions energy: -1642.302
where: short stacking energy: -684.494
Base-Backbone interact. energy: -3.689
local terms energy: -694.034816
where:
bonds (distance) C4'-P energy: -112.835
bonds (distance) P-C4' energy: -117.555
flat angles C4'-P-C4' energy: -153.093
flat angles P-C4'-P energy: -112.478
tors. eta vs tors. theta energy: -198.074
Dist. restrs. and SS energy: 11.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2260.110587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.110587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.226266 (E_RNA)
where:
Base-Base interactions energy: -1601.225
where: short stacking energy: -655.842
Base-Backbone interact. energy: 3.938
local terms energy: -673.939637
where:
bonds (distance) C4'-P energy: -121.169
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -148.281
flat angles P-C4'-P energy: -95.154
tors. eta vs tors. theta energy: -184.182
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2199.732063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.732063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.194632 (E_RNA)
where:
Base-Base interactions energy: -1559.565
where: short stacking energy: -676.518
Base-Backbone interact. energy: -2.795
local terms energy: -646.834105
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -112.812
flat angles C4'-P-C4' energy: -137.454
flat angles P-C4'-P energy: -69.221
tors. eta vs tors. theta energy: -199.192
Dist. restrs. and SS energy: 9.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -2184.173594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.173594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.849749 (E_RNA)
where:
Base-Base interactions energy: -1562.990
where: short stacking energy: -630.895
Base-Backbone interact. energy: -2.092
local terms energy: -625.767341
where:
bonds (distance) C4'-P energy: -122.165
bonds (distance) P-C4' energy: -119.285
flat angles C4'-P-C4' energy: -135.049
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -170.679
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: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1977.516712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.516712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.697046 (E_RNA)
where:
Base-Base interactions energy: -1438.202
where: short stacking energy: -598.142
Base-Backbone interact. energy: -5.234
local terms energy: -555.261904
where:
bonds (distance) C4'-P energy: -110.668
bonds (distance) P-C4' energy: -99.540
flat angles C4'-P-C4' energy: -124.142
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -151.849
Dist. restrs. and SS energy: 21.180 (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: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2737.687275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.687275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.170824 (E_RNA)
where:
Base-Base interactions energy: -1943.228
where: short stacking energy: -810.435
Base-Backbone interact. energy: -5.287
local terms energy: -792.656027
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -134.462
flat angles C4'-P-C4' energy: -158.901
flat angles P-C4'-P energy: -112.527
tors. eta vs tors. theta energy: -242.459
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2731.397777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.397777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.821182 (E_RNA)
where:
Base-Base interactions energy: -1936.222
where: short stacking energy: -823.395
Base-Backbone interact. energy: -3.694
local terms energy: -794.905572
where:
bonds (distance) C4'-P energy: -150.663
bonds (distance) P-C4' energy: -144.362
flat angles C4'-P-C4' energy: -157.197
flat angles P-C4'-P energy: -112.032
tors. eta vs tors. theta energy: -230.651
Dist. restrs. and SS energy: 3.423 (S_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: 370
Temperature: 1.000000
Total energy: -2582.593205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.593205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.786143 (E_RNA)
where:
Base-Base interactions energy: -1816.268
where: short stacking energy: -761.345
Base-Backbone interact. energy: -5.455
local terms energy: -765.062615
where:
bonds (distance) C4'-P energy: -152.826
bonds (distance) P-C4' energy: -132.945
flat angles C4'-P-C4' energy: -159.472
flat angles P-C4'-P energy: -95.305
tors. eta vs tors. theta energy: -224.514
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: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2554.310332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.310332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.459973 (E_RNA)
where:
Base-Base interactions energy: -1794.540
where: short stacking energy: -761.328
Base-Backbone interact. energy: -4.943
local terms energy: -759.976799
where:
bonds (distance) C4'-P energy: -125.766
bonds (distance) P-C4' energy: -130.932
flat angles C4'-P-C4' energy: -170.347
flat angles P-C4'-P energy: -110.291
tors. eta vs tors. theta energy: -222.641
Dist. restrs. and SS energy: 5.150 (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: 370
Temperature: 1.100000
Total energy: -2476.368016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.368016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.695212 (E_RNA)
where:
Base-Base interactions energy: -1734.623
where: short stacking energy: -750.110
Base-Backbone interact. energy: -1.378
local terms energy: -744.694454
where:
bonds (distance) C4'-P energy: -125.799
bonds (distance) P-C4' energy: -148.154
flat angles C4'-P-C4' energy: -153.251
flat angles P-C4'-P energy: -93.150
tors. eta vs tors. theta energy: -224.340
Dist. restrs. and SS energy: 4.327 (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: 370
Temperature: 1.150000
Total energy: -2363.124419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.124419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.758159 (E_RNA)
where:
Base-Base interactions energy: -1659.103
where: short stacking energy: -716.093
Base-Backbone interact. energy: -3.986
local terms energy: -706.669454
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -125.852
flat angles C4'-P-C4' energy: -154.893
flat angles P-C4'-P energy: -92.327
tors. eta vs tors. theta energy: -207.797
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: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2221.963217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.963217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.360114 (E_RNA)
where:
Base-Base interactions energy: -1567.548
where: short stacking energy: -649.175
Base-Backbone interact. energy: 0.094
local terms energy: -657.906813
where:
bonds (distance) C4'-P energy: -114.079
bonds (distance) P-C4' energy: -120.524
flat angles C4'-P-C4' energy: -130.768
flat angles P-C4'-P energy: -108.149
tors. eta vs tors. theta energy: -184.387
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. 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: -2220.950599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.950599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.394276 (E_RNA)
where:
Base-Base interactions energy: -1576.063
where: short stacking energy: -669.113
Base-Backbone interact. energy: 1.745
local terms energy: -658.076767
where:
bonds (distance) C4'-P energy: -118.163
bonds (distance) P-C4' energy: -115.036
flat angles C4'-P-C4' energy: -135.122
flat angles P-C4'-P energy: -87.043
tors. eta vs tors. theta energy: -202.712
Dist. restrs. and SS energy: 11.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -2159.684362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.684362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.256940 (E_RNA)
where:
Base-Base interactions energy: -1529.417
where: short stacking energy: -636.158
Base-Backbone interact. energy: -2.613
local terms energy: -642.226626
where:
bonds (distance) C4'-P energy: -116.129
bonds (distance) P-C4' energy: -107.498
flat angles C4'-P-C4' energy: -144.302
flat angles P-C4'-P energy: -82.349
tors. eta vs tors. theta energy: -191.949
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: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1969.877069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.877069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.803444 (E_RNA)
where:
Base-Base interactions energy: -1377.523
where: short stacking energy: -571.948
Base-Backbone interact. energy: -1.091
local terms energy: -611.189207
where:
bonds (distance) C4'-P energy: -133.363
bonds (distance) P-C4' energy: -119.337
flat angles C4'-P-C4' energy: -108.570
flat angles P-C4'-P energy: -84.414
tors. eta vs tors. theta energy: -165.505
Dist. restrs. and SS energy: 19.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2746.101742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.101742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.147103 (E_RNA)
where:
Base-Base interactions energy: -1928.564
where: short stacking energy: -801.576
Base-Backbone interact. energy: -1.772
local terms energy: -818.811618
where:
bonds (distance) C4'-P energy: -150.375
bonds (distance) P-C4' energy: -150.284
flat angles C4'-P-C4' energy: -158.204
flat angles P-C4'-P energy: -129.208
tors. eta vs tors. theta energy: -230.740
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2727.116360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.116360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.955858 (E_RNA)
where:
Base-Base interactions energy: -1904.511
where: short stacking energy: -831.564
Base-Backbone interact. energy: -1.427
local terms energy: -826.018137
where:
bonds (distance) C4'-P energy: -141.329
bonds (distance) P-C4' energy: -134.778
flat angles C4'-P-C4' energy: -177.114
flat angles P-C4'-P energy: -124.080
tors. eta vs tors. theta energy: -248.718
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: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2584.606854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.606854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.496648 (E_RNA)
where:
Base-Base interactions energy: -1825.611
where: short stacking energy: -755.787
Base-Backbone interact. energy: 0.015
local terms energy: -761.900327
where:
bonds (distance) C4'-P energy: -143.536
bonds (distance) P-C4' energy: -123.638
flat angles C4'-P-C4' energy: -158.412
flat angles P-C4'-P energy: -108.075
tors. eta vs tors. theta energy: -228.240
Dist. restrs. and SS energy: 2.890 (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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2552.649385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.649385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.202838 (E_RNA)
where:
Base-Base interactions energy: -1783.219
where: short stacking energy: -745.536
Base-Backbone interact. energy: 0.097
local terms energy: -772.080601
where:
bonds (distance) C4'-P energy: -131.172
bonds (distance) P-C4' energy: -124.564
flat angles C4'-P-C4' energy: -173.612
flat angles P-C4'-P energy: -111.997
tors. eta vs tors. theta energy: -230.735
Dist. restrs. and SS energy: 2.553 (S_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: 371
Temperature: 1.100000
Total energy: -2487.362002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.362002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.128050 (E_RNA)
where:
Base-Base interactions energy: -1743.097
where: short stacking energy: -732.077
Base-Backbone interact. energy: -5.827
local terms energy: -742.204004
where:
bonds (distance) C4'-P energy: -120.511
bonds (distance) P-C4' energy: -132.429
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -222.055
Dist. restrs. and SS energy: 3.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2361.498151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.498151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.707217 (E_RNA)
where:
Base-Base interactions energy: -1669.787
where: short stacking energy: -705.551
Base-Backbone interact. energy: 0.984
local terms energy: -702.904819
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -120.152
flat angles C4'-P-C4' energy: -145.305
flat angles P-C4'-P energy: -96.338
tors. eta vs tors. theta energy: -212.834
Dist. restrs. and SS energy: 10.209 (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: 371
Temperature: 1.200000
Total energy: -2249.013868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.013868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.453924 (E_RNA)
where:
Base-Base interactions energy: -1623.742
where: short stacking energy: -646.063
Base-Backbone interact. energy: -0.025
local terms energy: -634.686877
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -113.886
flat angles C4'-P-C4' energy: -131.412
flat angles P-C4'-P energy: -91.128
tors. eta vs tors. theta energy: -184.108
Dist. restrs. and SS energy: 9.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2205.272873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.272873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.502410 (E_RNA)
where:
Base-Base interactions energy: -1591.204
where: short stacking energy: -659.305
Base-Backbone interact. energy: 3.231
local terms energy: -631.528776
where:
bonds (distance) C4'-P energy: -103.423
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -150.354
flat angles P-C4'-P energy: -89.916
tors. eta vs tors. theta energy: -183.651
Dist. restrs. and SS energy: 14.230 (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: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -2139.737638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.737638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.056896 (E_RNA)
where:
Base-Base interactions energy: -1511.927
where: short stacking energy: -630.182
Base-Backbone interact. energy: 0.412
local terms energy: -637.541779
where:
bonds (distance) C4'-P energy: -138.152
bonds (distance) P-C4' energy: -97.986
flat angles C4'-P-C4' energy: -142.139
flat angles P-C4'-P energy: -67.697
tors. eta vs tors. theta energy: -191.567
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: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1863.588275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.588275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.426455 (E_RNA)
where:
Base-Base interactions energy: -1317.163
where: short stacking energy: -526.269
Base-Backbone interact. energy: -1.047
local terms energy: -572.216057
where:
bonds (distance) C4'-P energy: -96.134
bonds (distance) P-C4' energy: -125.276
flat angles C4'-P-C4' energy: -118.166
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -146.454
Dist. restrs. and SS energy: 26.838 (S_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: 372
Temperature: 0.900000
Total energy: -2752.848823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.848823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.665759 (E_RNA)
where:
Base-Base interactions energy: -1954.414
where: short stacking energy: -814.347
Base-Backbone interact. energy: -5.418
local terms energy: -796.832838
where:
bonds (distance) C4'-P energy: -148.095
bonds (distance) P-C4' energy: -150.687
flat angles C4'-P-C4' energy: -158.180
flat angles P-C4'-P energy: -102.367
tors. eta vs tors. theta energy: -237.504
Dist. restrs. and SS energy: 3.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2687.744770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.744770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.606465 (E_RNA)
where:
Base-Base interactions energy: -1893.375
where: short stacking energy: -811.866
Base-Backbone interact. energy: -1.410
local terms energy: -795.821139
where:
bonds (distance) C4'-P energy: -135.404
bonds (distance) P-C4' energy: -138.158
flat angles C4'-P-C4' energy: -158.485
flat angles P-C4'-P energy: -122.413
tors. eta vs tors. theta energy: -241.361
Dist. restrs. and SS energy: 2.862 (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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2597.075044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.075044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.083441 (E_RNA)
where:
Base-Base interactions energy: -1834.892
where: short stacking energy: -767.592
Base-Backbone interact. energy: 0.764
local terms energy: -766.954984
where:
bonds (distance) C4'-P energy: -138.301
bonds (distance) P-C4' energy: -126.230
flat angles C4'-P-C4' energy: -163.878
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -225.410
Dist. restrs. and SS energy: 4.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2570.876721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.876721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.597508 (E_RNA)
where:
Base-Base interactions energy: -1792.341
where: short stacking energy: -770.491
Base-Backbone interact. energy: -3.864
local terms energy: -780.391892
where:
bonds (distance) C4'-P energy: -128.275
bonds (distance) P-C4' energy: -131.235
flat angles C4'-P-C4' energy: -164.069
flat angles P-C4'-P energy: -119.850
tors. eta vs tors. theta energy: -236.963
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: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2494.905986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.907775 (E_RNA)
where:
Base-Base interactions energy: -1729.413
where: short stacking energy: -734.423
Base-Backbone interact. energy: -3.260
local terms energy: -764.234074
where:
bonds (distance) C4'-P energy: -145.524
bonds (distance) P-C4' energy: -135.061
flat angles C4'-P-C4' energy: -146.466
flat angles P-C4'-P energy: -112.080
tors. eta vs tors. theta energy: -225.103
Dist. restrs. and SS energy: 2.002 (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: 372
Temperature: 1.150000
Total energy: -2351.814790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.814790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.652483 (E_RNA)
where:
Base-Base interactions energy: -1627.605
where: short stacking energy: -673.351
Base-Backbone interact. energy: -1.672
local terms energy: -729.375778
where:
bonds (distance) C4'-P energy: -125.565
bonds (distance) P-C4' energy: -137.967
flat angles C4'-P-C4' energy: -154.876
flat angles P-C4'-P energy: -96.328
tors. eta vs tors. theta energy: -214.641
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: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2282.724278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.724278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.697524 (E_RNA)
where:
Base-Base interactions energy: -1630.852
where: short stacking energy: -683.973
Base-Backbone interact. energy: -3.186
local terms energy: -654.659109
where:
bonds (distance) C4'-P energy: -109.047
bonds (distance) P-C4' energy: -128.633
flat angles C4'-P-C4' energy: -143.213
flat angles P-C4'-P energy: -87.486
tors. eta vs tors. theta energy: -186.279
Dist. restrs. and SS energy: 5.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2282.496771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.496771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.598845 (E_RNA)
where:
Base-Base interactions energy: -1605.083
where: short stacking energy: -659.444
Base-Backbone interact. energy: -2.700
local terms energy: -683.815483
where:
bonds (distance) C4'-P energy: -116.994
bonds (distance) P-C4' energy: -117.291
flat angles C4'-P-C4' energy: -141.998
flat angles P-C4'-P energy: -109.161
tors. eta vs tors. theta energy: -198.371
Dist. restrs. and SS energy: 9.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -2148.296423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.296423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.434393 (E_RNA)
where:
Base-Base interactions energy: -1499.713
where: short stacking energy: -609.468
Base-Backbone interact. energy: -1.854
local terms energy: -660.867826
where:
bonds (distance) C4'-P energy: -122.483
bonds (distance) P-C4' energy: -128.847
flat angles C4'-P-C4' energy: -139.909
flat angles P-C4'-P energy: -82.892
tors. eta vs tors. theta energy: -186.736
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: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1853.348092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.348092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.770264 (E_RNA)
where:
Base-Base interactions energy: -1307.308
where: short stacking energy: -528.295
Base-Backbone interact. energy: 0.399
local terms energy: -581.860647
where:
bonds (distance) C4'-P energy: -104.729
bonds (distance) P-C4' energy: -103.513
flat angles C4'-P-C4' energy: -123.296
flat angles P-C4'-P energy: -94.494
tors. eta vs tors. theta energy: -155.828
Dist. restrs. and SS energy: 35.422 (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: 373
Temperature: 0.900000
Total energy: -2764.809085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.809085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.635448 (E_RNA)
where:
Base-Base interactions energy: -1951.571
where: short stacking energy: -819.452
Base-Backbone interact. energy: -4.036
local terms energy: -812.028355
where:
bonds (distance) C4'-P energy: -145.679
bonds (distance) P-C4' energy: -156.563
flat angles C4'-P-C4' energy: -167.353
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -239.624
Dist. restrs. and SS energy: 2.826 (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: 373
Temperature: 0.950000
Total energy: -2698.039553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.039553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.670339 (E_RNA)
where:
Base-Base interactions energy: -1897.004
where: short stacking energy: -821.637
Base-Backbone interact. energy: -3.319
local terms energy: -802.347774
where:
bonds (distance) C4'-P energy: -142.497
bonds (distance) P-C4' energy: -131.805
flat angles C4'-P-C4' energy: -175.250
flat angles P-C4'-P energy: -113.595
tors. eta vs tors. theta energy: -239.202
Dist. restrs. and SS energy: 4.631 (S_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: 373
Temperature: 1.000000
Total energy: -2617.674487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.674487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.897518 (E_RNA)
where:
Base-Base interactions energy: -1855.799
where: short stacking energy: -786.300
Base-Backbone interact. energy: -2.275
local terms energy: -762.824167
where:
bonds (distance) C4'-P energy: -137.046
bonds (distance) P-C4' energy: -123.530
flat angles C4'-P-C4' energy: -168.344
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -231.049
Dist. restrs. and SS energy: 3.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2550.784020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.784020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.711220 (E_RNA)
where:
Base-Base interactions energy: -1801.536
where: short stacking energy: -758.122
Base-Backbone interact. energy: -0.914
local terms energy: -753.261473
where:
bonds (distance) C4'-P energy: -119.459
bonds (distance) P-C4' energy: -142.124
flat angles C4'-P-C4' energy: -154.002
flat angles P-C4'-P energy: -112.855
tors. eta vs tors. theta energy: -224.821
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: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2487.977777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.977777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.088396 (E_RNA)
where:
Base-Base interactions energy: -1760.387
where: short stacking energy: -758.068
Base-Backbone interact. energy: -4.027
local terms energy: -730.673652
where:
bonds (distance) C4'-P energy: -122.987
bonds (distance) P-C4' energy: -124.810
flat angles C4'-P-C4' energy: -163.710
flat angles P-C4'-P energy: -96.930
tors. eta vs tors. theta energy: -222.237
Dist. restrs. and SS energy: 7.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2311.765117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.765117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.408806 (E_RNA)
where:
Base-Base interactions energy: -1598.923
where: short stacking energy: -688.217
Base-Backbone interact. energy: -1.727
local terms energy: -723.758736
where:
bonds (distance) C4'-P energy: -130.741
bonds (distance) P-C4' energy: -127.654
flat angles C4'-P-C4' energy: -154.189
flat angles P-C4'-P energy: -103.114
tors. eta vs tors. theta energy: -208.062
Dist. restrs. and SS energy: 12.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2293.148160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.148160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.467989 (E_RNA)
where:
Base-Base interactions energy: -1640.975
where: short stacking energy: -688.833
Base-Backbone interact. energy: -1.155
local terms energy: -661.338074
where:
bonds (distance) C4'-P energy: -117.648
bonds (distance) P-C4' energy: -116.795
flat angles C4'-P-C4' energy: -129.042
flat angles P-C4'-P energy: -95.843
tors. eta vs tors. theta energy: -202.010
Dist. restrs. and SS energy: 10.320 (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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2217.052874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.052874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.092595 (E_RNA)
where:
Base-Base interactions energy: -1576.504
where: short stacking energy: -648.687
Base-Backbone interact. energy: -2.479
local terms energy: -650.109824
where:
bonds (distance) C4'-P energy: -90.180
bonds (distance) P-C4' energy: -127.786
flat angles C4'-P-C4' energy: -147.499
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -195.820
Dist. restrs. and SS energy: 12.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -2124.295440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.295440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.800184 (E_RNA)
where:
Base-Base interactions energy: -1519.613
where: short stacking energy: -626.396
Base-Backbone interact. energy: -3.095
local terms energy: -613.091937
where:
bonds (distance) C4'-P energy: -105.502
bonds (distance) P-C4' energy: -93.459
flat angles C4'-P-C4' energy: -145.443
flat angles P-C4'-P energy: -86.126
tors. eta vs tors. theta energy: -182.562
Dist. restrs. and SS energy: 11.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1933.281788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.281788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.527752 (E_RNA)
where:
Base-Base interactions energy: -1363.201
where: short stacking energy: -557.615
Base-Backbone interact. energy: 6.595
local terms energy: -601.921960
where:
bonds (distance) C4'-P energy: -126.261
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -128.340
flat angles P-C4'-P energy: -66.770
tors. eta vs tors. theta energy: -154.804
Dist. restrs. and SS energy: 25.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2794.673597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.673597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.719092 (E_RNA)
where:
Base-Base interactions energy: -1956.995
where: short stacking energy: -822.412
Base-Backbone interact. energy: -4.373
local terms energy: -836.351057
where:
bonds (distance) C4'-P energy: -143.059
bonds (distance) P-C4' energy: -160.452
flat angles C4'-P-C4' energy: -173.516
flat angles P-C4'-P energy: -117.947
tors. eta vs tors. theta energy: -241.377
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2702.076129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.076129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.457562 (E_RNA)
where:
Base-Base interactions energy: -1895.660
where: short stacking energy: -812.452
Base-Backbone interact. energy: -3.209
local terms energy: -808.588471
where:
bonds (distance) C4'-P energy: -142.226
bonds (distance) P-C4' energy: -129.725
flat angles C4'-P-C4' energy: -170.621
flat angles P-C4'-P energy: -125.698
tors. eta vs tors. theta energy: -240.318
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: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2572.894207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.894207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.389628 (E_RNA)
where:
Base-Base interactions energy: -1844.188
where: short stacking energy: -775.178
Base-Backbone interact. energy: -2.303
local terms energy: -730.897967
where:
bonds (distance) C4'-P energy: -113.147
bonds (distance) P-C4' energy: -143.070
flat angles C4'-P-C4' energy: -161.838
flat angles P-C4'-P energy: -99.479
tors. eta vs tors. theta energy: -213.363
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: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2523.544188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.544188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.955379 (E_RNA)
where:
Base-Base interactions energy: -1765.598
where: short stacking energy: -745.543
Base-Backbone interact. energy: -1.227
local terms energy: -761.130555
where:
bonds (distance) C4'-P energy: -129.013
bonds (distance) P-C4' energy: -132.239
flat angles C4'-P-C4' energy: -167.292
flat angles P-C4'-P energy: -112.770
tors. eta vs tors. theta energy: -219.817
Dist. restrs. and SS energy: 4.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2474.038405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.038405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.341642 (E_RNA)
where:
Base-Base interactions energy: -1743.547
where: short stacking energy: -732.114
Base-Backbone interact. energy: -0.461
local terms energy: -734.333760
where:
bonds (distance) C4'-P energy: -117.774
bonds (distance) P-C4' energy: -136.105
flat angles C4'-P-C4' energy: -159.477
flat angles P-C4'-P energy: -101.798
tors. eta vs tors. theta energy: -219.179
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2339.135791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.135791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.845839 (E_RNA)
where:
Base-Base interactions energy: -1658.347
where: short stacking energy: -680.062
Base-Backbone interact. energy: -0.448
local terms energy: -688.050974
where:
bonds (distance) C4'-P energy: -119.074
bonds (distance) P-C4' energy: -126.087
flat angles C4'-P-C4' energy: -151.461
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -204.071
Dist. restrs. and SS energy: 7.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2320.606242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.606242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.838033 (E_RNA)
where:
Base-Base interactions energy: -1622.174
where: short stacking energy: -687.441
Base-Backbone interact. energy: 5.014
local terms energy: -710.678264
where:
bonds (distance) C4'-P energy: -134.995
bonds (distance) P-C4' energy: -141.413
flat angles C4'-P-C4' energy: -148.205
flat angles P-C4'-P energy: -77.548
tors. eta vs tors. theta energy: -208.517
Dist. restrs. and SS energy: 7.232 (S_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: -2215.656649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.656649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.928024 (E_RNA)
where:
Base-Base interactions energy: -1570.421
where: short stacking energy: -676.144
Base-Backbone interact. energy: 1.612
local terms energy: -662.118868
where:
bonds (distance) C4'-P energy: -119.197
bonds (distance) P-C4' energy: -119.114
flat angles C4'-P-C4' energy: -147.268
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -190.850
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: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -2126.195376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.195376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.313110 (E_RNA)
where:
Base-Base interactions energy: -1522.416
where: short stacking energy: -649.160
Base-Backbone interact. energy: 4.746
local terms energy: -617.643649
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -101.778
flat angles C4'-P-C4' energy: -133.199
flat angles P-C4'-P energy: -69.774
tors. eta vs tors. theta energy: -204.291
Dist. restrs. and SS energy: 9.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1844.329221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.329221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.647456 (E_RNA)
where:
Base-Base interactions energy: -1306.086
where: short stacking energy: -537.304
Base-Backbone interact. energy: -4.258
local terms energy: -559.304009
where:
bonds (distance) C4'-P energy: -121.170
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -122.072
flat angles P-C4'-P energy: -57.669
tors. eta vs tors. theta energy: -142.694
Dist. restrs. and SS energy: 25.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2775.997808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.997808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.484056 (E_RNA)
where:
Base-Base interactions energy: -1953.070
where: short stacking energy: -824.026
Base-Backbone interact. energy: -2.758
local terms energy: -825.655197
where:
bonds (distance) C4'-P energy: -151.535
bonds (distance) P-C4' energy: -151.664
flat angles C4'-P-C4' energy: -174.170
flat angles P-C4'-P energy: -108.002
tors. eta vs tors. theta energy: -240.284
Dist. restrs. and SS energy: 5.486 (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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2716.325911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.325911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.013882 (E_RNA)
where:
Base-Base interactions energy: -1900.422
where: short stacking energy: -812.138
Base-Backbone interact. energy: -2.546
local terms energy: -816.045891
where:
bonds (distance) C4'-P energy: -147.272
bonds (distance) P-C4' energy: -135.893
flat angles C4'-P-C4' energy: -169.449
flat angles P-C4'-P energy: -117.830
tors. eta vs tors. theta energy: -245.602
Dist. restrs. and SS energy: 2.688 (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: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2574.208147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.208147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.298302 (E_RNA)
where:
Base-Base interactions energy: -1801.331
where: short stacking energy: -753.411
Base-Backbone interact. energy: -1.046
local terms energy: -775.921471
where:
bonds (distance) C4'-P energy: -150.772
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -162.454
flat angles P-C4'-P energy: -100.036
tors. eta vs tors. theta energy: -226.801
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2542.471358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.471358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.999888 (E_RNA)
where:
Base-Base interactions energy: -1786.003
where: short stacking energy: -754.788
Base-Backbone interact. energy: 2.378
local terms energy: -763.374907
where:
bonds (distance) C4'-P energy: -127.818
bonds (distance) P-C4' energy: -129.588
flat angles C4'-P-C4' energy: -169.026
flat angles P-C4'-P energy: -114.464
tors. eta vs tors. theta energy: -222.479
Dist. restrs. and SS energy: 4.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2487.073188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.073188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.925762 (E_RNA)
where:
Base-Base interactions energy: -1733.384
where: short stacking energy: -715.173
Base-Backbone interact. energy: -1.177
local terms energy: -759.365171
where:
bonds (distance) C4'-P energy: -138.131
bonds (distance) P-C4' energy: -137.115
flat angles C4'-P-C4' energy: -160.169
flat angles P-C4'-P energy: -107.285
tors. eta vs tors. theta energy: -216.665
Dist. restrs. and SS energy: 6.853 (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: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2394.790178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.790178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.139704 (E_RNA)
where:
Base-Base interactions energy: -1703.272
where: short stacking energy: -695.991
Base-Backbone interact. energy: -1.798
local terms energy: -698.069276
where:
bonds (distance) C4'-P energy: -106.315
bonds (distance) P-C4' energy: -139.314
flat angles C4'-P-C4' energy: -150.343
flat angles P-C4'-P energy: -95.790
tors. eta vs tors. theta energy: -206.307
Dist. restrs. and SS energy: 8.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2330.728849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.728849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.574633 (E_RNA)
where:
Base-Base interactions energy: -1637.324
where: short stacking energy: -667.235
Base-Backbone interact. energy: 2.872
local terms energy: -701.123262
where:
bonds (distance) C4'-P energy: -138.100
bonds (distance) P-C4' energy: -122.446
flat angles C4'-P-C4' energy: -148.958
flat angles P-C4'-P energy: -92.434
tors. eta vs tors. theta energy: -199.185
Dist. restrs. and SS energy: 4.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2263.657880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.657880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.223426 (E_RNA)
where:
Base-Base interactions energy: -1592.831
where: short stacking energy: -648.540
Base-Backbone interact. energy: -1.683
local terms energy: -677.709798
where:
bonds (distance) C4'-P energy: -129.100
bonds (distance) P-C4' energy: -123.450
flat angles C4'-P-C4' energy: -138.994
flat angles P-C4'-P energy: -83.247
tors. eta vs tors. theta energy: -202.920
Dist. restrs. and SS energy: 8.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -2142.222768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.222768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.536345 (E_RNA)
where:
Base-Base interactions energy: -1522.881
where: short stacking energy: -622.339
Base-Backbone interact. energy: -1.390
local terms energy: -635.264985
where:
bonds (distance) C4'-P energy: -92.051
bonds (distance) P-C4' energy: -114.198
flat angles C4'-P-C4' energy: -152.453
flat angles P-C4'-P energy: -101.974
tors. eta vs tors. theta energy: -174.589
Dist. restrs. and SS energy: 17.314 (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: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1853.780497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.780497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.840556 (E_RNA)
where:
Base-Base interactions energy: -1326.045
where: short stacking energy: -525.435
Base-Backbone interact. energy: -2.001
local terms energy: -548.794154
where:
bonds (distance) C4'-P energy: -87.906
bonds (distance) P-C4' energy: -119.625
flat angles C4'-P-C4' energy: -118.292
flat angles P-C4'-P energy: -86.060
tors. eta vs tors. theta energy: -136.913
Dist. restrs. and SS energy: 23.060 (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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2783.810222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.810222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.227477 (E_RNA)
where:
Base-Base interactions energy: -1952.119
where: short stacking energy: -803.947
Base-Backbone interact. energy: -2.061
local terms energy: -834.047617
where:
bonds (distance) C4'-P energy: -150.663
bonds (distance) P-C4' energy: -151.002
flat angles C4'-P-C4' energy: -172.152
flat angles P-C4'-P energy: -125.346
tors. eta vs tors. theta energy: -234.885
Dist. restrs. and SS energy: 4.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2732.954378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.954378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.317905 (E_RNA)
where:
Base-Base interactions energy: -1920.430
where: short stacking energy: -811.743
Base-Backbone interact. energy: -2.904
local terms energy: -812.983506
where:
bonds (distance) C4'-P energy: -139.601
bonds (distance) P-C4' energy: -138.315
flat angles C4'-P-C4' energy: -168.576
flat angles P-C4'-P energy: -117.233
tors. eta vs tors. theta energy: -249.259
Dist. restrs. and SS energy: 3.364 (S_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: 376
Temperature: 1.000000
Total energy: -2592.098323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.098323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.949050 (E_RNA)
where:
Base-Base interactions energy: -1819.637
where: short stacking energy: -784.419
Base-Backbone interact. energy: -0.634
local terms energy: -774.677732
where:
bonds (distance) C4'-P energy: -146.951
bonds (distance) P-C4' energy: -139.420
flat angles C4'-P-C4' energy: -153.241
flat angles P-C4'-P energy: -108.218
tors. eta vs tors. theta energy: -226.847
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2540.999759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.999759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.040753 (E_RNA)
where:
Base-Base interactions energy: -1806.729
where: short stacking energy: -759.369
Base-Backbone interact. energy: -3.947
local terms energy: -735.365234
where:
bonds (distance) C4'-P energy: -121.096
bonds (distance) P-C4' energy: -130.621
flat angles C4'-P-C4' energy: -159.183
flat angles P-C4'-P energy: -106.525
tors. eta vs tors. theta energy: -217.940
Dist. restrs. and SS energy: 5.041 (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: 376
Temperature: 1.100000
Total energy: -2439.041596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.041596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.428937 (E_RNA)
where:
Base-Base interactions energy: -1701.589
where: short stacking energy: -720.676
Base-Backbone interact. energy: -0.593
local terms energy: -744.247056
where:
bonds (distance) C4'-P energy: -127.612
bonds (distance) P-C4' energy: -130.591
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -111.438
tors. eta vs tors. theta energy: -223.099
Dist. restrs. and SS energy: 7.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2429.451199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.451199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.435658 (E_RNA)
where:
Base-Base interactions energy: -1743.755
where: short stacking energy: -707.462
Base-Backbone interact. energy: 2.843
local terms energy: -690.523885
where:
bonds (distance) C4'-P energy: -120.094
bonds (distance) P-C4' energy: -113.408
flat angles C4'-P-C4' energy: -138.563
flat angles P-C4'-P energy: -103.464
tors. eta vs tors. theta energy: -214.994
Dist. restrs. and SS energy: 1.984 (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: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2302.863961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.863961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.565888 (E_RNA)
where:
Base-Base interactions energy: -1645.648
where: short stacking energy: -690.706
Base-Backbone interact. energy: -1.269
local terms energy: -658.648951
where:
bonds (distance) C4'-P energy: -116.433
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -126.976
flat angles P-C4'-P energy: -89.264
tors. eta vs tors. theta energy: -199.260
Dist. restrs. and SS energy: 2.702 (S_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: -2262.892652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.892652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.498985 (E_RNA)
where:
Base-Base interactions energy: -1626.056
where: short stacking energy: -682.183
Base-Backbone interact. energy: -1.394
local terms energy: -648.048264
where:
bonds (distance) C4'-P energy: -103.668
bonds (distance) P-C4' energy: -120.611
flat angles C4'-P-C4' energy: -134.203
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -207.582
Dist. restrs. and SS energy: 12.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -2069.414062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.414062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.143630 (E_RNA)
where:
Base-Base interactions energy: -1489.714
where: short stacking energy: -596.392
Base-Backbone interact. energy: -3.038
local terms energy: -587.390752
where:
bonds (distance) C4'-P energy: -109.682
bonds (distance) P-C4' energy: -114.960
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -86.336
tors. eta vs tors. theta energy: -162.881
Dist. restrs. and SS energy: 10.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1922.779819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.779819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.760761 (E_RNA)
where:
Base-Base interactions energy: -1377.374
where: short stacking energy: -577.071
Base-Backbone interact. energy: -2.420
local terms energy: -573.966534
where:
bonds (distance) C4'-P energy: -96.380
bonds (distance) P-C4' energy: -120.828
flat angles C4'-P-C4' energy: -127.244
flat angles P-C4'-P energy: -73.919
tors. eta vs tors. theta energy: -155.596
Dist. restrs. and SS energy: 30.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2784.095639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.095639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.857444 (E_RNA)
where:
Base-Base interactions energy: -1943.443
where: short stacking energy: -820.915
Base-Backbone interact. energy: 1.286
local terms energy: -845.699877
where:
bonds (distance) C4'-P energy: -150.807
bonds (distance) P-C4' energy: -145.932
flat angles C4'-P-C4' energy: -182.139
flat angles P-C4'-P energy: -124.060
tors. eta vs tors. theta energy: -242.762
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: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2734.382789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.382789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.107145 (E_RNA)
where:
Base-Base interactions energy: -1926.711
where: short stacking energy: -820.530
Base-Backbone interact. energy: -2.044
local terms energy: -808.351936
where:
bonds (distance) C4'-P energy: -130.957
bonds (distance) P-C4' energy: -142.024
flat angles C4'-P-C4' energy: -171.478
flat angles P-C4'-P energy: -113.341
tors. eta vs tors. theta energy: -250.553
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2607.115166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.115166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.204287 (E_RNA)
where:
Base-Base interactions energy: -1837.608
where: short stacking energy: -778.144
Base-Backbone interact. energy: -2.437
local terms energy: -772.159546
where:
bonds (distance) C4'-P energy: -128.223
bonds (distance) P-C4' energy: -127.392
flat angles C4'-P-C4' energy: -175.780
flat angles P-C4'-P energy: -113.964
tors. eta vs tors. theta energy: -226.800
Dist. restrs. and SS energy: 5.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2555.734125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.734125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.488001 (E_RNA)
where:
Base-Base interactions energy: -1795.981
where: short stacking energy: -767.597
Base-Backbone interact. energy: 4.056
local terms energy: -767.562976
where:
bonds (distance) C4'-P energy: -124.054
bonds (distance) P-C4' energy: -136.533
flat angles C4'-P-C4' energy: -167.716
flat angles P-C4'-P energy: -106.601
tors. eta vs tors. theta energy: -232.659
Dist. restrs. and SS energy: 3.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2490.835567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.835567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.288025 (E_RNA)
where:
Base-Base interactions energy: -1728.727
where: short stacking energy: -738.071
Base-Backbone interact. energy: -1.703
local terms energy: -768.858441
where:
bonds (distance) C4'-P energy: -133.218
bonds (distance) P-C4' energy: -122.942
flat angles C4'-P-C4' energy: -163.460
flat angles P-C4'-P energy: -115.542
tors. eta vs tors. theta energy: -233.696
Dist. restrs. and SS energy: 8.452 (S_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: 377
Temperature: 1.150000
Total energy: -2424.297378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.297378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.349540 (E_RNA)
where:
Base-Base interactions energy: -1696.984
where: short stacking energy: -720.990
Base-Backbone interact. energy: -2.813
local terms energy: -729.553092
where:
bonds (distance) C4'-P energy: -120.156
bonds (distance) P-C4' energy: -118.893
flat angles C4'-P-C4' energy: -161.345
flat angles P-C4'-P energy: -103.798
tors. eta vs tors. theta energy: -225.361
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: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2338.324091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.324091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.718421 (E_RNA)
where:
Base-Base interactions energy: -1646.747
where: short stacking energy: -681.561
Base-Backbone interact. energy: 2.202
local terms energy: -704.173496
where:
bonds (distance) C4'-P energy: -126.704
bonds (distance) P-C4' energy: -132.136
flat angles C4'-P-C4' energy: -144.972
flat angles P-C4'-P energy: -107.324
tors. eta vs tors. theta energy: -193.038
Dist. restrs. and SS energy: 10.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2247.241676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.241676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.517397 (E_RNA)
where:
Base-Base interactions energy: -1581.529
where: short stacking energy: -642.353
Base-Backbone interact. energy: 0.180
local terms energy: -674.168576
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -125.740
flat angles C4'-P-C4' energy: -154.330
flat angles P-C4'-P energy: -99.639
tors. eta vs tors. theta energy: -186.076
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: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -2055.417609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.417609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.598344 (E_RNA)
where:
Base-Base interactions energy: -1430.652
where: short stacking energy: -582.145
Base-Backbone interact. energy: 1.325
local terms energy: -634.271237
where:
bonds (distance) C4'-P energy: -130.146
bonds (distance) P-C4' energy: -120.825
flat angles C4'-P-C4' energy: -148.685
flat angles P-C4'-P energy: -80.284
tors. eta vs tors. theta energy: -154.331
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: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1870.323749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.323749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.684287 (E_RNA)
where:
Base-Base interactions energy: -1316.516
where: short stacking energy: -569.625
Base-Backbone interact. energy: 1.464
local terms energy: -581.632422
where:
bonds (distance) C4'-P energy: -106.976
bonds (distance) P-C4' energy: -113.640
flat angles C4'-P-C4' energy: -132.106
flat angles P-C4'-P energy: -79.551
tors. eta vs tors. theta energy: -149.360
Dist. restrs. and SS energy: 26.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2777.756195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.756195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.884893 (E_RNA)
where:
Base-Base interactions energy: -1912.990
where: short stacking energy: -843.373
Base-Backbone interact. energy: -3.478
local terms energy: -863.416272
where:
bonds (distance) C4'-P energy: -146.110
bonds (distance) P-C4' energy: -155.616
flat angles C4'-P-C4' energy: -185.126
flat angles P-C4'-P energy: -121.270
tors. eta vs tors. theta energy: -255.295
Dist. restrs. and SS energy: 2.129 (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: 378
Temperature: 0.950000
Total energy: -2722.866611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.866611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.133531 (E_RNA)
where:
Base-Base interactions energy: -1935.504
where: short stacking energy: -815.131
Base-Backbone interact. energy: 4.742
local terms energy: -795.371293
where:
bonds (distance) C4'-P energy: -143.280
bonds (distance) P-C4' energy: -148.446
flat angles C4'-P-C4' energy: -159.656
flat angles P-C4'-P energy: -109.379
tors. eta vs tors. theta energy: -234.611
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: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2617.818999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.818999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.726965 (E_RNA)
where:
Base-Base interactions energy: -1839.374
where: short stacking energy: -769.122
Base-Backbone interact. energy: -2.852
local terms energy: -778.500670
where:
bonds (distance) C4'-P energy: -136.624
bonds (distance) P-C4' energy: -147.403
flat angles C4'-P-C4' energy: -155.634
flat angles P-C4'-P energy: -110.657
tors. eta vs tors. theta energy: -228.182
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2534.465123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.465123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.830215 (E_RNA)
where:
Base-Base interactions energy: -1804.376
where: short stacking energy: -768.481
Base-Backbone interact. energy: 0.350
local terms energy: -735.803926
where:
bonds (distance) C4'-P energy: -129.852
bonds (distance) P-C4' energy: -123.857
flat angles C4'-P-C4' energy: -150.416
flat angles P-C4'-P energy: -98.245
tors. eta vs tors. theta energy: -233.434
Dist. restrs. and SS energy: 5.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2483.036427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.036427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.027418 (E_RNA)
where:
Base-Base interactions energy: -1761.707
where: short stacking energy: -739.328
Base-Backbone interact. energy: 1.301
local terms energy: -728.620811
where:
bonds (distance) C4'-P energy: -120.464
bonds (distance) P-C4' energy: -145.089
flat angles C4'-P-C4' energy: -140.781
flat angles P-C4'-P energy: -98.031
tors. eta vs tors. theta energy: -224.256
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: 378
Temperature: 1.150000
Total energy: -2422.190703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.190703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.831357 (E_RNA)
where:
Base-Base interactions energy: -1720.940
where: short stacking energy: -695.715
Base-Backbone interact. energy: -3.760
local terms energy: -708.131682
where:
bonds (distance) C4'-P energy: -113.593
bonds (distance) P-C4' energy: -136.714
flat angles C4'-P-C4' energy: -159.528
flat angles P-C4'-P energy: -83.544
tors. eta vs tors. theta energy: -214.753
Dist. restrs. and SS energy: 10.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2259.610684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.610684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.349456 (E_RNA)
where:
Base-Base interactions energy: -1557.750
where: short stacking energy: -660.479
Base-Backbone interact. energy: -2.171
local terms energy: -709.428476
where:
bonds (distance) C4'-P energy: -140.082
bonds (distance) P-C4' energy: -119.011
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -104.607
tors. eta vs tors. theta energy: -194.222
Dist. restrs. and SS energy: 9.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2237.923629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.923629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.075865 (E_RNA)
where:
Base-Base interactions energy: -1626.053
where: short stacking energy: -663.889
Base-Backbone interact. energy: 0.794
local terms energy: -624.816407
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -101.655
flat angles C4'-P-C4' energy: -139.733
flat angles P-C4'-P energy: -100.529
tors. eta vs tors. theta energy: -188.894
Dist. restrs. and SS energy: 12.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -2113.944029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.944029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.076214 (E_RNA)
where:
Base-Base interactions energy: -1491.143
where: short stacking energy: -614.254
Base-Backbone interact. energy: 0.098
local terms energy: -635.031107
where:
bonds (distance) C4'-P energy: -110.167
bonds (distance) P-C4' energy: -116.957
flat angles C4'-P-C4' energy: -145.201
flat angles P-C4'-P energy: -88.370
tors. eta vs tors. theta energy: -174.336
Dist. restrs. and SS energy: 12.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1919.069656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.069656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.671000 (E_RNA)
where:
Base-Base interactions energy: -1349.452
where: short stacking energy: -543.722
Base-Backbone interact. energy: -1.618
local terms energy: -590.601056
where:
bonds (distance) C4'-P energy: -100.755
bonds (distance) P-C4' energy: -109.999
flat angles C4'-P-C4' energy: -139.742
flat angles P-C4'-P energy: -79.865
tors. eta vs tors. theta energy: -160.240
Dist. restrs. and SS energy: 22.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2767.976837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.976837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.403735 (E_RNA)
where:
Base-Base interactions energy: -1952.018
where: short stacking energy: -844.036
Base-Backbone interact. energy: -1.413
local terms energy: -818.972808
where:
bonds (distance) C4'-P energy: -140.904
bonds (distance) P-C4' energy: -142.418
flat angles C4'-P-C4' energy: -162.399
flat angles P-C4'-P energy: -128.932
tors. eta vs tors. theta energy: -244.319
Dist. restrs. and SS energy: 4.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2713.295578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.295578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.866651 (E_RNA)
where:
Base-Base interactions energy: -1910.873
where: short stacking energy: -813.128
Base-Backbone interact. energy: -2.783
local terms energy: -803.210071
where:
bonds (distance) C4'-P energy: -152.008
bonds (distance) P-C4' energy: -145.250
flat angles C4'-P-C4' energy: -166.022
flat angles P-C4'-P energy: -106.391
tors. eta vs tors. theta energy: -233.538
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2605.081872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.081872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.707749 (E_RNA)
where:
Base-Base interactions energy: -1819.778
where: short stacking energy: -779.184
Base-Backbone interact. energy: -1.029
local terms energy: -788.901718
where:
bonds (distance) C4'-P energy: -131.780
bonds (distance) P-C4' energy: -140.214
flat angles C4'-P-C4' energy: -168.924
flat angles P-C4'-P energy: -115.168
tors. eta vs tors. theta energy: -232.815
Dist. restrs. and SS energy: 4.626 (S_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: 379
Temperature: 1.050000
Total energy: -2532.691020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.691020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.137563 (E_RNA)
where:
Base-Base interactions energy: -1810.101
where: short stacking energy: -738.946
Base-Backbone interact. energy: 1.928
local terms energy: -727.964350
where:
bonds (distance) C4'-P energy: -129.327
bonds (distance) P-C4' energy: -112.876
flat angles C4'-P-C4' energy: -167.912
flat angles P-C4'-P energy: -99.300
tors. eta vs tors. theta energy: -218.550
Dist. restrs. and SS energy: 3.447 (S_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: 379
Temperature: 1.100000
Total energy: -2479.995570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.995570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.066044 (E_RNA)
where:
Base-Base interactions energy: -1750.125
where: short stacking energy: -737.721
Base-Backbone interact. energy: -2.332
local terms energy: -730.609465
where:
bonds (distance) C4'-P energy: -117.301
bonds (distance) P-C4' energy: -133.431
flat angles C4'-P-C4' energy: -153.020
flat angles P-C4'-P energy: -107.826
tors. eta vs tors. theta energy: -219.030
Dist. restrs. and SS energy: 3.070 (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: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2398.386980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.386980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.047728 (E_RNA)
where:
Base-Base interactions energy: -1707.085
where: short stacking energy: -701.455
Base-Backbone interact. energy: 1.921
local terms energy: -702.883813
where:
bonds (distance) C4'-P energy: -135.267
bonds (distance) P-C4' energy: -126.630
flat angles C4'-P-C4' energy: -136.782
flat angles P-C4'-P energy: -102.106
tors. eta vs tors. theta energy: -202.098
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: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2304.288645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.288645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.620409 (E_RNA)
where:
Base-Base interactions energy: -1624.646
where: short stacking energy: -708.705
Base-Backbone interact. energy: -2.347
local terms energy: -686.628065
where:
bonds (distance) C4'-P energy: -130.556
bonds (distance) P-C4' energy: -104.901
flat angles C4'-P-C4' energy: -147.740
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -211.125
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: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2159.527400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.527400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.997482 (E_RNA)
where:
Base-Base interactions energy: -1547.002
where: short stacking energy: -613.998
Base-Backbone interact. energy: -1.688
local terms energy: -617.308012
where:
bonds (distance) C4'-P energy: -127.888
bonds (distance) P-C4' energy: -123.159
flat angles C4'-P-C4' energy: -128.044
flat angles P-C4'-P energy: -77.040
tors. eta vs tors. theta energy: -161.177
Dist. restrs. and SS energy: 6.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -2233.442792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.442792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.323347 (E_RNA)
where:
Base-Base interactions energy: -1551.230
where: short stacking energy: -658.568
Base-Backbone interact. energy: -2.753
local terms energy: -687.341078
where:
bonds (distance) C4'-P energy: -132.096
bonds (distance) P-C4' energy: -113.372
flat angles C4'-P-C4' energy: -156.425
flat angles P-C4'-P energy: -88.788
tors. eta vs tors. theta energy: -196.660
Dist. restrs. and SS energy: 7.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1943.443849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.443849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.267306 (E_RNA)
where:
Base-Base interactions energy: -1367.350
where: short stacking energy: -575.509
Base-Backbone interact. energy: -3.803
local terms energy: -593.114057
where:
bonds (distance) C4'-P energy: -102.529
bonds (distance) P-C4' energy: -100.443
flat angles C4'-P-C4' energy: -134.364
flat angles P-C4'-P energy: -91.293
tors. eta vs tors. theta energy: -164.484
Dist. restrs. and SS energy: 20.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2781.666944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.666944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.793172 (E_RNA)
where:
Base-Base interactions energy: -1952.908
where: short stacking energy: -822.220
Base-Backbone interact. energy: -2.668
local terms energy: -828.216949
where:
bonds (distance) C4'-P energy: -143.898
bonds (distance) P-C4' energy: -154.371
flat angles C4'-P-C4' energy: -166.774
flat angles P-C4'-P energy: -119.771
tors. eta vs tors. theta energy: -243.403
Dist. restrs. and SS energy: 2.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2727.886400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.886400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.303819 (E_RNA)
where:
Base-Base interactions energy: -1882.238
where: short stacking energy: -797.228
Base-Backbone interact. energy: -4.455
local terms energy: -843.610746
where:
bonds (distance) C4'-P energy: -145.049
bonds (distance) P-C4' energy: -153.020
flat angles C4'-P-C4' energy: -168.680
flat angles P-C4'-P energy: -135.264
tors. eta vs tors. theta energy: -241.598
Dist. restrs. and SS energy: 2.417 (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: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2606.481030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.481030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.886682 (E_RNA)
where:
Base-Base interactions energy: -1811.936
where: short stacking energy: -767.125
Base-Backbone interact. energy: -2.040
local terms energy: -794.909943
where:
bonds (distance) C4'-P energy: -140.903
bonds (distance) P-C4' energy: -151.564
flat angles C4'-P-C4' energy: -166.068
flat angles P-C4'-P energy: -98.991
tors. eta vs tors. theta energy: -237.383
Dist. restrs. and SS energy: 2.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2554.180038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.180038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.550140 (E_RNA)
where:
Base-Base interactions energy: -1790.338
where: short stacking energy: -761.265
Base-Backbone interact. energy: -2.168
local terms energy: -764.043671
where:
bonds (distance) C4'-P energy: -126.109
bonds (distance) P-C4' energy: -146.987
flat angles C4'-P-C4' energy: -155.792
flat angles P-C4'-P energy: -106.906
tors. eta vs tors. theta energy: -228.249
Dist. restrs. and SS energy: 2.370 (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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2490.253777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.253777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.362428 (E_RNA)
where:
Base-Base interactions energy: -1751.262
where: short stacking energy: -746.613
Base-Backbone interact. energy: -2.736
local terms energy: -744.364309
where:
bonds (distance) C4'-P energy: -146.751
bonds (distance) P-C4' energy: -125.019
flat angles C4'-P-C4' energy: -157.350
flat angles P-C4'-P energy: -93.410
tors. eta vs tors. theta energy: -221.834
Dist. restrs. and SS energy: 8.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2425.717753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.717753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.057343 (E_RNA)
where:
Base-Base interactions energy: -1704.642
where: short stacking energy: -716.474
Base-Backbone interact. energy: -0.174
local terms energy: -727.241952
where:
bonds (distance) C4'-P energy: -119.801
bonds (distance) P-C4' energy: -123.375
flat angles C4'-P-C4' energy: -158.120
flat angles P-C4'-P energy: -98.235
tors. eta vs tors. theta energy: -227.711
Dist. restrs. and SS energy: 6.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2296.681122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.681122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.752912 (E_RNA)
where:
Base-Base interactions energy: -1616.650
where: short stacking energy: -706.731
Base-Backbone interact. energy: -2.876
local terms energy: -686.226455
where:
bonds (distance) C4'-P energy: -117.603
bonds (distance) P-C4' energy: -127.702
flat angles C4'-P-C4' energy: -139.315
flat angles P-C4'-P energy: -91.423
tors. eta vs tors. theta energy: -210.183
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: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2209.957963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.957963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.163403 (E_RNA)
where:
Base-Base interactions energy: -1586.951
where: short stacking energy: -656.577
Base-Backbone interact. energy: -1.444
local terms energy: -631.768061
where:
bonds (distance) C4'-P energy: -106.154
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -150.131
flat angles P-C4'-P energy: -78.998
tors. eta vs tors. theta energy: -187.016
Dist. restrs. and SS energy: 10.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -2196.611440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.611440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.255674 (E_RNA)
where:
Base-Base interactions energy: -1583.962
where: short stacking energy: -683.317
Base-Backbone interact. energy: -3.535
local terms energy: -621.758393
where:
bonds (distance) C4'-P energy: -103.196
bonds (distance) P-C4' energy: -99.025
flat angles C4'-P-C4' energy: -145.985
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -196.672
Dist. restrs. and SS energy: 12.644 (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: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1955.067581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.067581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.371143 (E_RNA)
where:
Base-Base interactions energy: -1396.135
where: short stacking energy: -588.967
Base-Backbone interact. energy: -2.975
local terms energy: -578.261303
where:
bonds (distance) C4'-P energy: -104.470
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -138.242
flat angles P-C4'-P energy: -64.818
tors. eta vs tors. theta energy: -169.007
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: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2781.843577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.843577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.412083 (E_RNA)
where:
Base-Base interactions energy: -1963.454
where: short stacking energy: -832.670
Base-Backbone interact. energy: -2.983
local terms energy: -818.976034
where:
bonds (distance) C4'-P energy: -135.785
bonds (distance) P-C4' energy: -152.837
flat angles C4'-P-C4' energy: -176.442
flat angles P-C4'-P energy: -108.601
tors. eta vs tors. theta energy: -245.310
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2681.591224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.591224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.777920 (E_RNA)
where:
Base-Base interactions energy: -1900.278
where: short stacking energy: -791.875
Base-Backbone interact. energy: 0.109
local terms energy: -785.608399
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -144.386
flat angles C4'-P-C4' energy: -169.398
flat angles P-C4'-P energy: -112.168
tors. eta vs tors. theta energy: -236.161
Dist. restrs. and SS energy: 4.187 (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: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2614.225155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.225155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.574917 (E_RNA)
where:
Base-Base interactions energy: -1832.222
where: short stacking energy: -791.548
Base-Backbone interact. energy: 0.582
local terms energy: -785.935453
where:
bonds (distance) C4'-P energy: -134.022
bonds (distance) P-C4' energy: -137.285
flat angles C4'-P-C4' energy: -160.908
flat angles P-C4'-P energy: -117.183
tors. eta vs tors. theta energy: -236.537
Dist. restrs. and SS energy: 3.350 (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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2514.655719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.655719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.252247 (E_RNA)
where:
Base-Base interactions energy: -1755.039
where: short stacking energy: -714.004
Base-Backbone interact. energy: -2.485
local terms energy: -761.727774
where:
bonds (distance) C4'-P energy: -138.261
bonds (distance) P-C4' energy: -142.217
flat angles C4'-P-C4' energy: -152.895
flat angles P-C4'-P energy: -103.530
tors. eta vs tors. theta energy: -224.824
Dist. restrs. and SS energy: 4.597 (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: 381
Temperature: 1.100000
Total energy: -2452.409683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.409683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.465477 (E_RNA)
where:
Base-Base interactions energy: -1715.523
where: short stacking energy: -705.896
Base-Backbone interact. energy: -2.264
local terms energy: -745.678707
where:
bonds (distance) C4'-P energy: -126.123
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -158.986
flat angles P-C4'-P energy: -113.381
tors. eta vs tors. theta energy: -210.988
Dist. restrs. and SS energy: 11.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2433.915920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.915920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.732523 (E_RNA)
where:
Base-Base interactions energy: -1719.368
where: short stacking energy: -704.744
Base-Backbone interact. energy: 3.581
local terms energy: -722.944717
where:
bonds (distance) C4'-P energy: -131.489
bonds (distance) P-C4' energy: -127.558
flat angles C4'-P-C4' energy: -166.189
flat angles P-C4'-P energy: -96.669
tors. eta vs tors. theta energy: -201.040
Dist. restrs. and SS energy: 4.817 (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: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2342.127647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.127647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.967481 (E_RNA)
where:
Base-Base interactions energy: -1652.327
where: short stacking energy: -703.444
Base-Backbone interact. energy: 3.337
local terms energy: -697.978011
where:
bonds (distance) C4'-P energy: -124.534
bonds (distance) P-C4' energy: -133.759
flat angles C4'-P-C4' energy: -146.838
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: -215.708
Dist. restrs. and SS energy: 4.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2241.756144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.756144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.581090 (E_RNA)
where:
Base-Base interactions energy: -1606.063
where: short stacking energy: -666.682
Base-Backbone interact. energy: -0.230
local terms energy: -645.287851
where:
bonds (distance) C4'-P energy: -118.149
bonds (distance) P-C4' energy: -105.977
flat angles C4'-P-C4' energy: -130.456
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -208.494
Dist. restrs. and SS energy: 9.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -2159.285886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.285886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.188762 (E_RNA)
where:
Base-Base interactions energy: -1535.763
where: short stacking energy: -638.214
Base-Backbone interact. energy: -2.776
local terms energy: -627.650724
where:
bonds (distance) C4'-P energy: -117.949
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -122.250
flat angles P-C4'-P energy: -83.235
tors. eta vs tors. theta energy: -190.831
Dist. restrs. and SS energy: 6.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1996.834273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.834273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.201347 (E_RNA)
where:
Base-Base interactions energy: -1424.293
where: short stacking energy: -575.158
Base-Backbone interact. energy: 0.318
local terms energy: -591.226729
where:
bonds (distance) C4'-P energy: -99.086
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -98.073
tors. eta vs tors. theta energy: -166.774
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2754.203214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.203214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.033739 (E_RNA)
where:
Base-Base interactions energy: -1949.922
where: short stacking energy: -817.539
Base-Backbone interact. energy: 3.414
local terms energy: -811.525613
where:
bonds (distance) C4'-P energy: -143.100
bonds (distance) P-C4' energy: -153.502
flat angles C4'-P-C4' energy: -151.163
flat angles P-C4'-P energy: -119.324
tors. eta vs tors. theta energy: -244.437
Dist. restrs. and SS energy: 3.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2714.964502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.964502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.690114 (E_RNA)
where:
Base-Base interactions energy: -1932.798
where: short stacking energy: -814.662
Base-Backbone interact. energy: -3.551
local terms energy: -784.341869
where:
bonds (distance) C4'-P energy: -135.828
bonds (distance) P-C4' energy: -134.041
flat angles C4'-P-C4' energy: -169.100
flat angles P-C4'-P energy: -102.232
tors. eta vs tors. theta energy: -243.141
Dist. restrs. and SS energy: 5.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2606.033379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.033379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.966097 (E_RNA)
where:
Base-Base interactions energy: -1835.636
where: short stacking energy: -778.346
Base-Backbone interact. energy: -0.362
local terms energy: -773.968239
where:
bonds (distance) C4'-P energy: -131.533
bonds (distance) P-C4' energy: -126.149
flat angles C4'-P-C4' energy: -173.754
flat angles P-C4'-P energy: -118.556
tors. eta vs tors. theta energy: -223.976
Dist. restrs. and SS energy: 3.933 (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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2512.356478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.356478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.867470 (E_RNA)
where:
Base-Base interactions energy: -1769.361
where: short stacking energy: -766.337
Base-Backbone interact. energy: -3.023
local terms energy: -745.483849
where:
bonds (distance) C4'-P energy: -130.269
bonds (distance) P-C4' energy: -136.436
flat angles C4'-P-C4' energy: -157.125
flat angles P-C4'-P energy: -109.029
tors. eta vs tors. theta energy: -212.625
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: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2484.236778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.236778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.993802 (E_RNA)
where:
Base-Base interactions energy: -1745.346
where: short stacking energy: -748.689
Base-Backbone interact. energy: 0.153
local terms energy: -744.800450
where:
bonds (distance) C4'-P energy: -125.537
bonds (distance) P-C4' energy: -130.726
flat angles C4'-P-C4' energy: -156.113
flat angles P-C4'-P energy: -105.872
tors. eta vs tors. theta energy: -226.553
Dist. restrs. and SS energy: 5.757 (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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2432.639775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.639775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.031920 (E_RNA)
where:
Base-Base interactions energy: -1732.486
where: short stacking energy: -716.952
Base-Backbone interact. energy: -1.191
local terms energy: -703.355258
where:
bonds (distance) C4'-P energy: -117.863
bonds (distance) P-C4' energy: -128.073
flat angles C4'-P-C4' energy: -148.857
flat angles P-C4'-P energy: -85.802
tors. eta vs tors. theta energy: -222.761
Dist. restrs. and SS energy: 4.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2343.711801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.711801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.482730 (E_RNA)
where:
Base-Base interactions energy: -1625.064
where: short stacking energy: -673.008
Base-Backbone interact. energy: 0.181
local terms energy: -727.598892
where:
bonds (distance) C4'-P energy: -132.079
bonds (distance) P-C4' energy: -130.412
flat angles C4'-P-C4' energy: -153.171
flat angles P-C4'-P energy: -94.422
tors. eta vs tors. theta energy: -217.514
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2212.816041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.816041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.733334 (E_RNA)
where:
Base-Base interactions energy: -1584.828
where: short stacking energy: -636.779
Base-Backbone interact. energy: -0.253
local terms energy: -647.652440
where:
bonds (distance) C4'-P energy: -121.537
bonds (distance) P-C4' energy: -129.447
flat angles C4'-P-C4' energy: -136.765
flat angles P-C4'-P energy: -87.087
tors. eta vs tors. theta energy: -172.817
Dist. restrs. and SS energy: 19.917 (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: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -2083.641300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.641300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.909741 (E_RNA)
where:
Base-Base interactions energy: -1454.541
where: short stacking energy: -592.673
Base-Backbone interact. energy: -1.848
local terms energy: -637.520698
where:
bonds (distance) C4'-P energy: -116.028
bonds (distance) P-C4' energy: -128.609
flat angles C4'-P-C4' energy: -143.637
flat angles P-C4'-P energy: -82.050
tors. eta vs tors. theta energy: -167.198
Dist. restrs. and SS energy: 10.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1977.041815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.041815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.488951 (E_RNA)
where:
Base-Base interactions energy: -1359.233
where: short stacking energy: -551.805
Base-Backbone interact. energy: -2.713
local terms energy: -634.543193
where:
bonds (distance) C4'-P energy: -136.097
bonds (distance) P-C4' energy: -109.797
flat angles C4'-P-C4' energy: -131.478
flat angles P-C4'-P energy: -93.166
tors. eta vs tors. theta energy: -164.004
Dist. restrs. and SS energy: 19.447 (S_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: 383
Temperature: 0.900000
Total energy: -2769.780829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.780829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.191719 (E_RNA)
where:
Base-Base interactions energy: -1929.181
where: short stacking energy: -811.952
Base-Backbone interact. energy: -4.281
local terms energy: -840.729892
where:
bonds (distance) C4'-P energy: -157.342
bonds (distance) P-C4' energy: -153.296
flat angles C4'-P-C4' energy: -170.490
flat angles P-C4'-P energy: -113.698
tors. eta vs tors. theta energy: -245.904
Dist. restrs. and SS energy: 4.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2686.761571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.761571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.453758 (E_RNA)
where:
Base-Base interactions energy: -1892.729
where: short stacking energy: -806.381
Base-Backbone interact. energy: -1.934
local terms energy: -796.791013
where:
bonds (distance) C4'-P energy: -135.804
bonds (distance) P-C4' energy: -137.085
flat angles C4'-P-C4' energy: -168.839
flat angles P-C4'-P energy: -107.789
tors. eta vs tors. theta energy: -247.274
Dist. restrs. and SS energy: 4.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2606.291802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.291802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.244004 (E_RNA)
where:
Base-Base interactions energy: -1840.521
where: short stacking energy: -739.509
Base-Backbone interact. energy: -0.161
local terms energy: -769.561715
where:
bonds (distance) C4'-P energy: -143.057
bonds (distance) P-C4' energy: -142.058
flat angles C4'-P-C4' energy: -144.341
flat angles P-C4'-P energy: -122.434
tors. eta vs tors. theta energy: -217.671
Dist. restrs. and SS energy: 3.952 (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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2507.324656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.324656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.734462 (E_RNA)
where:
Base-Base interactions energy: -1773.411
where: short stacking energy: -760.000
Base-Backbone interact. energy: -0.478
local terms energy: -736.845187
where:
bonds (distance) C4'-P energy: -122.579
bonds (distance) P-C4' energy: -116.228
flat angles C4'-P-C4' energy: -168.146
flat angles P-C4'-P energy: -101.890
tors. eta vs tors. theta energy: -228.001
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2471.994672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.994672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.857761 (E_RNA)
where:
Base-Base interactions energy: -1729.426
where: short stacking energy: -741.844
Base-Backbone interact. energy: 0.293
local terms energy: -750.724461
where:
bonds (distance) C4'-P energy: -137.049
bonds (distance) P-C4' energy: -136.511
flat angles C4'-P-C4' energy: -157.363
flat angles P-C4'-P energy: -113.182
tors. eta vs tors. theta energy: -206.620
Dist. restrs. and SS energy: 7.863 (S_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: 383
Temperature: 1.150000
Total energy: -2404.370789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.370789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.056439 (E_RNA)
where:
Base-Base interactions energy: -1688.008
where: short stacking energy: -693.702
Base-Backbone interact. energy: -3.731
local terms energy: -718.317200
where:
bonds (distance) C4'-P energy: -139.700
bonds (distance) P-C4' energy: -130.459
flat angles C4'-P-C4' energy: -138.252
flat angles P-C4'-P energy: -105.109
tors. eta vs tors. theta energy: -204.797
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: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2294.118750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.118750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.031115 (E_RNA)
where:
Base-Base interactions energy: -1618.849
where: short stacking energy: -665.219
Base-Backbone interact. energy: -2.573
local terms energy: -679.609134
where:
bonds (distance) C4'-P energy: -126.869
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -149.652
flat angles P-C4'-P energy: -91.829
tors. eta vs tors. theta energy: -201.595
Dist. restrs. and SS energy: 6.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2247.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.248357 (E_RNA)
where:
Base-Base interactions energy: -1586.041
where: short stacking energy: -638.697
Base-Backbone interact. energy: -3.890
local terms energy: -667.318214
where:
bonds (distance) C4'-P energy: -120.993
bonds (distance) P-C4' energy: -129.201
flat angles C4'-P-C4' energy: -128.558
flat angles P-C4'-P energy: -95.875
tors. eta vs tors. theta energy: -192.690
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: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -2052.142766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.142766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.446983 (E_RNA)
where:
Base-Base interactions energy: -1447.020
where: short stacking energy: -595.454
Base-Backbone interact. energy: -1.338
local terms energy: -618.089748
where:
bonds (distance) C4'-P energy: -110.292
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -146.021
flat angles P-C4'-P energy: -83.636
tors. eta vs tors. theta energy: -157.671
Dist. restrs. and SS energy: 14.304 (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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1959.432110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.432110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.108376 (E_RNA)
where:
Base-Base interactions energy: -1379.154
where: short stacking energy: -570.388
Base-Backbone interact. energy: -3.448
local terms energy: -600.507163
where:
bonds (distance) C4'-P energy: -131.373
bonds (distance) P-C4' energy: -109.656
flat angles C4'-P-C4' energy: -129.451
flat angles P-C4'-P energy: -64.258
tors. eta vs tors. theta energy: -165.770
Dist. restrs. and SS energy: 23.676 (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: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2769.765334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.765334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.641447 (E_RNA)
where:
Base-Base interactions energy: -1940.988
where: short stacking energy: -816.148
Base-Backbone interact. energy: -4.030
local terms energy: -827.623292
where:
bonds (distance) C4'-P energy: -150.337
bonds (distance) P-C4' energy: -147.685
flat angles C4'-P-C4' energy: -173.153
flat angles P-C4'-P energy: -105.485
tors. eta vs tors. theta energy: -250.963
Dist. restrs. and SS energy: 2.876 (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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2696.075266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.075266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.066287 (E_RNA)
where:
Base-Base interactions energy: -1869.760
where: short stacking energy: -798.720
Base-Backbone interact. energy: -2.631
local terms energy: -829.675096
where:
bonds (distance) C4'-P energy: -134.712
bonds (distance) P-C4' energy: -145.685
flat angles C4'-P-C4' energy: -170.963
flat angles P-C4'-P energy: -125.221
tors. eta vs tors. theta energy: -253.093
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: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2644.341984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.341984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.903325 (E_RNA)
where:
Base-Base interactions energy: -1823.128
where: short stacking energy: -781.407
Base-Backbone interact. energy: -0.105
local terms energy: -824.670137
where:
bonds (distance) C4'-P energy: -140.866
bonds (distance) P-C4' energy: -157.076
flat angles C4'-P-C4' energy: -170.218
flat angles P-C4'-P energy: -123.310
tors. eta vs tors. theta energy: -233.199
Dist. restrs. and SS energy: 3.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2517.201901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.201901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.679628 (E_RNA)
where:
Base-Base interactions energy: -1756.712
where: short stacking energy: -743.052
Base-Backbone interact. energy: -3.281
local terms energy: -761.687072
where:
bonds (distance) C4'-P energy: -128.514
bonds (distance) P-C4' energy: -143.529
flat angles C4'-P-C4' energy: -146.961
flat angles P-C4'-P energy: -117.898
tors. eta vs tors. theta energy: -224.786
Dist. restrs. and SS energy: 4.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2419.571530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.571530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.353353 (E_RNA)
where:
Base-Base interactions energy: -1704.755
where: short stacking energy: -713.649
Base-Backbone interact. energy: -1.503
local terms energy: -722.095100
where:
bonds (distance) C4'-P energy: -114.845
bonds (distance) P-C4' energy: -125.328
flat angles C4'-P-C4' energy: -162.049
flat angles P-C4'-P energy: -101.283
tors. eta vs tors. theta energy: -218.590
Dist. restrs. and SS energy: 8.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2390.589099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.589099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.175217 (E_RNA)
where:
Base-Base interactions energy: -1709.950
where: short stacking energy: -707.552
Base-Backbone interact. energy: -4.978
local terms energy: -680.246469
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -129.558
flat angles C4'-P-C4' energy: -142.245
flat angles P-C4'-P energy: -96.642
tors. eta vs tors. theta energy: -219.437
Dist. restrs. and SS energy: 4.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2310.997026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.997026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.951337 (E_RNA)
where:
Base-Base interactions energy: -1635.686
where: short stacking energy: -675.445
Base-Backbone interact. energy: 0.632
local terms energy: -686.897428
where:
bonds (distance) C4'-P energy: -125.016
bonds (distance) P-C4' energy: -124.027
flat angles C4'-P-C4' energy: -133.610
flat angles P-C4'-P energy: -102.563
tors. eta vs tors. theta energy: -201.681
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2201.053201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.053201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.137487 (E_RNA)
where:
Base-Base interactions energy: -1553.285
where: short stacking energy: -646.473
Base-Backbone interact. energy: -1.503
local terms energy: -659.349242
where:
bonds (distance) C4'-P energy: -107.798
bonds (distance) P-C4' energy: -115.568
flat angles C4'-P-C4' energy: -154.324
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -196.832
Dist. restrs. and SS energy: 13.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -2058.869846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.869846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.002617 (E_RNA)
where:
Base-Base interactions energy: -1472.440
where: short stacking energy: -596.132
Base-Backbone interact. energy: -4.691
local terms energy: -601.871019
where:
bonds (distance) C4'-P energy: -102.396
bonds (distance) P-C4' energy: -125.830
flat angles C4'-P-C4' energy: -139.742
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -168.158
Dist. restrs. and SS energy: 20.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1902.708679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.708679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.248947 (E_RNA)
where:
Base-Base interactions energy: -1338.782
where: short stacking energy: -569.060
Base-Backbone interact. energy: 2.600
local terms energy: -579.067742
where:
bonds (distance) C4'-P energy: -112.465
bonds (distance) P-C4' energy: -108.035
flat angles C4'-P-C4' energy: -115.071
flat angles P-C4'-P energy: -81.780
tors. eta vs tors. theta energy: -161.716
Dist. restrs. and SS energy: 12.540 (S_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: 385
Temperature: 0.900000
Total energy: -2758.400600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.400600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.598794 (E_RNA)
where:
Base-Base interactions energy: -1933.716
where: short stacking energy: -808.155
Base-Backbone interact. energy: -1.645
local terms energy: -825.237529
where:
bonds (distance) C4'-P energy: -138.254
bonds (distance) P-C4' energy: -154.327
flat angles C4'-P-C4' energy: -167.566
flat angles P-C4'-P energy: -123.825
tors. eta vs tors. theta energy: -241.264
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2692.955632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.955632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.783871 (E_RNA)
where:
Base-Base interactions energy: -1878.797
where: short stacking energy: -822.216
Base-Backbone interact. energy: -3.240
local terms energy: -815.747155
where:
bonds (distance) C4'-P energy: -144.559
bonds (distance) P-C4' energy: -136.517
flat angles C4'-P-C4' energy: -166.180
flat angles P-C4'-P energy: -121.650
tors. eta vs tors. theta energy: -246.841
Dist. restrs. and SS energy: 4.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2622.582429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.582429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.931505 (E_RNA)
where:
Base-Base interactions energy: -1851.887
where: short stacking energy: -798.468
Base-Backbone interact. energy: -0.234
local terms energy: -774.810452
where:
bonds (distance) C4'-P energy: -128.308
bonds (distance) P-C4' energy: -137.659
flat angles C4'-P-C4' energy: -161.892
flat angles P-C4'-P energy: -108.867
tors. eta vs tors. theta energy: -238.084
Dist. restrs. and SS energy: 4.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2519.246762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.246762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.451943 (E_RNA)
where:
Base-Base interactions energy: -1772.217
where: short stacking energy: -750.770
Base-Backbone interact. energy: -1.381
local terms energy: -749.853968
where:
bonds (distance) C4'-P energy: -123.623
bonds (distance) P-C4' energy: -132.282
flat angles C4'-P-C4' energy: -163.388
flat angles P-C4'-P energy: -111.811
tors. eta vs tors. theta energy: -218.751
Dist. restrs. and SS energy: 4.205 (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: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2428.954072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.954072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.311005 (E_RNA)
where:
Base-Base interactions energy: -1717.220
where: short stacking energy: -718.602
Base-Backbone interact. energy: -1.764
local terms energy: -714.326431
where:
bonds (distance) C4'-P energy: -119.943
bonds (distance) P-C4' energy: -124.406
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -100.491
tors. eta vs tors. theta energy: -205.265
Dist. restrs. and SS energy: 4.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2412.438145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.438145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.408307 (E_RNA)
where:
Base-Base interactions energy: -1700.153
where: short stacking energy: -731.163
Base-Backbone interact. energy: 8.559
local terms energy: -726.815016
where:
bonds (distance) C4'-P energy: -116.943
bonds (distance) P-C4' energy: -119.621
flat angles C4'-P-C4' energy: -168.292
flat angles P-C4'-P energy: -108.045
tors. eta vs tors. theta energy: -213.913
Dist. restrs. and SS energy: 5.970 (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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2287.137100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.137100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.534544 (E_RNA)
where:
Base-Base interactions energy: -1627.195
where: short stacking energy: -685.019
Base-Backbone interact. energy: 0.738
local terms energy: -675.077653
where:
bonds (distance) C4'-P energy: -124.887
bonds (distance) P-C4' energy: -102.340
flat angles C4'-P-C4' energy: -152.989
flat angles P-C4'-P energy: -89.155
tors. eta vs tors. theta energy: -205.707
Dist. restrs. and SS energy: 14.397 (S_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: 385
Temperature: 1.250000
Total energy: -2192.358570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.358570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.676057 (E_RNA)
where:
Base-Base interactions energy: -1550.196
where: short stacking energy: -622.719
Base-Backbone interact. energy: -3.340
local terms energy: -650.140246
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -133.963
flat angles C4'-P-C4' energy: -148.737
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -183.855
Dist. restrs. and SS energy: 11.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -2059.744327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.744327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.633749 (E_RNA)
where:
Base-Base interactions energy: -1467.875
where: short stacking energy: -578.879
Base-Backbone interact. energy: -2.201
local terms energy: -604.557605
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -114.743
flat angles C4'-P-C4' energy: -131.415
flat angles P-C4'-P energy: -85.926
tors. eta vs tors. theta energy: -168.245
Dist. restrs. and SS energy: 14.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1938.447585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.447585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.761067 (E_RNA)
where:
Base-Base interactions energy: -1381.596
where: short stacking energy: -576.701
Base-Backbone interact. energy: -1.726
local terms energy: -574.438446
where:
bonds (distance) C4'-P energy: -92.329
bonds (distance) P-C4' energy: -124.701
flat angles C4'-P-C4' energy: -128.891
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -163.036
Dist. restrs. and SS energy: 19.313 (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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2755.032151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.032151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.040930 (E_RNA)
where:
Base-Base interactions energy: -1931.591
where: short stacking energy: -824.547
Base-Backbone interact. energy: -3.577
local terms energy: -822.872780
where:
bonds (distance) C4'-P energy: -147.771
bonds (distance) P-C4' energy: -151.065
flat angles C4'-P-C4' energy: -169.582
flat angles P-C4'-P energy: -111.428
tors. eta vs tors. theta energy: -243.027
Dist. restrs. and SS energy: 3.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2712.566047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.566047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.193688 (E_RNA)
where:
Base-Base interactions energy: -1910.721
where: short stacking energy: -814.220
Base-Backbone interact. energy: -0.682
local terms energy: -804.790916
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -143.805
flat angles C4'-P-C4' energy: -157.220
flat angles P-C4'-P energy: -116.726
tors. eta vs tors. theta energy: -247.315
Dist. restrs. and SS energy: 3.628 (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: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2621.996848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.996848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.041792 (E_RNA)
where:
Base-Base interactions energy: -1844.246
where: short stacking energy: -800.748
Base-Backbone interact. energy: 1.637
local terms energy: -784.432293
where:
bonds (distance) C4'-P energy: -141.187
bonds (distance) P-C4' energy: -131.684
flat angles C4'-P-C4' energy: -168.446
flat angles P-C4'-P energy: -104.245
tors. eta vs tors. theta energy: -238.871
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2534.201987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.201987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.441643 (E_RNA)
where:
Base-Base interactions energy: -1778.324
where: short stacking energy: -748.432
Base-Backbone interact. energy: 4.039
local terms energy: -763.156866
where:
bonds (distance) C4'-P energy: -117.216
bonds (distance) P-C4' energy: -142.271
flat angles C4'-P-C4' energy: -162.324
flat angles P-C4'-P energy: -100.505
tors. eta vs tors. theta energy: -240.840
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2463.132929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.132929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.379086 (E_RNA)
where:
Base-Base interactions energy: -1741.422
where: short stacking energy: -747.509
Base-Backbone interact. energy: -1.511
local terms energy: -728.445910
where:
bonds (distance) C4'-P energy: -114.351
bonds (distance) P-C4' energy: -117.624
flat angles C4'-P-C4' energy: -164.496
flat angles P-C4'-P energy: -105.262
tors. eta vs tors. theta energy: -226.713
Dist. restrs. and SS energy: 8.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2392.676338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.676338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.253461 (E_RNA)
where:
Base-Base interactions energy: -1671.240
where: short stacking energy: -704.655
Base-Backbone interact. energy: -3.066
local terms energy: -725.947317
where:
bonds (distance) C4'-P energy: -129.727
bonds (distance) P-C4' energy: -132.165
flat angles C4'-P-C4' energy: -148.944
flat angles P-C4'-P energy: -96.802
tors. eta vs tors. theta energy: -218.310
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: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2274.137950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.137950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.945025 (E_RNA)
where:
Base-Base interactions energy: -1586.136
where: short stacking energy: -662.132
Base-Backbone interact. energy: 0.313
local terms energy: -700.122466
where:
bonds (distance) C4'-P energy: -132.492
bonds (distance) P-C4' energy: -132.946
flat angles C4'-P-C4' energy: -139.565
flat angles P-C4'-P energy: -98.838
tors. eta vs tors. theta energy: -196.281
Dist. restrs. and SS energy: 11.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2205.011294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.011294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.536604 (E_RNA)
where:
Base-Base interactions energy: -1553.086
where: short stacking energy: -647.644
Base-Backbone interact. energy: -2.059
local terms energy: -662.391498
where:
bonds (distance) C4'-P energy: -94.123
bonds (distance) P-C4' energy: -129.809
flat angles C4'-P-C4' energy: -141.329
flat angles P-C4'-P energy: -94.807
tors. eta vs tors. theta energy: -202.324
Dist. restrs. and SS energy: 12.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -2045.451817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.451817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.625954 (E_RNA)
where:
Base-Base interactions energy: -1453.991
where: short stacking energy: -609.923
Base-Backbone interact. energy: 0.207
local terms energy: -611.841978
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -121.485
flat angles C4'-P-C4' energy: -133.780
flat angles P-C4'-P energy: -84.419
tors. eta vs tors. theta energy: -170.956
Dist. restrs. and SS energy: 20.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1953.745087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.745087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.291645 (E_RNA)
where:
Base-Base interactions energy: -1369.945
where: short stacking energy: -583.009
Base-Backbone interact. energy: 2.724
local terms energy: -606.070351
where:
bonds (distance) C4'-P energy: -90.328
bonds (distance) P-C4' energy: -131.175
flat angles C4'-P-C4' energy: -145.457
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -170.020
Dist. restrs. and SS energy: 19.547 (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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2758.846781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.846781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.743961 (E_RNA)
where:
Base-Base interactions energy: -1936.711
where: short stacking energy: -812.331
Base-Backbone interact. energy: -1.971
local terms energy: -823.061451
where:
bonds (distance) C4'-P energy: -138.200
bonds (distance) P-C4' energy: -156.711
flat angles C4'-P-C4' energy: -177.443
flat angles P-C4'-P energy: -117.321
tors. eta vs tors. theta energy: -233.385
Dist. restrs. and SS energy: 2.897 (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: 387
Temperature: 0.950000
Total energy: -2698.559484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.559484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.498625 (E_RNA)
where:
Base-Base interactions energy: -1887.541
where: short stacking energy: -808.964
Base-Backbone interact. energy: -2.738
local terms energy: -812.219861
where:
bonds (distance) C4'-P energy: -142.795
bonds (distance) P-C4' energy: -144.556
flat angles C4'-P-C4' energy: -171.425
flat angles P-C4'-P energy: -109.546
tors. eta vs tors. theta energy: -243.898
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2602.674169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.674169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.668958 (E_RNA)
where:
Base-Base interactions energy: -1823.599
where: short stacking energy: -770.542
Base-Backbone interact. energy: -1.185
local terms energy: -781.885076
where:
bonds (distance) C4'-P energy: -151.478
bonds (distance) P-C4' energy: -131.150
flat angles C4'-P-C4' energy: -163.426
flat angles P-C4'-P energy: -103.725
tors. eta vs tors. theta energy: -232.106
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: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2527.275554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.275554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.943394 (E_RNA)
where:
Base-Base interactions energy: -1766.942
where: short stacking energy: -744.891
Base-Backbone interact. energy: -3.120
local terms energy: -760.881636
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -143.222
flat angles C4'-P-C4' energy: -157.626
flat angles P-C4'-P energy: -110.288
tors. eta vs tors. theta energy: -229.016
Dist. restrs. and SS energy: 3.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2439.562431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.562431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.783167 (E_RNA)
where:
Base-Base interactions energy: -1715.996
where: short stacking energy: -703.382
Base-Backbone interact. energy: -0.036
local terms energy: -729.750706
where:
bonds (distance) C4'-P energy: -122.073
bonds (distance) P-C4' energy: -142.446
flat angles C4'-P-C4' energy: -154.587
flat angles P-C4'-P energy: -96.254
tors. eta vs tors. theta energy: -214.392
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: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2307.889821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.889821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.188873 (E_RNA)
where:
Base-Base interactions energy: -1633.931
where: short stacking energy: -687.604
Base-Backbone interact. energy: 3.182
local terms energy: -687.440176
where:
bonds (distance) C4'-P energy: -128.454
bonds (distance) P-C4' energy: -123.824
flat angles C4'-P-C4' energy: -154.701
flat angles P-C4'-P energy: -78.425
tors. eta vs tors. theta energy: -202.036
Dist. restrs. and SS energy: 10.299 (S_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: 387
Temperature: 1.200000
Total energy: -2297.909014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.909014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.229692 (E_RNA)
where:
Base-Base interactions energy: -1651.843
where: short stacking energy: -677.966
Base-Backbone interact. energy: -4.372
local terms energy: -650.015111
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -99.833
flat angles C4'-P-C4' energy: -153.196
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -195.645
Dist. restrs. and SS energy: 8.321 (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: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2231.732809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.732809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.125164 (E_RNA)
where:
Base-Base interactions energy: -1559.139
where: short stacking energy: -647.403
Base-Backbone interact. energy: -2.817
local terms energy: -685.169672
where:
bonds (distance) C4'-P energy: -126.976
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -137.731
flat angles P-C4'-P energy: -91.946
tors. eta vs tors. theta energy: -200.277
Dist. restrs. and SS energy: 15.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -2121.404102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.404102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.229977 (E_RNA)
where:
Base-Base interactions energy: -1496.974
where: short stacking energy: -616.928
Base-Backbone interact. energy: -0.134
local terms energy: -633.121765
where:
bonds (distance) C4'-P energy: -111.474
bonds (distance) P-C4' energy: -113.585
flat angles C4'-P-C4' energy: -129.145
flat angles P-C4'-P energy: -98.204
tors. eta vs tors. theta energy: -180.714
Dist. restrs. and SS energy: 8.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1949.657291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.657291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.261089 (E_RNA)
where:
Base-Base interactions energy: -1394.842
where: short stacking energy: -574.678
Base-Backbone interact. energy: -3.270
local terms energy: -581.149949
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -110.733
flat angles C4'-P-C4' energy: -130.346
flat angles P-C4'-P energy: -84.820
tors. eta vs tors. theta energy: -172.463
Dist. restrs. and SS energy: 29.604 (S_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: 388
Temperature: 0.900000
Total energy: -2767.541226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.541226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.540754 (E_RNA)
where:
Base-Base interactions energy: -1938.541
where: short stacking energy: -830.576
Base-Backbone interact. energy: -2.509
local terms energy: -829.490339
where:
bonds (distance) C4'-P energy: -146.030
bonds (distance) P-C4' energy: -144.296
flat angles C4'-P-C4' energy: -168.733
flat angles P-C4'-P energy: -127.521
tors. eta vs tors. theta energy: -242.910
Dist. restrs. and SS energy: 3.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2723.920171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.920171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.862093 (E_RNA)
where:
Base-Base interactions energy: -1911.798
where: short stacking energy: -806.840
Base-Backbone interact. energy: -1.527
local terms energy: -814.536510
where:
bonds (distance) C4'-P energy: -155.719
bonds (distance) P-C4' energy: -142.334
flat angles C4'-P-C4' energy: -159.870
flat angles P-C4'-P energy: -107.450
tors. eta vs tors. theta energy: -249.163
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2626.063072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.063072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.511934 (E_RNA)
where:
Base-Base interactions energy: -1847.134
where: short stacking energy: -765.860
Base-Backbone interact. energy: -1.869
local terms energy: -779.509010
where:
bonds (distance) C4'-P energy: -138.263
bonds (distance) P-C4' energy: -143.972
flat angles C4'-P-C4' energy: -153.089
flat angles P-C4'-P energy: -107.490
tors. eta vs tors. theta energy: -236.694
Dist. restrs. and SS energy: 2.449 (S_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: 388
Temperature: 1.050000
Total energy: -2544.605757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.605757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.542088 (E_RNA)
where:
Base-Base interactions energy: -1779.661
where: short stacking energy: -746.996
Base-Backbone interact. energy: -6.456
local terms energy: -764.424717
where:
bonds (distance) C4'-P energy: -142.829
bonds (distance) P-C4' energy: -124.339
flat angles C4'-P-C4' energy: -156.524
flat angles P-C4'-P energy: -117.440
tors. eta vs tors. theta energy: -223.294
Dist. restrs. and SS energy: 5.936 (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: 388
Temperature: 1.100000
Total energy: -2417.494130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.685361 (E_RNA)
where:
Base-Base interactions energy: -1699.130
where: short stacking energy: -706.446
Base-Backbone interact. energy: -2.190
local terms energy: -721.366140
where:
bonds (distance) C4'-P energy: -117.908
bonds (distance) P-C4' energy: -141.952
flat angles C4'-P-C4' energy: -159.086
flat angles P-C4'-P energy: -95.142
tors. eta vs tors. theta energy: -207.279
Dist. restrs. and SS energy: 5.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2314.162810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.162810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.471984 (E_RNA)
where:
Base-Base interactions energy: -1624.576
where: short stacking energy: -696.813
Base-Backbone interact. energy: -1.422
local terms energy: -694.473539
where:
bonds (distance) C4'-P energy: -123.799
bonds (distance) P-C4' energy: -118.199
flat angles C4'-P-C4' energy: -150.628
flat angles P-C4'-P energy: -81.184
tors. eta vs tors. theta energy: -220.664
Dist. restrs. and SS energy: 6.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2310.911692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.911692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.013359 (E_RNA)
where:
Base-Base interactions energy: -1642.801
where: short stacking energy: -690.491
Base-Backbone interact. energy: 8.435
local terms energy: -688.647104
where:
bonds (distance) C4'-P energy: -114.429
bonds (distance) P-C4' energy: -121.148
flat angles C4'-P-C4' energy: -144.270
flat angles P-C4'-P energy: -102.579
tors. eta vs tors. theta energy: -206.222
Dist. restrs. and SS energy: 12.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2219.995265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.995265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.327542 (E_RNA)
where:
Base-Base interactions energy: -1555.447
where: short stacking energy: -648.459
Base-Backbone interact. energy: 3.708
local terms energy: -680.589036
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -124.264
flat angles C4'-P-C4' energy: -156.662
flat angles P-C4'-P energy: -90.234
tors. eta vs tors. theta energy: -191.495
Dist. restrs. and SS energy: 12.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -2119.576709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.576709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.073506 (E_RNA)
where:
Base-Base interactions energy: -1455.556
where: short stacking energy: -623.300
Base-Backbone interact. energy: -1.503
local terms energy: -674.014948
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -153.794
flat angles P-C4'-P energy: -85.110
tors. eta vs tors. theta energy: -180.622
Dist. restrs. and SS energy: 11.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1919.622083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.622083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.683722 (E_RNA)
where:
Base-Base interactions energy: -1336.880
where: short stacking energy: -551.762
Base-Backbone interact. energy: 0.249
local terms energy: -603.053043
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -128.555
flat angles C4'-P-C4' energy: -141.276
flat angles P-C4'-P energy: -70.583
tors. eta vs tors. theta energy: -157.554
Dist. restrs. and SS energy: 20.062 (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: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2787.968202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.968202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.372195 (E_RNA)
where:
Base-Base interactions energy: -1909.709
where: short stacking energy: -833.568
Base-Backbone interact. energy: -5.841
local terms energy: -875.821843
where:
bonds (distance) C4'-P energy: -151.405
bonds (distance) P-C4' energy: -159.242
flat angles C4'-P-C4' energy: -183.682
flat angles P-C4'-P energy: -129.178
tors. eta vs tors. theta energy: -252.315
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2770.633395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.633395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.895353 (E_RNA)
where:
Base-Base interactions energy: -1947.676
where: short stacking energy: -839.589
Base-Backbone interact. energy: 1.544
local terms energy: -828.763744
where:
bonds (distance) C4'-P energy: -135.498
bonds (distance) P-C4' energy: -146.732
flat angles C4'-P-C4' energy: -177.377
flat angles P-C4'-P energy: -120.049
tors. eta vs tors. theta energy: -249.108
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2625.421113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.421113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.651271 (E_RNA)
where:
Base-Base interactions energy: -1840.347
where: short stacking energy: -795.837
Base-Backbone interact. energy: -3.837
local terms energy: -786.467501
where:
bonds (distance) C4'-P energy: -137.386
bonds (distance) P-C4' energy: -143.793
flat angles C4'-P-C4' energy: -159.313
flat angles P-C4'-P energy: -108.610
tors. eta vs tors. theta energy: -237.366
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2511.650645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.650645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.343653 (E_RNA)
where:
Base-Base interactions energy: -1760.577
where: short stacking energy: -756.588
Base-Backbone interact. energy: 2.292
local terms energy: -757.058573
where:
bonds (distance) C4'-P energy: -127.853
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -151.670
flat angles P-C4'-P energy: -108.735
tors. eta vs tors. theta energy: -217.381
Dist. restrs. and SS energy: 3.693 (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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2421.428853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.428853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.428394 (E_RNA)
where:
Base-Base interactions energy: -1719.877
where: short stacking energy: -719.847
Base-Backbone interact. energy: 3.087
local terms energy: -712.638137
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -138.147
flat angles C4'-P-C4' energy: -149.929
flat angles P-C4'-P energy: -96.824
tors. eta vs tors. theta energy: -200.013
Dist. restrs. and SS energy: 8.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2384.944491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.944491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.046123 (E_RNA)
where:
Base-Base interactions energy: -1689.363
where: short stacking energy: -720.276
Base-Backbone interact. energy: 2.627
local terms energy: -711.309711
where:
bonds (distance) C4'-P energy: -115.579
bonds (distance) P-C4' energy: -129.122
flat angles C4'-P-C4' energy: -152.339
flat angles P-C4'-P energy: -105.371
tors. eta vs tors. theta energy: -208.898
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: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2325.495641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.495641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.517980 (E_RNA)
where:
Base-Base interactions energy: -1652.904
where: short stacking energy: -703.645
Base-Backbone interact. energy: -1.074
local terms energy: -679.540108
where:
bonds (distance) C4'-P energy: -116.074
bonds (distance) P-C4' energy: -125.216
flat angles C4'-P-C4' energy: -146.547
flat angles P-C4'-P energy: -82.949
tors. eta vs tors. theta energy: -208.754
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: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2225.824940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.824940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.486177 (E_RNA)
where:
Base-Base interactions energy: -1556.907
where: short stacking energy: -645.276
Base-Backbone interact. energy: -0.380
local terms energy: -679.198670
where:
bonds (distance) C4'-P energy: -111.971
bonds (distance) P-C4' energy: -135.552
flat angles C4'-P-C4' energy: -140.721
flat angles P-C4'-P energy: -99.367
tors. eta vs tors. theta energy: -191.587
Dist. restrs. and SS energy: 10.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -2134.608118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.608118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.419575 (E_RNA)
where:
Base-Base interactions energy: -1498.118
where: short stacking energy: -629.295
Base-Backbone interact. energy: 2.994
local terms energy: -651.295430
where:
bonds (distance) C4'-P energy: -109.890
bonds (distance) P-C4' energy: -121.770
flat angles C4'-P-C4' energy: -138.934
flat angles P-C4'-P energy: -90.121
tors. eta vs tors. theta energy: -190.581
Dist. restrs. and SS energy: 11.811 (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: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1886.919359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.919359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.430216 (E_RNA)
where:
Base-Base interactions energy: -1336.778
where: short stacking energy: -537.088
Base-Backbone interact. energy: 5.524
local terms energy: -576.175638
where:
bonds (distance) C4'-P energy: -114.373
bonds (distance) P-C4' energy: -106.866
flat angles C4'-P-C4' energy: -113.440
flat angles P-C4'-P energy: -79.280
tors. eta vs tors. theta energy: -162.216
Dist. restrs. and SS energy: 20.511 (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: 390
Temperature: 0.900000
Total energy: -2747.637763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.637763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.279610 (E_RNA)
where:
Base-Base interactions energy: -1909.173
where: short stacking energy: -821.144
Base-Backbone interact. energy: -3.033
local terms energy: -840.073303
where:
bonds (distance) C4'-P energy: -149.017
bonds (distance) P-C4' energy: -138.505
flat angles C4'-P-C4' energy: -173.834
flat angles P-C4'-P energy: -119.177
tors. eta vs tors. theta energy: -259.540
Dist. restrs. and SS energy: 4.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2722.678888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.678888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.189541 (E_RNA)
where:
Base-Base interactions energy: -1906.281
where: short stacking energy: -818.760
Base-Backbone interact. energy: -2.593
local terms energy: -818.315539
where:
bonds (distance) C4'-P energy: -147.825
bonds (distance) P-C4' energy: -149.005
flat angles C4'-P-C4' energy: -165.151
flat angles P-C4'-P energy: -119.525
tors. eta vs tors. theta energy: -236.809
Dist. restrs. and SS energy: 4.511 (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: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2587.729309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.729309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.937876 (E_RNA)
where:
Base-Base interactions energy: -1813.311
where: short stacking energy: -771.390
Base-Backbone interact. energy: -3.465
local terms energy: -778.161744
where:
bonds (distance) C4'-P energy: -122.137
bonds (distance) P-C4' energy: -156.078
flat angles C4'-P-C4' energy: -164.084
flat angles P-C4'-P energy: -112.217
tors. eta vs tors. theta energy: -223.645
Dist. restrs. and SS energy: 7.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2505.816818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.816818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.036014 (E_RNA)
where:
Base-Base interactions energy: -1760.865
where: short stacking energy: -761.216
Base-Backbone interact. energy: -3.947
local terms energy: -745.224641
where:
bonds (distance) C4'-P energy: -120.607
bonds (distance) P-C4' energy: -142.886
flat angles C4'-P-C4' energy: -155.029
flat angles P-C4'-P energy: -102.407
tors. eta vs tors. theta energy: -224.295
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: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2476.362440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.362440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.341594 (E_RNA)
where:
Base-Base interactions energy: -1727.838
where: short stacking energy: -743.784
Base-Backbone interact. energy: -3.413
local terms energy: -753.090535
where:
bonds (distance) C4'-P energy: -122.167
bonds (distance) P-C4' energy: -141.991
flat angles C4'-P-C4' energy: -157.625
flat angles P-C4'-P energy: -108.438
tors. eta vs tors. theta energy: -222.869
Dist. restrs. and SS energy: 7.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2369.534270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.534270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.906182 (E_RNA)
where:
Base-Base interactions energy: -1666.706
where: short stacking energy: -706.308
Base-Backbone interact. energy: 2.156
local terms energy: -712.355822
where:
bonds (distance) C4'-P energy: -106.973
bonds (distance) P-C4' energy: -129.785
flat angles C4'-P-C4' energy: -157.673
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -214.662
Dist. restrs. and SS energy: 7.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2252.307922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.307922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.237017 (E_RNA)
where:
Base-Base interactions energy: -1574.005
where: short stacking energy: -645.913
Base-Backbone interact. energy: -2.709
local terms energy: -682.523336
where:
bonds (distance) C4'-P energy: -134.565
bonds (distance) P-C4' energy: -111.671
flat angles C4'-P-C4' energy: -150.847
flat angles P-C4'-P energy: -98.260
tors. eta vs tors. theta energy: -187.181
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: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2199.927223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.253383 (E_RNA)
where:
Base-Base interactions energy: -1539.543
where: short stacking energy: -656.330
Base-Backbone interact. energy: 0.833
local terms energy: -675.543507
where:
bonds (distance) C4'-P energy: -129.155
bonds (distance) P-C4' energy: -116.707
flat angles C4'-P-C4' energy: -140.701
flat angles P-C4'-P energy: -91.973
tors. eta vs tors. theta energy: -197.007
Dist. restrs. and SS energy: 14.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -2162.513267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.513267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.151678 (E_RNA)
where:
Base-Base interactions energy: -1526.783
where: short stacking energy: -642.097
Base-Backbone interact. energy: -3.733
local terms energy: -638.634883
where:
bonds (distance) C4'-P energy: -100.620
bonds (distance) P-C4' energy: -123.109
flat angles C4'-P-C4' energy: -133.268
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -189.465
Dist. restrs. and SS energy: 6.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1895.696512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.696512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.510698 (E_RNA)
where:
Base-Base interactions energy: -1343.279
where: short stacking energy: -554.624
Base-Backbone interact. energy: -3.071
local terms energy: -568.161288
where:
bonds (distance) C4'-P energy: -108.764
bonds (distance) P-C4' energy: -128.856
flat angles C4'-P-C4' energy: -120.524
flat angles P-C4'-P energy: -68.785
tors. eta vs tors. theta energy: -141.233
Dist. restrs. and SS energy: 18.814 (S_DIST_RNA)
chem. 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: -2764.631375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.631375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.429960 (E_RNA)
where:
Base-Base interactions energy: -1931.273
where: short stacking energy: -845.290
Base-Backbone interact. energy: 1.915
local terms energy: -841.072353
where:
bonds (distance) C4'-P energy: -157.522
bonds (distance) P-C4' energy: -149.157
flat angles C4'-P-C4' energy: -169.265
flat angles P-C4'-P energy: -111.991
tors. eta vs tors. theta energy: -253.137
Dist. restrs. and SS energy: 5.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2682.194994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.194994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.689134 (E_RNA)
where:
Base-Base interactions energy: -1891.767
where: short stacking energy: -786.514
Base-Backbone interact. energy: -1.024
local terms energy: -791.897573
where:
bonds (distance) C4'-P energy: -138.247
bonds (distance) P-C4' energy: -139.104
flat angles C4'-P-C4' energy: -170.720
flat angles P-C4'-P energy: -112.878
tors. eta vs tors. theta energy: -230.949
Dist. restrs. and SS energy: 2.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2612.286296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.286296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.453943 (E_RNA)
where:
Base-Base interactions energy: -1828.062
where: short stacking energy: -796.141
Base-Backbone interact. energy: 2.025
local terms energy: -791.416504
where:
bonds (distance) C4'-P energy: -144.219
bonds (distance) P-C4' energy: -125.232
flat angles C4'-P-C4' energy: -165.775
flat angles P-C4'-P energy: -114.739
tors. eta vs tors. theta energy: -241.451
Dist. restrs. and SS energy: 5.168 (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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2530.130417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.130417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.716993 (E_RNA)
where:
Base-Base interactions energy: -1766.663
where: short stacking energy: -756.190
Base-Backbone interact. energy: -3.528
local terms energy: -764.526262
where:
bonds (distance) C4'-P energy: -123.661
bonds (distance) P-C4' energy: -144.495
flat angles C4'-P-C4' energy: -146.708
flat angles P-C4'-P energy: -119.011
tors. eta vs tors. theta energy: -230.651
Dist. restrs. and SS energy: 4.587 (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: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2447.654837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.654837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.631975 (E_RNA)
where:
Base-Base interactions energy: -1733.408
where: short stacking energy: -733.324
Base-Backbone interact. energy: -1.445
local terms energy: -717.778710
where:
bonds (distance) C4'-P energy: -113.358
bonds (distance) P-C4' energy: -124.881
flat angles C4'-P-C4' energy: -150.469
flat angles P-C4'-P energy: -109.343
tors. eta vs tors. theta energy: -219.728
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2381.203147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.203147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.086771 (E_RNA)
where:
Base-Base interactions energy: -1668.851
where: short stacking energy: -685.312
Base-Backbone interact. energy: -0.553
local terms energy: -717.682338
where:
bonds (distance) C4'-P energy: -141.341
bonds (distance) P-C4' energy: -122.548
flat angles C4'-P-C4' energy: -156.691
flat angles P-C4'-P energy: -97.243
tors. eta vs tors. theta energy: -199.859
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2308.094222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.094222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.263407 (E_RNA)
where:
Base-Base interactions energy: -1644.647
where: short stacking energy: -689.266
Base-Backbone interact. energy: -2.233
local terms energy: -669.383306
where:
bonds (distance) C4'-P energy: -114.988
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -156.011
flat angles P-C4'-P energy: -91.543
tors. eta vs tors. theta energy: -196.806
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: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2197.071403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.071403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.318010 (E_RNA)
where:
Base-Base interactions energy: -1546.655
where: short stacking energy: -675.461
Base-Backbone interact. energy: -3.939
local terms energy: -657.724363
where:
bonds (distance) C4'-P energy: -113.160
bonds (distance) P-C4' energy: -96.441
flat angles C4'-P-C4' energy: -152.352
flat angles P-C4'-P energy: -93.593
tors. eta vs tors. theta energy: -202.178
Dist. restrs. and SS energy: 11.247 (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: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -2105.167853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.167853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.584207 (E_RNA)
where:
Base-Base interactions energy: -1492.545
where: short stacking energy: -622.023
Base-Backbone interact. energy: 5.722
local terms energy: -627.762101
where:
bonds (distance) C4'-P energy: -112.519
bonds (distance) P-C4' energy: -119.537
flat angles C4'-P-C4' energy: -128.684
flat angles P-C4'-P energy: -88.843
tors. eta vs tors. theta energy: -178.180
Dist. restrs. and SS energy: 9.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1863.893005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.893005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.240602 (E_RNA)
where:
Base-Base interactions energy: -1296.731
where: short stacking energy: -542.562
Base-Backbone interact. energy: 0.908
local terms energy: -595.417227
where:
bonds (distance) C4'-P energy: -115.282
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -127.165
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -142.038
Dist. restrs. and SS energy: 27.348 (S_DIST_RNA)
chem. 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: -2759.406306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.406306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.262379 (E_RNA)
where:
Base-Base interactions energy: -1921.676
where: short stacking energy: -843.250
Base-Backbone interact. energy: -0.187
local terms energy: -843.398865
where:
bonds (distance) C4'-P energy: -138.974
bonds (distance) P-C4' energy: -150.818
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -122.924
tors. eta vs tors. theta energy: -261.568
Dist. restrs. and SS energy: 5.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2713.632347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.632347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.876165 (E_RNA)
where:
Base-Base interactions energy: -1895.588
where: short stacking energy: -802.056
Base-Backbone interact. energy: 0.694
local terms energy: -822.981915
where:
bonds (distance) C4'-P energy: -145.786
bonds (distance) P-C4' energy: -152.848
flat angles C4'-P-C4' energy: -165.401
flat angles P-C4'-P energy: -116.088
tors. eta vs tors. theta energy: -242.859
Dist. restrs. and SS energy: 4.244 (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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2576.956006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.956006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.875098 (E_RNA)
where:
Base-Base interactions energy: -1805.754
where: short stacking energy: -788.053
Base-Backbone interact. energy: 2.023
local terms energy: -780.144092
where:
bonds (distance) C4'-P energy: -136.738
bonds (distance) P-C4' energy: -143.729
flat angles C4'-P-C4' energy: -161.466
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -230.362
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: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2500.349709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.349709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.430597 (E_RNA)
where:
Base-Base interactions energy: -1765.637
where: short stacking energy: -740.818
Base-Backbone interact. energy: -1.724
local terms energy: -737.069316
where:
bonds (distance) C4'-P energy: -141.873
bonds (distance) P-C4' energy: -109.745
flat angles C4'-P-C4' energy: -142.881
flat angles P-C4'-P energy: -113.027
tors. eta vs tors. theta energy: -229.543
Dist. restrs. and SS energy: 4.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2451.033743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.033743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.088808 (E_RNA)
where:
Base-Base interactions energy: -1743.385
where: short stacking energy: -713.766
Base-Backbone interact. energy: -0.111
local terms energy: -713.593192
where:
bonds (distance) C4'-P energy: -125.700
bonds (distance) P-C4' energy: -124.152
flat angles C4'-P-C4' energy: -145.958
flat angles P-C4'-P energy: -102.651
tors. eta vs tors. theta energy: -215.132
Dist. restrs. and SS energy: 6.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2349.411188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.411188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.229631 (E_RNA)
where:
Base-Base interactions energy: -1651.828
where: short stacking energy: -687.168
Base-Backbone interact. energy: -2.845
local terms energy: -699.556583
where:
bonds (distance) C4'-P energy: -129.778
bonds (distance) P-C4' energy: -131.108
flat angles C4'-P-C4' energy: -139.147
flat angles P-C4'-P energy: -104.299
tors. eta vs tors. theta energy: -195.224
Dist. restrs. and SS energy: 4.818 (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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2322.253041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.253041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.878724 (E_RNA)
where:
Base-Base interactions energy: -1632.437
where: short stacking energy: -678.675
Base-Backbone interact. energy: 5.737
local terms energy: -702.178708
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -125.659
flat angles C4'-P-C4' energy: -153.975
flat angles P-C4'-P energy: -88.815
tors. eta vs tors. theta energy: -214.029
Dist. restrs. and SS energy: 6.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2194.211560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.977711 (E_RNA)
where:
Base-Base interactions energy: -1523.911
where: short stacking energy: -647.755
Base-Backbone interact. energy: 3.207
local terms energy: -685.273764
where:
bonds (distance) C4'-P energy: -124.709
bonds (distance) P-C4' energy: -108.852
flat angles C4'-P-C4' energy: -138.479
flat angles P-C4'-P energy: -103.162
tors. eta vs tors. theta energy: -210.071
Dist. restrs. and SS energy: 11.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -2089.875041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.875041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.688184 (E_RNA)
where:
Base-Base interactions energy: -1485.202
where: short stacking energy: -629.643
Base-Backbone interact. energy: -2.539
local terms energy: -617.947040
where:
bonds (distance) C4'-P energy: -102.385
bonds (distance) P-C4' energy: -99.092
flat angles C4'-P-C4' energy: -136.618
flat angles P-C4'-P energy: -90.448
tors. eta vs tors. theta energy: -189.404
Dist. restrs. and SS energy: 15.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1833.353675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.353675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.507971 (E_RNA)
where:
Base-Base interactions energy: -1303.299
where: short stacking energy: -546.231
Base-Backbone interact. energy: 6.813
local terms energy: -567.021692
where:
bonds (distance) C4'-P energy: -109.060
bonds (distance) P-C4' energy: -114.067
flat angles C4'-P-C4' energy: -135.152
flat angles P-C4'-P energy: -66.942
tors. eta vs tors. theta energy: -141.801
Dist. restrs. and SS energy: 30.154 (S_DIST_RNA)
chem. 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: -2762.210814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.210814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.114286 (E_RNA)
where:
Base-Base interactions energy: -1942.348
where: short stacking energy: -813.165
Base-Backbone interact. energy: -2.177
local terms energy: -823.589722
where:
bonds (distance) C4'-P energy: -149.208
bonds (distance) P-C4' energy: -132.348
flat angles C4'-P-C4' energy: -175.732
flat angles P-C4'-P energy: -113.218
tors. eta vs tors. theta energy: -253.083
Dist. restrs. and SS energy: 5.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2712.284189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.284189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.859079 (E_RNA)
where:
Base-Base interactions energy: -1908.042
where: short stacking energy: -819.500
Base-Backbone interact. energy: -1.842
local terms energy: -805.975094
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -125.681
flat angles C4'-P-C4' energy: -170.820
flat angles P-C4'-P energy: -126.473
tors. eta vs tors. theta energy: -242.868
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2594.239048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.239048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.329459 (E_RNA)
where:
Base-Base interactions energy: -1828.948
where: short stacking energy: -778.144
Base-Backbone interact. energy: -3.060
local terms energy: -766.321308
where:
bonds (distance) C4'-P energy: -122.332
bonds (distance) P-C4' energy: -138.553
flat angles C4'-P-C4' energy: -156.808
flat angles P-C4'-P energy: -117.900
tors. eta vs tors. theta energy: -230.728
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2557.830339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.830339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.663877 (E_RNA)
where:
Base-Base interactions energy: -1821.354
where: short stacking energy: -762.490
Base-Backbone interact. energy: -5.010
local terms energy: -735.299879
where:
bonds (distance) C4'-P energy: -131.474
bonds (distance) P-C4' energy: -137.283
flat angles C4'-P-C4' energy: -156.087
flat angles P-C4'-P energy: -90.681
tors. eta vs tors. theta energy: -219.775
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2441.184558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.184558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.168262 (E_RNA)
where:
Base-Base interactions energy: -1726.799
where: short stacking energy: -697.414
Base-Backbone interact. energy: -3.717
local terms energy: -713.652627
where:
bonds (distance) C4'-P energy: -130.679
bonds (distance) P-C4' energy: -139.468
flat angles C4'-P-C4' energy: -144.092
flat angles P-C4'-P energy: -98.208
tors. eta vs tors. theta energy: -201.206
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2334.100468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.100468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.516509 (E_RNA)
where:
Base-Base interactions energy: -1623.991
where: short stacking energy: -674.203
Base-Backbone interact. energy: -1.701
local terms energy: -717.824509
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -139.105
flat angles C4'-P-C4' energy: -161.560
flat angles P-C4'-P energy: -97.183
tors. eta vs tors. theta energy: -209.788
Dist. restrs. and SS energy: 9.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2290.021422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.021422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.896393 (E_RNA)
where:
Base-Base interactions energy: -1636.754
where: short stacking energy: -695.902
Base-Backbone interact. energy: -2.062
local terms energy: -658.080322
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -120.038
flat angles C4'-P-C4' energy: -129.746
flat angles P-C4'-P energy: -93.308
tors. eta vs tors. theta energy: -199.226
Dist. restrs. and SS energy: 6.875 (S_DIST_RNA)
chem. 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: -2109.774591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.774591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.528202 (E_RNA)
where:
Base-Base interactions energy: -1487.185
where: short stacking energy: -596.078
Base-Backbone interact. energy: -2.082
local terms energy: -630.260682
where:
bonds (distance) C4'-P energy: -101.514
bonds (distance) P-C4' energy: -129.858
flat angles C4'-P-C4' energy: -132.788
flat angles P-C4'-P energy: -89.944
tors. eta vs tors. theta energy: -176.157
Dist. restrs. and SS energy: 9.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -2138.824276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.824276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.643362 (E_RNA)
where:
Base-Base interactions energy: -1520.936
where: short stacking energy: -609.074
Base-Backbone interact. energy: -0.129
local terms energy: -632.578232
where:
bonds (distance) C4'-P energy: -116.513
bonds (distance) P-C4' energy: -99.634
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -82.177
tors. eta vs tors. theta energy: -187.408
Dist. restrs. and SS energy: 14.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1825.588253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.588253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.377287 (E_RNA)
where:
Base-Base interactions energy: -1294.471
where: short stacking energy: -529.034
Base-Backbone interact. energy: 2.047
local terms energy: -562.953325
where:
bonds (distance) C4'-P energy: -89.166
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -111.283
flat angles P-C4'-P energy: -100.834
tors. eta vs tors. theta energy: -142.085
Dist. restrs. and SS energy: 29.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2774.664182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.664182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.988445 (E_RNA)
where:
Base-Base interactions energy: -1943.003
where: short stacking energy: -823.242
Base-Backbone interact. energy: -2.482
local terms energy: -832.503194
where:
bonds (distance) C4'-P energy: -139.816
bonds (distance) P-C4' energy: -158.336
flat angles C4'-P-C4' energy: -174.247
flat angles P-C4'-P energy: -108.260
tors. eta vs tors. theta energy: -251.844
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2715.632140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.632140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.337276 (E_RNA)
where:
Base-Base interactions energy: -1901.586
where: short stacking energy: -788.434
Base-Backbone interact. energy: 2.203
local terms energy: -819.954383
where:
bonds (distance) C4'-P energy: -144.321
bonds (distance) P-C4' energy: -140.507
flat angles C4'-P-C4' energy: -173.695
flat angles P-C4'-P energy: -121.367
tors. eta vs tors. theta energy: -240.065
Dist. restrs. and SS energy: 3.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2602.409772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.409772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.719953 (E_RNA)
where:
Base-Base interactions energy: -1819.707
where: short stacking energy: -791.872
Base-Backbone interact. energy: -2.696
local terms energy: -785.316836
where:
bonds (distance) C4'-P energy: -143.446
bonds (distance) P-C4' energy: -126.850
flat angles C4'-P-C4' energy: -156.537
flat angles P-C4'-P energy: -123.127
tors. eta vs tors. theta energy: -235.357
Dist. restrs. and SS energy: 5.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2516.389600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.389600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.928004 (E_RNA)
where:
Base-Base interactions energy: -1758.222
where: short stacking energy: -731.672
Base-Backbone interact. energy: -4.869
local terms energy: -757.837051
where:
bonds (distance) C4'-P energy: -140.464
bonds (distance) P-C4' energy: -136.096
flat angles C4'-P-C4' energy: -160.308
flat angles P-C4'-P energy: -98.327
tors. eta vs tors. theta energy: -222.643
Dist. restrs. and SS energy: 4.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2435.228416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.228416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.634413 (E_RNA)
where:
Base-Base interactions energy: -1680.485
where: short stacking energy: -713.076
Base-Backbone interact. energy: -0.993
local terms energy: -760.156266
where:
bonds (distance) C4'-P energy: -124.894
bonds (distance) P-C4' energy: -146.047
flat angles C4'-P-C4' energy: -166.762
flat angles P-C4'-P energy: -105.073
tors. eta vs tors. theta energy: -217.380
Dist. restrs. and SS energy: 6.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2375.118231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.118231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.742322 (E_RNA)
where:
Base-Base interactions energy: -1679.021
where: short stacking energy: -735.870
Base-Backbone interact. energy: -3.078
local terms energy: -702.643840
where:
bonds (distance) C4'-P energy: -108.626
bonds (distance) P-C4' energy: -133.144
flat angles C4'-P-C4' energy: -146.678
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -217.789
Dist. restrs. and SS energy: 9.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2304.582598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.582598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.892892 (E_RNA)
where:
Base-Base interactions energy: -1639.167
where: short stacking energy: -695.043
Base-Backbone interact. energy: 0.944
local terms energy: -670.669868
where:
bonds (distance) C4'-P energy: -107.063
bonds (distance) P-C4' energy: -123.731
flat angles C4'-P-C4' energy: -141.575
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -211.012
Dist. restrs. and SS energy: 4.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2169.845203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.845203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.587235 (E_RNA)
where:
Base-Base interactions energy: -1518.037
where: short stacking energy: -626.834
Base-Backbone interact. energy: 0.927
local terms energy: -665.476843
where:
bonds (distance) C4'-P energy: -130.883
bonds (distance) P-C4' energy: -131.142
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -89.139
tors. eta vs tors. theta energy: -170.469
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -2096.254676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.254676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.851884 (E_RNA)
where:
Base-Base interactions energy: -1462.083
where: short stacking energy: -608.718
Base-Backbone interact. energy: -4.046
local terms energy: -643.722576
where:
bonds (distance) C4'-P energy: -109.291
bonds (distance) P-C4' energy: -115.069
flat angles C4'-P-C4' energy: -147.612
flat angles P-C4'-P energy: -87.708
tors. eta vs tors. theta energy: -184.042
Dist. restrs. and SS energy: 13.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1801.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.486424 (E_RNA)
where:
Base-Base interactions energy: -1256.861
where: short stacking energy: -487.539
Base-Backbone interact. energy: 0.016
local terms energy: -570.641655
where:
bonds (distance) C4'-P energy: -107.827
bonds (distance) P-C4' energy: -106.563
flat angles C4'-P-C4' energy: -141.225
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -134.815
Dist. restrs. and SS energy: 26.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2776.945049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.945049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.580829 (E_RNA)
where:
Base-Base interactions energy: -1945.661
where: short stacking energy: -826.801
Base-Backbone interact. energy: -2.050
local terms energy: -831.869614
where:
bonds (distance) C4'-P energy: -135.230
bonds (distance) P-C4' energy: -145.236
flat angles C4'-P-C4' energy: -175.025
flat angles P-C4'-P energy: -118.777
tors. eta vs tors. theta energy: -257.601
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2744.018891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.018891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.569831 (E_RNA)
where:
Base-Base interactions energy: -1932.733
where: short stacking energy: -824.641
Base-Backbone interact. energy: -2.478
local terms energy: -815.358126
where:
bonds (distance) C4'-P energy: -135.126
bonds (distance) P-C4' energy: -144.132
flat angles C4'-P-C4' energy: -179.219
flat angles P-C4'-P energy: -115.923
tors. eta vs tors. theta energy: -240.957
Dist. restrs. and SS energy: 6.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2633.902980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.902980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.483047 (E_RNA)
where:
Base-Base interactions energy: -1864.539
where: short stacking energy: -793.715
Base-Backbone interact. energy: 2.313
local terms energy: -774.256610
where:
bonds (distance) C4'-P energy: -122.099
bonds (distance) P-C4' energy: -131.663
flat angles C4'-P-C4' energy: -170.341
flat angles P-C4'-P energy: -108.485
tors. eta vs tors. theta energy: -241.668
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2495.363063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.363063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.665688 (E_RNA)
where:
Base-Base interactions energy: -1762.832
where: short stacking energy: -723.228
Base-Backbone interact. energy: -3.712
local terms energy: -732.121584
where:
bonds (distance) C4'-P energy: -124.851
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -164.470
flat angles P-C4'-P energy: -106.409
tors. eta vs tors. theta energy: -204.677
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2435.870176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.870176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.811628 (E_RNA)
where:
Base-Base interactions energy: -1714.599
where: short stacking energy: -730.304
Base-Backbone interact. energy: -1.142
local terms energy: -727.070357
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -135.557
flat angles C4'-P-C4' energy: -150.785
flat angles P-C4'-P energy: -110.052
tors. eta vs tors. theta energy: -216.005
Dist. restrs. and SS energy: 6.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2380.546441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.546441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.950226 (E_RNA)
where:
Base-Base interactions energy: -1682.466
where: short stacking energy: -713.652
Base-Backbone interact. energy: -2.215
local terms energy: -706.268845
where:
bonds (distance) C4'-P energy: -117.959
bonds (distance) P-C4' energy: -126.855
flat angles C4'-P-C4' energy: -145.762
flat angles P-C4'-P energy: -95.323
tors. eta vs tors. theta energy: -220.370
Dist. restrs. and SS energy: 10.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2304.548825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.548825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.633192 (E_RNA)
where:
Base-Base interactions energy: -1637.161
where: short stacking energy: -692.607
Base-Backbone interact. energy: 0.076
local terms energy: -677.548749
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -111.382
flat angles C4'-P-C4' energy: -152.376
flat angles P-C4'-P energy: -98.419
tors. eta vs tors. theta energy: -200.337
Dist. restrs. and SS energy: 10.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2170.017893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.017893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.346805 (E_RNA)
where:
Base-Base interactions energy: -1518.149
where: short stacking energy: -634.218
Base-Backbone interact. energy: -3.893
local terms energy: -656.304559
where:
bonds (distance) C4'-P energy: -114.869
bonds (distance) P-C4' energy: -117.837
flat angles C4'-P-C4' energy: -142.384
flat angles P-C4'-P energy: -89.233
tors. eta vs tors. theta energy: -191.983
Dist. restrs. and SS energy: 8.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -2137.557398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.557398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.175815 (E_RNA)
where:
Base-Base interactions energy: -1506.706
where: short stacking energy: -630.150
Base-Backbone interact. energy: -4.813
local terms energy: -635.656531
where:
bonds (distance) C4'-P energy: -132.854
bonds (distance) P-C4' energy: -109.660
flat angles C4'-P-C4' energy: -141.928
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -178.710
Dist. restrs. and SS energy: 9.618 (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: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1897.431460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.431460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.448013 (E_RNA)
where:
Base-Base interactions energy: -1351.204
where: short stacking energy: -554.986
Base-Backbone interact. energy: 2.144
local terms energy: -572.387944
where:
bonds (distance) C4'-P energy: -97.583
bonds (distance) P-C4' energy: -109.786
flat angles C4'-P-C4' energy: -127.243
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -160.653
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: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2806.891984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.891984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.079994 (E_RNA)
where:
Base-Base interactions energy: -1963.464
where: short stacking energy: -864.259
Base-Backbone interact. energy: -1.492
local terms energy: -845.123730
where:
bonds (distance) C4'-P energy: -146.909
bonds (distance) P-C4' energy: -145.793
flat angles C4'-P-C4' energy: -167.266
flat angles P-C4'-P energy: -122.229
tors. eta vs tors. theta energy: -262.926
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2691.264553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.264553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.291906 (E_RNA)
where:
Base-Base interactions energy: -1896.097
where: short stacking energy: -805.490
Base-Backbone interact. energy: -0.754
local terms energy: -798.440921
where:
bonds (distance) C4'-P energy: -141.121
bonds (distance) P-C4' energy: -158.729
flat angles C4'-P-C4' energy: -157.836
flat angles P-C4'-P energy: -104.459
tors. eta vs tors. theta energy: -236.295
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: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2596.062019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.062019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.971951 (E_RNA)
where:
Base-Base interactions energy: -1831.195
where: short stacking energy: -771.439
Base-Backbone interact. energy: -0.829
local terms energy: -766.948165
where:
bonds (distance) C4'-P energy: -130.103
bonds (distance) P-C4' energy: -142.390
flat angles C4'-P-C4' energy: -153.068
flat angles P-C4'-P energy: -114.975
tors. eta vs tors. theta energy: -226.413
Dist. restrs. and SS energy: 2.910 (S_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: 396
Temperature: 1.050000
Total energy: -2536.554645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.554645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.370815 (E_RNA)
where:
Base-Base interactions energy: -1773.862
where: short stacking energy: -742.851
Base-Backbone interact. energy: -5.090
local terms energy: -763.418546
where:
bonds (distance) C4'-P energy: -131.534
bonds (distance) P-C4' energy: -131.881
flat angles C4'-P-C4' energy: -172.865
flat angles P-C4'-P energy: -106.796
tors. eta vs tors. theta energy: -220.343
Dist. restrs. and SS energy: 5.816 (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: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2460.396405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.396405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.915024 (E_RNA)
where:
Base-Base interactions energy: -1733.929
where: short stacking energy: -724.502
Base-Backbone interact. energy: -0.912
local terms energy: -730.074195
where:
bonds (distance) C4'-P energy: -122.091
bonds (distance) P-C4' energy: -127.586
flat angles C4'-P-C4' energy: -151.713
flat angles P-C4'-P energy: -105.843
tors. eta vs tors. theta energy: -222.842
Dist. restrs. and SS energy: 4.519 (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: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2383.730306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.730306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.775486 (E_RNA)
where:
Base-Base interactions energy: -1659.654
where: short stacking energy: -694.209
Base-Backbone interact. energy: -2.839
local terms energy: -732.282311
where:
bonds (distance) C4'-P energy: -136.261
bonds (distance) P-C4' energy: -125.623
flat angles C4'-P-C4' energy: -160.819
flat angles P-C4'-P energy: -116.201
tors. eta vs tors. theta energy: -193.379
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2283.624442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.624442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.338019 (E_RNA)
where:
Base-Base interactions energy: -1589.035
where: short stacking energy: -653.445
Base-Backbone interact. energy: 2.504
local terms energy: -706.806327
where:
bonds (distance) C4'-P energy: -121.181
bonds (distance) P-C4' energy: -131.142
flat angles C4'-P-C4' energy: -156.626
flat angles P-C4'-P energy: -101.155
tors. eta vs tors. theta energy: -196.702
Dist. restrs. and SS energy: 9.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2177.251797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.251797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.984077 (E_RNA)
where:
Base-Base interactions energy: -1538.469
where: short stacking energy: -636.924
Base-Backbone interact. energy: -1.882
local terms energy: -644.632851
where:
bonds (distance) C4'-P energy: -108.056
bonds (distance) P-C4' energy: -132.829
flat angles C4'-P-C4' energy: -128.344
flat angles P-C4'-P energy: -94.881
tors. eta vs tors. theta energy: -180.523
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -2115.713362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.713362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.320164 (E_RNA)
where:
Base-Base interactions energy: -1497.273
where: short stacking energy: -598.932
Base-Backbone interact. energy: -1.037
local terms energy: -628.009706
where:
bonds (distance) C4'-P energy: -121.122
bonds (distance) P-C4' energy: -120.720
flat angles C4'-P-C4' energy: -132.926
flat angles P-C4'-P energy: -81.082
tors. eta vs tors. theta energy: -172.160
Dist. restrs. and SS energy: 10.607 (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: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1874.913562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.913562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.324992 (E_RNA)
where:
Base-Base interactions energy: -1293.104
where: short stacking energy: -550.822
Base-Backbone interact. energy: -1.459
local terms energy: -610.762453
where:
bonds (distance) C4'-P energy: -114.681
bonds (distance) P-C4' energy: -133.734
flat angles C4'-P-C4' energy: -124.758
flat angles P-C4'-P energy: -91.354
tors. eta vs tors. theta energy: -146.236
Dist. restrs. and SS energy: 30.411 (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: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2798.814431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.814431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.961100 (E_RNA)
where:
Base-Base interactions energy: -1957.521
where: short stacking energy: -845.906
Base-Backbone interact. energy: -3.073
local terms energy: -841.366709
where:
bonds (distance) C4'-P energy: -139.807
bonds (distance) P-C4' energy: -141.871
flat angles C4'-P-C4' energy: -174.501
flat angles P-C4'-P energy: -113.540
tors. eta vs tors. theta energy: -271.648
Dist. restrs. and SS energy: 3.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2704.345277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.345277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.948479 (E_RNA)
where:
Base-Base interactions energy: -1889.487
where: short stacking energy: -810.441
Base-Backbone interact. energy: -4.158
local terms energy: -814.303555
where:
bonds (distance) C4'-P energy: -146.382
bonds (distance) P-C4' energy: -147.592
flat angles C4'-P-C4' energy: -168.903
flat angles P-C4'-P energy: -102.862
tors. eta vs tors. theta energy: -248.564
Dist. restrs. and SS energy: 3.603 (S_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: 397
Temperature: 1.000000
Total energy: -2602.966187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.966187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.584181 (E_RNA)
where:
Base-Base interactions energy: -1834.542
where: short stacking energy: -791.168
Base-Backbone interact. energy: -4.629
local terms energy: -767.412739
where:
bonds (distance) C4'-P energy: -132.555
bonds (distance) P-C4' energy: -124.003
flat angles C4'-P-C4' energy: -171.868
flat angles P-C4'-P energy: -112.268
tors. eta vs tors. theta energy: -226.719
Dist. restrs. and SS energy: 3.618 (S_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: 397
Temperature: 1.050000
Total energy: -2565.078534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.444524 (E_RNA)
where:
Base-Base interactions energy: -1805.526
where: short stacking energy: -768.452
Base-Backbone interact. energy: -0.910
local terms energy: -765.007701
where:
bonds (distance) C4'-P energy: -123.038
bonds (distance) P-C4' energy: -127.149
flat angles C4'-P-C4' energy: -178.438
flat angles P-C4'-P energy: -111.461
tors. eta vs tors. theta energy: -224.922
Dist. restrs. and SS energy: 6.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2456.329813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.329813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.814853 (E_RNA)
where:
Base-Base interactions energy: -1732.493
where: short stacking energy: -730.237
Base-Backbone interact. energy: 2.887
local terms energy: -731.209702
where:
bonds (distance) C4'-P energy: -119.512
bonds (distance) P-C4' energy: -128.218
flat angles C4'-P-C4' energy: -153.033
flat angles P-C4'-P energy: -108.346
tors. eta vs tors. theta energy: -222.101
Dist. restrs. and SS energy: 4.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2369.350513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.350513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.871147 (E_RNA)
where:
Base-Base interactions energy: -1654.324
where: short stacking energy: -706.445
Base-Backbone interact. energy: -1.586
local terms energy: -721.961022
where:
bonds (distance) C4'-P energy: -127.378
bonds (distance) P-C4' energy: -110.311
flat angles C4'-P-C4' energy: -166.087
flat angles P-C4'-P energy: -96.114
tors. eta vs tors. theta energy: -222.071
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: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2266.593985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.593985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.993578 (E_RNA)
where:
Base-Base interactions energy: -1607.463
where: short stacking energy: -660.668
Base-Backbone interact. energy: -1.510
local terms energy: -668.020941
where:
bonds (distance) C4'-P energy: -126.105
bonds (distance) P-C4' energy: -102.356
flat angles C4'-P-C4' energy: -145.370
flat angles P-C4'-P energy: -97.494
tors. eta vs tors. theta energy: -196.696
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: 397
Temperature: 1.250000
Total energy: -2217.746341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.746341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.430860 (E_RNA)
where:
Base-Base interactions energy: -1548.278
where: short stacking energy: -660.307
Base-Backbone interact. energy: -6.355
local terms energy: -669.798798
where:
bonds (distance) C4'-P energy: -115.833
bonds (distance) P-C4' energy: -112.851
flat angles C4'-P-C4' energy: -155.399
flat angles P-C4'-P energy: -93.935
tors. eta vs tors. theta energy: -191.781
Dist. restrs. and SS energy: 6.685 (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: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -2130.636480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.636480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.175660 (E_RNA)
where:
Base-Base interactions energy: -1518.323
where: short stacking energy: -639.136
Base-Backbone interact. energy: -2.586
local terms energy: -627.266876
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -122.349
flat angles C4'-P-C4' energy: -133.714
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -173.670
Dist. restrs. and SS energy: 17.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1991.329717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.329717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.117641 (E_RNA)
where:
Base-Base interactions energy: -1422.736
where: short stacking energy: -576.042
Base-Backbone interact. energy: -0.282
local terms energy: -591.099885
where:
bonds (distance) C4'-P energy: -87.046
bonds (distance) P-C4' energy: -122.321
flat angles C4'-P-C4' energy: -135.942
flat angles P-C4'-P energy: -82.969
tors. eta vs tors. theta energy: -162.821
Dist. restrs. and SS energy: 22.788 (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: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2795.468263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.468263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.223350 (E_RNA)
where:
Base-Base interactions energy: -1962.485
where: short stacking energy: -842.173
Base-Backbone interact. energy: -2.367
local terms energy: -835.371217
where:
bonds (distance) C4'-P energy: -135.736
bonds (distance) P-C4' energy: -149.452
flat angles C4'-P-C4' energy: -166.410
flat angles P-C4'-P energy: -121.021
tors. eta vs tors. theta energy: -262.753
Dist. restrs. and SS energy: 4.755 (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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2711.604690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.604690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.914688 (E_RNA)
where:
Base-Base interactions energy: -1932.464
where: short stacking energy: -829.034
Base-Backbone interact. energy: -2.890
local terms energy: -778.560853
where:
bonds (distance) C4'-P energy: -114.709
bonds (distance) P-C4' energy: -135.040
flat angles C4'-P-C4' energy: -170.725
flat angles P-C4'-P energy: -119.015
tors. eta vs tors. theta energy: -239.071
Dist. restrs. and SS energy: 2.310 (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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2609.525072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.525072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.894321 (E_RNA)
where:
Base-Base interactions energy: -1853.843
where: short stacking energy: -769.963
Base-Backbone interact. energy: -3.811
local terms energy: -757.239753
where:
bonds (distance) C4'-P energy: -128.481
bonds (distance) P-C4' energy: -125.940
flat angles C4'-P-C4' energy: -158.467
flat angles P-C4'-P energy: -114.187
tors. eta vs tors. theta energy: -230.164
Dist. restrs. and SS energy: 5.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2560.705885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.705885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.645600 (E_RNA)
where:
Base-Base interactions energy: -1809.759
where: short stacking energy: -754.015
Base-Backbone interact. energy: -4.310
local terms energy: -749.576479
where:
bonds (distance) C4'-P energy: -120.080
bonds (distance) P-C4' energy: -132.699
flat angles C4'-P-C4' energy: -159.021
flat angles P-C4'-P energy: -114.650
tors. eta vs tors. theta energy: -223.127
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: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2504.680556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.680556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.186357 (E_RNA)
where:
Base-Base interactions energy: -1754.899
where: short stacking energy: -719.330
Base-Backbone interact. energy: 0.287
local terms energy: -755.573742
where:
bonds (distance) C4'-P energy: -122.937
bonds (distance) P-C4' energy: -146.013
flat angles C4'-P-C4' energy: -158.750
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -223.225
Dist. restrs. and SS energy: 5.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2368.534575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.534575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.272404 (E_RNA)
where:
Base-Base interactions energy: -1677.786
where: short stacking energy: -714.085
Base-Backbone interact. energy: -2.331
local terms energy: -701.155767
where:
bonds (distance) C4'-P energy: -116.188
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -142.521
flat angles P-C4'-P energy: -115.500
tors. eta vs tors. theta energy: -213.066
Dist. restrs. and SS energy: 12.738 (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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2263.889625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.889625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.195126 (E_RNA)
where:
Base-Base interactions energy: -1603.306
where: short stacking energy: -680.310
Base-Backbone interact. energy: 0.279
local terms energy: -668.167897
where:
bonds (distance) C4'-P energy: -134.049
bonds (distance) P-C4' energy: -110.235
flat angles C4'-P-C4' energy: -146.686
flat angles P-C4'-P energy: -84.066
tors. eta vs tors. theta energy: -193.132
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: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2244.839157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.839157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.741933 (E_RNA)
where:
Base-Base interactions energy: -1594.040
where: short stacking energy: -675.472
Base-Backbone interact. energy: -0.911
local terms energy: -656.791470
where:
bonds (distance) C4'-P energy: -133.743
bonds (distance) P-C4' energy: -113.895
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -89.472
tors. eta vs tors. theta energy: -195.713
Dist. restrs. and SS energy: 6.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -2162.098423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.098423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.142067 (E_RNA)
where:
Base-Base interactions energy: -1521.027
where: short stacking energy: -628.572
Base-Backbone interact. energy: -4.493
local terms energy: -644.622794
where:
bonds (distance) C4'-P energy: -115.750
bonds (distance) P-C4' energy: -123.313
flat angles C4'-P-C4' energy: -132.028
flat angles P-C4'-P energy: -91.325
tors. eta vs tors. theta energy: -182.207
Dist. restrs. and SS energy: 8.044 (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: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1857.836805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.836805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.458475 (E_RNA)
where:
Base-Base interactions energy: -1294.439
where: short stacking energy: -539.754
Base-Backbone interact. energy: 1.898
local terms energy: -581.917020
where:
bonds (distance) C4'-P energy: -117.262
bonds (distance) P-C4' energy: -123.710
flat angles C4'-P-C4' energy: -126.475
flat angles P-C4'-P energy: -74.568
tors. eta vs tors. theta energy: -139.902
Dist. restrs. and SS energy: 16.622 (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: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2783.396085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.396085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.352197 (E_RNA)
where:
Base-Base interactions energy: -1947.345
where: short stacking energy: -851.440
Base-Backbone interact. energy: -1.322
local terms energy: -839.684741
where:
bonds (distance) C4'-P energy: -144.790
bonds (distance) P-C4' energy: -147.671
flat angles C4'-P-C4' energy: -160.820
flat angles P-C4'-P energy: -122.455
tors. eta vs tors. theta energy: -263.948
Dist. restrs. and SS energy: 4.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2736.775224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.775224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.572797 (E_RNA)
where:
Base-Base interactions energy: -1881.444
where: short stacking energy: -813.570
Base-Backbone interact. energy: -3.490
local terms energy: -854.638668
where:
bonds (distance) C4'-P energy: -150.136
bonds (distance) P-C4' energy: -150.676
flat angles C4'-P-C4' energy: -181.107
flat angles P-C4'-P energy: -115.474
tors. eta vs tors. theta energy: -257.245
Dist. restrs. and SS energy: 2.798 (S_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: 399
Temperature: 1.000000
Total energy: -2565.110453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.110453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.416700 (E_RNA)
where:
Base-Base interactions energy: -1815.660
where: short stacking energy: -785.309
Base-Backbone interact. energy: -1.278
local terms energy: -752.478110
where:
bonds (distance) C4'-P energy: -145.922
bonds (distance) P-C4' energy: -121.491
flat angles C4'-P-C4' energy: -154.595
flat angles P-C4'-P energy: -101.613
tors. eta vs tors. theta energy: -228.858
Dist. restrs. and SS energy: 4.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2540.219543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.219543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.422848 (E_RNA)
where:
Base-Base interactions energy: -1783.643
where: short stacking energy: -766.612
Base-Backbone interact. energy: -3.809
local terms energy: -756.970942
where:
bonds (distance) C4'-P energy: -122.699
bonds (distance) P-C4' energy: -137.536
flat angles C4'-P-C4' energy: -165.808
flat angles P-C4'-P energy: -100.695
tors. eta vs tors. theta energy: -230.233
Dist. restrs. and SS energy: 4.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2510.566921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.566921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.692428 (E_RNA)
where:
Base-Base interactions energy: -1765.137
where: short stacking energy: -753.714
Base-Backbone interact. energy: 0.755
local terms energy: -751.310757
where:
bonds (distance) C4'-P energy: -117.882
bonds (distance) P-C4' energy: -153.196
flat angles C4'-P-C4' energy: -155.316
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -229.161
Dist. restrs. and SS energy: 5.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2345.571429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.571429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.567677 (E_RNA)
where:
Base-Base interactions energy: -1646.100
where: short stacking energy: -685.919
Base-Backbone interact. energy: -1.321
local terms energy: -706.146780
where:
bonds (distance) C4'-P energy: -122.507
bonds (distance) P-C4' energy: -135.967
flat angles C4'-P-C4' energy: -148.075
flat angles P-C4'-P energy: -91.705
tors. eta vs tors. theta energy: -207.893
Dist. restrs. and SS energy: 7.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2281.368976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.368976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.736040 (E_RNA)
where:
Base-Base interactions energy: -1597.089
where: short stacking energy: -665.357
Base-Backbone interact. energy: -1.861
local terms energy: -689.786029
where:
bonds (distance) C4'-P energy: -117.692
bonds (distance) P-C4' energy: -128.722
flat angles C4'-P-C4' energy: -137.113
flat angles P-C4'-P energy: -106.316
tors. eta vs tors. theta energy: -199.944
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: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2205.713833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.713833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.446985 (E_RNA)
where:
Base-Base interactions energy: -1550.237
where: short stacking energy: -630.167
Base-Backbone interact. energy: 1.041
local terms energy: -671.251022
where:
bonds (distance) C4'-P energy: -122.958
bonds (distance) P-C4' energy: -118.183
flat angles C4'-P-C4' energy: -146.614
flat angles P-C4'-P energy: -91.326
tors. eta vs tors. theta energy: -192.171
Dist. restrs. and SS energy: 14.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -2152.652891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.652891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.840389 (E_RNA)
where:
Base-Base interactions energy: -1527.139
where: short stacking energy: -649.262
Base-Backbone interact. energy: 2.697
local terms energy: -637.397851
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -124.818
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -75.097
tors. eta vs tors. theta energy: -184.759
Dist. restrs. and SS energy: 9.187 (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: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1894.514394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.514394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.540885 (E_RNA)
where:
Base-Base interactions energy: -1326.417
where: short stacking energy: -538.774
Base-Backbone interact. energy: 4.356
local terms energy: -599.479980
where:
bonds (distance) C4'-P energy: -115.451
bonds (distance) P-C4' energy: -133.387
flat angles C4'-P-C4' energy: -114.542
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -165.270
Dist. restrs. and SS energy: 27.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2793.843480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.843480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.415091 (E_RNA)
where:
Base-Base interactions energy: -1962.915
where: short stacking energy: -831.287
Base-Backbone interact. energy: -3.596
local terms energy: -831.904441
where:
bonds (distance) C4'-P energy: -141.210
bonds (distance) P-C4' energy: -138.604
flat angles C4'-P-C4' energy: -176.608
flat angles P-C4'-P energy: -114.430
tors. eta vs tors. theta energy: -261.051
Dist. restrs. and SS energy: 4.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2715.300472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.300472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.499240 (E_RNA)
where:
Base-Base interactions energy: -1916.368
where: short stacking energy: -823.247
Base-Backbone interact. energy: -1.246
local terms energy: -800.885275
where:
bonds (distance) C4'-P energy: -128.617
bonds (distance) P-C4' energy: -142.325
flat angles C4'-P-C4' energy: -172.439
flat angles P-C4'-P energy: -125.452
tors. eta vs tors. theta energy: -232.051
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2605.562061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.562061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.735250 (E_RNA)
where:
Base-Base interactions energy: -1826.366
where: short stacking energy: -779.010
Base-Backbone interact. energy: -3.333
local terms energy: -778.036342
where:
bonds (distance) C4'-P energy: -126.182
bonds (distance) P-C4' energy: -134.506
flat angles C4'-P-C4' energy: -168.971
flat angles P-C4'-P energy: -116.857
tors. eta vs tors. theta energy: -231.521
Dist. restrs. and SS energy: 2.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2521.956686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.956686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.033364 (E_RNA)
where:
Base-Base interactions energy: -1763.409
where: short stacking energy: -738.375
Base-Backbone interact. energy: -0.759
local terms energy: -761.865441
where:
bonds (distance) C4'-P energy: -147.058
bonds (distance) P-C4' energy: -132.826
flat angles C4'-P-C4' energy: -148.587
flat angles P-C4'-P energy: -109.477
tors. eta vs tors. theta energy: -223.918
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2469.614696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.614696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.205954 (E_RNA)
where:
Base-Base interactions energy: -1737.224
where: short stacking energy: -750.463
Base-Backbone interact. energy: 6.524
local terms energy: -743.505731
where:
bonds (distance) C4'-P energy: -114.346
bonds (distance) P-C4' energy: -134.133
flat angles C4'-P-C4' energy: -157.997
flat angles P-C4'-P energy: -102.744
tors. eta vs tors. theta energy: -234.285
Dist. restrs. and SS energy: 4.591 (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: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2363.341385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.341385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.439970 (E_RNA)
where:
Base-Base interactions energy: -1676.050
where: short stacking energy: -714.514
Base-Backbone interact. energy: -2.160
local terms energy: -693.230745
where:
bonds (distance) C4'-P energy: -124.183
bonds (distance) P-C4' energy: -120.639
flat angles C4'-P-C4' energy: -142.050
flat angles P-C4'-P energy: -91.965
tors. eta vs tors. theta energy: -214.395
Dist. restrs. and SS energy: 8.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2299.907947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.907947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.800447 (E_RNA)
where:
Base-Base interactions energy: -1622.542
where: short stacking energy: -675.473
Base-Backbone interact. energy: 0.853
local terms energy: -686.111052
where:
bonds (distance) C4'-P energy: -116.134
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -142.120
flat angles P-C4'-P energy: -101.334
tors. eta vs tors. theta energy: -199.200
Dist. restrs. and SS energy: 7.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2245.830008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.830008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.063674 (E_RNA)
where:
Base-Base interactions energy: -1605.152
where: short stacking energy: -649.060
Base-Backbone interact. energy: 0.787
local terms energy: -649.699211
where:
bonds (distance) C4'-P energy: -106.344
bonds (distance) P-C4' energy: -129.634
flat angles C4'-P-C4' energy: -132.282
flat angles P-C4'-P energy: -86.988
tors. eta vs tors. theta energy: -194.450
Dist. restrs. and SS energy: 8.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2146.851658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.851658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.012243 (E_RNA)
where:
Base-Base interactions energy: -1546.125
where: short stacking energy: -653.491
Base-Backbone interact. energy: 4.016
local terms energy: -618.903422
where:
bonds (distance) C4'-P energy: -103.045
bonds (distance) P-C4' energy: -109.983
flat angles C4'-P-C4' energy: -127.237
flat angles P-C4'-P energy: -79.469
tors. eta vs tors. theta energy: -199.169
Dist. restrs. and SS energy: 14.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1912.814365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.814365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.783351 (E_RNA)
where:
Base-Base interactions energy: -1326.516
where: short stacking energy: -563.977
Base-Backbone interact. energy: 0.405
local terms energy: -617.672592
where:
bonds (distance) C4'-P energy: -121.070
bonds (distance) P-C4' energy: -109.358
flat angles C4'-P-C4' energy: -147.182
flat angles P-C4'-P energy: -92.616
tors. eta vs tors. theta energy: -147.447
Dist. restrs. and SS energy: 30.969 (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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2787.133388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.133388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.494533 (E_RNA)
where:
Base-Base interactions energy: -1947.887
where: short stacking energy: -847.183
Base-Backbone interact. energy: -3.802
local terms energy: -836.805563
where:
bonds (distance) C4'-P energy: -133.758
bonds (distance) P-C4' energy: -151.863
flat angles C4'-P-C4' energy: -170.890
flat angles P-C4'-P energy: -114.805
tors. eta vs tors. theta energy: -265.489
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2724.312393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.312393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.489940 (E_RNA)
where:
Base-Base interactions energy: -1890.514
where: short stacking energy: -816.147
Base-Backbone interact. energy: -0.258
local terms energy: -836.717907
where:
bonds (distance) C4'-P energy: -135.358
bonds (distance) P-C4' energy: -149.854
flat angles C4'-P-C4' energy: -179.703
flat angles P-C4'-P energy: -129.011
tors. eta vs tors. theta energy: -242.792
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2609.504964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.504964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.872668 (E_RNA)
where:
Base-Base interactions energy: -1806.234
where: short stacking energy: -763.056
Base-Backbone interact. energy: -4.682
local terms energy: -801.956457
where:
bonds (distance) C4'-P energy: -141.417
bonds (distance) P-C4' energy: -152.529
flat angles C4'-P-C4' energy: -155.649
flat angles P-C4'-P energy: -120.543
tors. eta vs tors. theta energy: -231.819
Dist. restrs. and SS energy: 3.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2538.764144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.764144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.729032 (E_RNA)
where:
Base-Base interactions energy: -1756.845
where: short stacking energy: -745.682
Base-Backbone interact. energy: -1.566
local terms energy: -784.318277
where:
bonds (distance) C4'-P energy: -145.987
bonds (distance) P-C4' energy: -126.619
flat angles C4'-P-C4' energy: -164.004
flat angles P-C4'-P energy: -109.704
tors. eta vs tors. theta energy: -238.004
Dist. restrs. and SS energy: 3.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2494.300368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.300368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.812149 (E_RNA)
where:
Base-Base interactions energy: -1758.679
where: short stacking energy: -737.067
Base-Backbone interact. energy: -3.470
local terms energy: -736.663837
where:
bonds (distance) C4'-P energy: -129.700
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -166.002
flat angles P-C4'-P energy: -102.882
tors. eta vs tors. theta energy: -221.161
Dist. restrs. and SS energy: 4.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2385.421276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.421276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.201036 (E_RNA)
where:
Base-Base interactions energy: -1688.269
where: short stacking energy: -733.209
Base-Backbone interact. energy: 0.906
local terms energy: -709.837144
where:
bonds (distance) C4'-P energy: -122.673
bonds (distance) P-C4' energy: -109.755
flat angles C4'-P-C4' energy: -157.450
flat angles P-C4'-P energy: -108.664
tors. eta vs tors. theta energy: -211.295
Dist. restrs. and SS energy: 11.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2270.396089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.396089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.084798 (E_RNA)
where:
Base-Base interactions energy: -1614.728
where: short stacking energy: -682.857
Base-Backbone interact. energy: -2.302
local terms energy: -668.054572
where:
bonds (distance) C4'-P energy: -110.502
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -153.325
flat angles P-C4'-P energy: -102.341
tors. eta vs tors. theta energy: -189.581
Dist. restrs. and SS energy: 14.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2210.670837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.670837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.589663 (E_RNA)
where:
Base-Base interactions energy: -1560.907
where: short stacking energy: -646.381
Base-Backbone interact. energy: 0.427
local terms energy: -660.109866
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -104.298
flat angles C4'-P-C4' energy: -157.379
flat angles P-C4'-P energy: -92.726
tors. eta vs tors. theta energy: -184.141
Dist. restrs. and SS energy: 9.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -2127.553704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.553704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.081319 (E_RNA)
where:
Base-Base interactions energy: -1540.361
where: short stacking energy: -625.796
Base-Backbone interact. energy: -1.119
local terms energy: -598.600939
where:
bonds (distance) C4'-P energy: -89.024
bonds (distance) P-C4' energy: -107.567
flat angles C4'-P-C4' energy: -137.852
flat angles P-C4'-P energy: -84.657
tors. eta vs tors. theta energy: -179.500
Dist. restrs. and SS energy: 12.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1887.661713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.661713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.158492 (E_RNA)
where:
Base-Base interactions energy: -1321.637
where: short stacking energy: -570.442
Base-Backbone interact. energy: 0.085
local terms energy: -591.606517
where:
bonds (distance) C4'-P energy: -115.789
bonds (distance) P-C4' energy: -120.151
flat angles C4'-P-C4' energy: -112.551
flat angles P-C4'-P energy: -79.033
tors. eta vs tors. theta energy: -164.083
Dist. restrs. and SS energy: 25.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2785.840720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.840720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.094030 (E_RNA)
where:
Base-Base interactions energy: -1922.594
where: short stacking energy: -839.976
Base-Backbone interact. energy: -3.713
local terms energy: -863.786961
where:
bonds (distance) C4'-P energy: -141.152
bonds (distance) P-C4' energy: -153.808
flat angles C4'-P-C4' energy: -180.266
flat angles P-C4'-P energy: -128.836
tors. eta vs tors. theta energy: -259.725
Dist. restrs. and SS energy: 4.253 (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: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2739.719730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.719730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.748663 (E_RNA)
where:
Base-Base interactions energy: -1920.010
where: short stacking energy: -816.880
Base-Backbone interact. energy: -2.381
local terms energy: -820.358072
where:
bonds (distance) C4'-P energy: -134.574
bonds (distance) P-C4' energy: -152.769
flat angles C4'-P-C4' energy: -162.297
flat angles P-C4'-P energy: -115.349
tors. eta vs tors. theta energy: -255.369
Dist. restrs. and SS energy: 3.029 (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: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2572.924840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.924840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.258858 (E_RNA)
where:
Base-Base interactions energy: -1802.820
where: short stacking energy: -764.476
Base-Backbone interact. energy: -4.878
local terms energy: -770.560643
where:
bonds (distance) C4'-P energy: -122.481
bonds (distance) P-C4' energy: -140.466
flat angles C4'-P-C4' energy: -166.507
flat angles P-C4'-P energy: -116.464
tors. eta vs tors. theta energy: -224.643
Dist. restrs. and SS energy: 5.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2558.111461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.111461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.154173 (E_RNA)
where:
Base-Base interactions energy: -1785.795
where: short stacking energy: -754.198
Base-Backbone interact. energy: -4.206
local terms energy: -772.153446
where:
bonds (distance) C4'-P energy: -133.298
bonds (distance) P-C4' energy: -144.185
flat angles C4'-P-C4' energy: -154.693
flat angles P-C4'-P energy: -109.614
tors. eta vs tors. theta energy: -230.364
Dist. restrs. and SS energy: 4.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2451.067820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.067820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.536601 (E_RNA)
where:
Base-Base interactions energy: -1716.820
where: short stacking energy: -721.149
Base-Backbone interact. energy: -4.629
local terms energy: -732.087328
where:
bonds (distance) C4'-P energy: -118.030
bonds (distance) P-C4' energy: -130.124
flat angles C4'-P-C4' energy: -166.732
flat angles P-C4'-P energy: -103.921
tors. eta vs tors. theta energy: -213.281
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2372.195106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.195106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.715342 (E_RNA)
where:
Base-Base interactions energy: -1667.401
where: short stacking energy: -708.784
Base-Backbone interact. energy: -0.263
local terms energy: -712.051060
where:
bonds (distance) C4'-P energy: -124.760
bonds (distance) P-C4' energy: -134.294
flat angles C4'-P-C4' energy: -145.562
flat angles P-C4'-P energy: -104.118
tors. eta vs tors. theta energy: -203.316
Dist. restrs. and SS energy: 7.520 (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: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2261.993099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.993099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.312790 (E_RNA)
where:
Base-Base interactions energy: -1603.905
where: short stacking energy: -657.794
Base-Backbone interact. energy: 4.357
local terms energy: -682.764755
where:
bonds (distance) C4'-P energy: -109.549
bonds (distance) P-C4' energy: -125.199
flat angles C4'-P-C4' energy: -162.939
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -200.652
Dist. restrs. and SS energy: 20.320 (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: 402
Temperature: 1.250000
Total energy: -2231.625308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.625308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.965367 (E_RNA)
where:
Base-Base interactions energy: -1558.642
where: short stacking energy: -641.459
Base-Backbone interact. energy: -1.640
local terms energy: -678.684064
where:
bonds (distance) C4'-P energy: -96.209
bonds (distance) P-C4' energy: -124.326
flat angles C4'-P-C4' energy: -157.790
flat angles P-C4'-P energy: -95.950
tors. eta vs tors. theta energy: -204.410
Dist. restrs. and SS energy: 7.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -2063.381158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.381158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.879974 (E_RNA)
where:
Base-Base interactions energy: -1444.924
where: short stacking energy: -622.589
Base-Backbone interact. energy: -2.373
local terms energy: -627.583207
where:
bonds (distance) C4'-P energy: -113.317
bonds (distance) P-C4' energy: -123.112
flat angles C4'-P-C4' energy: -129.049
flat angles P-C4'-P energy: -89.260
tors. eta vs tors. theta energy: -172.846
Dist. restrs. and SS energy: 11.499 (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: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1944.847759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.847759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.180091 (E_RNA)
where:
Base-Base interactions energy: -1382.931
where: short stacking energy: -559.908
Base-Backbone interact. energy: 0.947
local terms energy: -585.196701
where:
bonds (distance) C4'-P energy: -104.138
bonds (distance) P-C4' energy: -114.172
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -166.104
Dist. restrs. and SS energy: 22.332 (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: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2783.749660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.749660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.621646 (E_RNA)
where:
Base-Base interactions energy: -1951.874
where: short stacking energy: -844.247
Base-Backbone interact. energy: -1.620
local terms energy: -833.126856
where:
bonds (distance) C4'-P energy: -135.863
bonds (distance) P-C4' energy: -154.705
flat angles C4'-P-C4' energy: -164.931
flat angles P-C4'-P energy: -116.144
tors. eta vs tors. theta energy: -261.484
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2716.169500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.169500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.703498 (E_RNA)
where:
Base-Base interactions energy: -1917.686
where: short stacking energy: -806.792
Base-Backbone interact. energy: -5.431
local terms energy: -798.586787
where:
bonds (distance) C4'-P energy: -143.095
bonds (distance) P-C4' energy: -123.977
flat angles C4'-P-C4' energy: -172.278
flat angles P-C4'-P energy: -113.663
tors. eta vs tors. theta energy: -245.574
Dist. restrs. and SS energy: 5.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2619.879732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.879732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.163490 (E_RNA)
where:
Base-Base interactions energy: -1827.302
where: short stacking energy: -788.778
Base-Backbone interact. energy: 0.164
local terms energy: -796.025409
where:
bonds (distance) C4'-P energy: -133.524
bonds (distance) P-C4' energy: -131.649
flat angles C4'-P-C4' energy: -162.554
flat angles P-C4'-P energy: -120.903
tors. eta vs tors. theta energy: -247.397
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: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2568.071957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.071957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.794543 (E_RNA)
where:
Base-Base interactions energy: -1792.588
where: short stacking energy: -751.186
Base-Backbone interact. energy: -0.327
local terms energy: -779.879157
where:
bonds (distance) C4'-P energy: -141.664
bonds (distance) P-C4' energy: -142.312
flat angles C4'-P-C4' energy: -161.305
flat angles P-C4'-P energy: -108.485
tors. eta vs tors. theta energy: -226.113
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: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2457.949752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.949752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.422533 (E_RNA)
where:
Base-Base interactions energy: -1701.349
where: short stacking energy: -708.170
Base-Backbone interact. energy: -0.913
local terms energy: -758.160936
where:
bonds (distance) C4'-P energy: -135.900
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -154.809
flat angles P-C4'-P energy: -118.343
tors. eta vs tors. theta energy: -220.126
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: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2375.122281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.122281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.024088 (E_RNA)
where:
Base-Base interactions energy: -1654.173
where: short stacking energy: -688.746
Base-Backbone interact. energy: -1.251
local terms energy: -727.599891
where:
bonds (distance) C4'-P energy: -143.800
bonds (distance) P-C4' energy: -138.321
flat angles C4'-P-C4' energy: -150.782
flat angles P-C4'-P energy: -91.402
tors. eta vs tors. theta energy: -203.295
Dist. restrs. and SS energy: 7.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2261.046333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.046333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.720421 (E_RNA)
where:
Base-Base interactions energy: -1594.521
where: short stacking energy: -664.700
Base-Backbone interact. energy: -4.887
local terms energy: -670.312243
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -111.371
flat angles C4'-P-C4' energy: -131.307
flat angles P-C4'-P energy: -105.569
tors. eta vs tors. theta energy: -205.044
Dist. restrs. and SS energy: 8.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2244.188379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.188379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.222745 (E_RNA)
where:
Base-Base interactions energy: -1552.131
where: short stacking energy: -677.733
Base-Backbone interact. energy: -2.514
local terms energy: -696.578264
where:
bonds (distance) C4'-P energy: -100.629
bonds (distance) P-C4' energy: -135.656
flat angles C4'-P-C4' energy: -149.966
flat angles P-C4'-P energy: -102.444
tors. eta vs tors. theta energy: -207.883
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -2086.122060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.122060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.804483 (E_RNA)
where:
Base-Base interactions energy: -1467.105
where: short stacking energy: -596.313
Base-Backbone interact. energy: -1.362
local terms energy: -631.337670
where:
bonds (distance) C4'-P energy: -123.089
bonds (distance) P-C4' energy: -96.205
flat angles C4'-P-C4' energy: -142.443
flat angles P-C4'-P energy: -83.167
tors. eta vs tors. theta energy: -186.435
Dist. restrs. and SS energy: 13.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1964.857532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.857532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.302297 (E_RNA)
where:
Base-Base interactions energy: -1375.817
where: short stacking energy: -578.166
Base-Backbone interact. energy: 3.122
local terms energy: -624.607422
where:
bonds (distance) C4'-P energy: -120.601
bonds (distance) P-C4' energy: -122.667
flat angles C4'-P-C4' energy: -144.587
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -156.170
Dist. restrs. and SS energy: 32.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2784.885999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.309223 (E_RNA)
where:
Base-Base interactions energy: -1950.885
where: short stacking energy: -838.135
Base-Backbone interact. energy: -1.739
local terms energy: -836.685455
where:
bonds (distance) C4'-P energy: -141.041
bonds (distance) P-C4' energy: -145.869
flat angles C4'-P-C4' energy: -168.118
flat angles P-C4'-P energy: -123.366
tors. eta vs tors. theta energy: -258.291
Dist. restrs. and SS energy: 4.423 (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: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2700.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.456218 (E_RNA)
where:
Base-Base interactions energy: -1907.308
where: short stacking energy: -788.853
Base-Backbone interact. energy: -0.736
local terms energy: -800.413023
where:
bonds (distance) C4'-P energy: -133.725
bonds (distance) P-C4' energy: -147.463
flat angles C4'-P-C4' energy: -164.309
flat angles P-C4'-P energy: -120.238
tors. eta vs tors. theta energy: -234.677
Dist. restrs. and SS energy: 8.335 (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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2607.959548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.959548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.783654 (E_RNA)
where:
Base-Base interactions energy: -1823.389
where: short stacking energy: -759.002
Base-Backbone interact. energy: -1.223
local terms energy: -787.171708
where:
bonds (distance) C4'-P energy: -138.827
bonds (distance) P-C4' energy: -138.594
flat angles C4'-P-C4' energy: -172.437
flat angles P-C4'-P energy: -110.168
tors. eta vs tors. theta energy: -227.146
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2534.136015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.136015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.122179 (E_RNA)
where:
Base-Base interactions energy: -1782.911
where: short stacking energy: -760.719
Base-Backbone interact. energy: -2.432
local terms energy: -752.778726
where:
bonds (distance) C4'-P energy: -118.451
bonds (distance) P-C4' energy: -139.154
flat angles C4'-P-C4' energy: -158.969
flat angles P-C4'-P energy: -104.829
tors. eta vs tors. theta energy: -231.375
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: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2403.016660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.016660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.427705 (E_RNA)
where:
Base-Base interactions energy: -1679.584
where: short stacking energy: -708.618
Base-Backbone interact. energy: -1.637
local terms energy: -726.206586
where:
bonds (distance) C4'-P energy: -120.582
bonds (distance) P-C4' energy: -131.030
flat angles C4'-P-C4' energy: -155.882
flat angles P-C4'-P energy: -115.037
tors. eta vs tors. theta energy: -203.675
Dist. restrs. and SS energy: 4.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2392.449432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.449432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.661422 (E_RNA)
where:
Base-Base interactions energy: -1713.224
where: short stacking energy: -710.877
Base-Backbone interact. energy: -1.819
local terms energy: -685.618642
where:
bonds (distance) C4'-P energy: -112.795
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -145.594
flat angles P-C4'-P energy: -96.674
tors. eta vs tors. theta energy: -204.256
Dist. restrs. and SS energy: 8.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2296.697115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.697115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.481359 (E_RNA)
where:
Base-Base interactions energy: -1616.262
where: short stacking energy: -679.482
Base-Backbone interact. energy: 1.838
local terms energy: -688.057592
where:
bonds (distance) C4'-P energy: -122.272
bonds (distance) P-C4' energy: -131.058
flat angles C4'-P-C4' energy: -137.222
flat angles P-C4'-P energy: -88.017
tors. eta vs tors. theta energy: -209.489
Dist. restrs. and SS energy: 5.784 (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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2271.831234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.513814 (E_RNA)
where:
Base-Base interactions energy: -1594.201
where: short stacking energy: -689.492
Base-Backbone interact. energy: -1.106
local terms energy: -682.206995
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -114.978
flat angles C4'-P-C4' energy: -157.574
flat angles P-C4'-P energy: -91.181
tors. eta vs tors. theta energy: -207.158
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: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2150.990399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.990399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.351519 (E_RNA)
where:
Base-Base interactions energy: -1543.809
where: short stacking energy: -633.755
Base-Backbone interact. energy: 1.185
local terms energy: -615.727250
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -81.743
flat angles C4'-P-C4' energy: -141.400
flat angles P-C4'-P energy: -85.940
tors. eta vs tors. theta energy: -184.222
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: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1978.171544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.171544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.880686 (E_RNA)
where:
Base-Base interactions energy: -1372.410
where: short stacking energy: -567.954
Base-Backbone interact. energy: -3.333
local terms energy: -622.137570
where:
bonds (distance) C4'-P energy: -111.049
bonds (distance) P-C4' energy: -123.036
flat angles C4'-P-C4' energy: -117.898
flat angles P-C4'-P energy: -101.134
tors. eta vs tors. theta energy: -169.020
Dist. restrs. and SS energy: 19.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2783.994863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.994863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.040670 (E_RNA)
where:
Base-Base interactions energy: -1963.513
where: short stacking energy: -856.346
Base-Backbone interact. energy: 3.715
local terms energy: -829.241967
where:
bonds (distance) C4'-P energy: -138.944
bonds (distance) P-C4' energy: -148.147
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -121.318
tors. eta vs tors. theta energy: -262.509
Dist. restrs. and SS energy: 5.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2722.605119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.605119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.699227 (E_RNA)
where:
Base-Base interactions energy: -1901.711
where: short stacking energy: -798.809
Base-Backbone interact. energy: -3.796
local terms energy: -821.192253
where:
bonds (distance) C4'-P energy: -142.612
bonds (distance) P-C4' energy: -149.633
flat angles C4'-P-C4' energy: -169.423
flat angles P-C4'-P energy: -116.414
tors. eta vs tors. theta energy: -243.110
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2580.466779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.466779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.373386 (E_RNA)
where:
Base-Base interactions energy: -1784.767
where: short stacking energy: -773.902
Base-Backbone interact. energy: -2.286
local terms energy: -798.320653
where:
bonds (distance) C4'-P energy: -129.191
bonds (distance) P-C4' energy: -151.361
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -118.513
tors. eta vs tors. theta energy: -234.978
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2557.674780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.674780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.415326 (E_RNA)
where:
Base-Base interactions energy: -1807.481
where: short stacking energy: -762.503
Base-Backbone interact. energy: 0.204
local terms energy: -757.138717
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -137.404
flat angles C4'-P-C4' energy: -153.796
flat angles P-C4'-P energy: -105.728
tors. eta vs tors. theta energy: -224.763
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: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2423.272003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.272003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.356746 (E_RNA)
where:
Base-Base interactions energy: -1688.786
where: short stacking energy: -716.190
Base-Backbone interact. energy: -2.212
local terms energy: -738.359272
where:
bonds (distance) C4'-P energy: -125.397
bonds (distance) P-C4' energy: -132.519
flat angles C4'-P-C4' energy: -151.980
flat angles P-C4'-P energy: -109.367
tors. eta vs tors. theta energy: -219.097
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: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2347.665636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.665636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.303170 (E_RNA)
where:
Base-Base interactions energy: -1660.387
where: short stacking energy: -692.776
Base-Backbone interact. energy: -0.758
local terms energy: -696.157925
where:
bonds (distance) C4'-P energy: -111.545
bonds (distance) P-C4' energy: -125.108
flat angles C4'-P-C4' energy: -144.690
flat angles P-C4'-P energy: -111.682
tors. eta vs tors. theta energy: -203.132
Dist. restrs. and SS energy: 9.638 (S_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: 405
Temperature: 1.200000
Total energy: -2344.040676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.040676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.606118 (E_RNA)
where:
Base-Base interactions energy: -1683.416
where: short stacking energy: -694.745
Base-Backbone interact. energy: -3.099
local terms energy: -662.091192
where:
bonds (distance) C4'-P energy: -129.215
bonds (distance) P-C4' energy: -102.552
flat angles C4'-P-C4' energy: -131.840
flat angles P-C4'-P energy: -94.020
tors. eta vs tors. theta energy: -204.465
Dist. restrs. and SS energy: 4.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2214.249969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.249969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.321065 (E_RNA)
where:
Base-Base interactions energy: -1559.425
where: short stacking energy: -638.680
Base-Backbone interact. energy: 5.387
local terms energy: -671.282431
where:
bonds (distance) C4'-P energy: -128.081
bonds (distance) P-C4' energy: -116.908
flat angles C4'-P-C4' energy: -148.495
flat angles P-C4'-P energy: -94.459
tors. eta vs tors. theta energy: -183.339
Dist. restrs. and SS energy: 11.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -2205.864300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.864300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.200776 (E_RNA)
where:
Base-Base interactions energy: -1563.278
where: short stacking energy: -652.142
Base-Backbone interact. energy: -0.984
local terms energy: -649.939151
where:
bonds (distance) C4'-P energy: -101.091
bonds (distance) P-C4' energy: -113.708
flat angles C4'-P-C4' energy: -152.494
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -194.132
Dist. restrs. and SS energy: 8.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1926.475585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.475585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.132948 (E_RNA)
where:
Base-Base interactions energy: -1363.671
where: short stacking energy: -545.942
Base-Backbone interact. energy: -2.550
local terms energy: -582.911553
where:
bonds (distance) C4'-P energy: -120.376
bonds (distance) P-C4' energy: -118.675
flat angles C4'-P-C4' energy: -130.307
flat angles P-C4'-P energy: -61.683
tors. eta vs tors. theta energy: -151.871
Dist. restrs. and SS energy: 22.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2778.968805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.968805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.378759 (E_RNA)
where:
Base-Base interactions energy: -1952.275
where: short stacking energy: -830.581
Base-Backbone interact. energy: -2.946
local terms energy: -827.157861
where:
bonds (distance) C4'-P energy: -131.614
bonds (distance) P-C4' energy: -154.251
flat angles C4'-P-C4' energy: -165.878
flat angles P-C4'-P energy: -119.787
tors. eta vs tors. theta energy: -255.628
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2690.091046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.091046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.914120 (E_RNA)
where:
Base-Base interactions energy: -1909.052
where: short stacking energy: -796.316
Base-Backbone interact. energy: -1.655
local terms energy: -782.206446
where:
bonds (distance) C4'-P energy: -140.066
bonds (distance) P-C4' energy: -129.450
flat angles C4'-P-C4' energy: -169.748
flat angles P-C4'-P energy: -106.858
tors. eta vs tors. theta energy: -236.085
Dist. restrs. and SS energy: 2.823 (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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2625.789334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.789334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.651987 (E_RNA)
where:
Base-Base interactions energy: -1831.282
where: short stacking energy: -790.604
Base-Backbone interact. energy: -0.481
local terms energy: -796.888663
where:
bonds (distance) C4'-P energy: -124.976
bonds (distance) P-C4' energy: -136.499
flat angles C4'-P-C4' energy: -169.383
flat angles P-C4'-P energy: -123.015
tors. eta vs tors. theta energy: -243.016
Dist. restrs. and SS energy: 2.863 (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: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2520.305421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.305421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.339979 (E_RNA)
where:
Base-Base interactions energy: -1756.859
where: short stacking energy: -729.557
Base-Backbone interact. energy: -4.090
local terms energy: -764.390689
where:
bonds (distance) C4'-P energy: -134.318
bonds (distance) P-C4' energy: -144.549
flat angles C4'-P-C4' energy: -144.871
flat angles P-C4'-P energy: -116.066
tors. eta vs tors. theta energy: -224.587
Dist. restrs. and SS energy: 5.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2418.419461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.419461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.184393 (E_RNA)
where:
Base-Base interactions energy: -1696.360
where: short stacking energy: -704.943
Base-Backbone interact. energy: -0.906
local terms energy: -727.918345
where:
bonds (distance) C4'-P energy: -131.885
bonds (distance) P-C4' energy: -125.470
flat angles C4'-P-C4' energy: -159.830
flat angles P-C4'-P energy: -89.362
tors. eta vs tors. theta energy: -221.371
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: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2374.902149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.902149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.005304 (E_RNA)
where:
Base-Base interactions energy: -1687.572
where: short stacking energy: -721.203
Base-Backbone interact. energy: -1.812
local terms energy: -694.621788
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -149.144
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -218.895
Dist. restrs. and SS energy: 9.103 (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: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2356.993193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.993193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.057916 (E_RNA)
where:
Base-Base interactions energy: -1670.273
where: short stacking energy: -694.530
Base-Backbone interact. energy: -1.213
local terms energy: -690.572367
where:
bonds (distance) C4'-P energy: -116.604
bonds (distance) P-C4' energy: -112.144
flat angles C4'-P-C4' energy: -152.487
flat angles P-C4'-P energy: -99.268
tors. eta vs tors. theta energy: -210.069
Dist. restrs. and SS energy: 5.065 (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: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2205.171361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.171361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.337906 (E_RNA)
where:
Base-Base interactions energy: -1533.818
where: short stacking energy: -644.457
Base-Backbone interact. energy: 0.852
local terms energy: -682.371689
where:
bonds (distance) C4'-P energy: -122.704
bonds (distance) P-C4' energy: -126.155
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -91.464
tors. eta vs tors. theta energy: -191.469
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: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -2153.002738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.002738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.611874 (E_RNA)
where:
Base-Base interactions energy: -1529.188
where: short stacking energy: -650.485
Base-Backbone interact. energy: -5.622
local terms energy: -629.802295
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -117.253
flat angles C4'-P-C4' energy: -138.654
flat angles P-C4'-P energy: -73.828
tors. eta vs tors. theta energy: -181.133
Dist. restrs. and SS energy: 11.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1873.895001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.895001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.094275 (E_RNA)
where:
Base-Base interactions energy: -1311.815
where: short stacking energy: -528.414
Base-Backbone interact. energy: 2.857
local terms energy: -590.136446
where:
bonds (distance) C4'-P energy: -104.044
bonds (distance) P-C4' energy: -123.219
flat angles C4'-P-C4' energy: -129.940
flat angles P-C4'-P energy: -76.172
tors. eta vs tors. theta energy: -156.761
Dist. restrs. and SS energy: 25.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2784.772771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.772771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.014292 (E_RNA)
where:
Base-Base interactions energy: -1947.041
where: short stacking energy: -844.812
Base-Backbone interact. energy: -0.935
local terms energy: -841.038345
where:
bonds (distance) C4'-P energy: -145.212
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -174.743
flat angles P-C4'-P energy: -118.347
tors. eta vs tors. theta energy: -262.331
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: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2686.603629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.603629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.379006 (E_RNA)
where:
Base-Base interactions energy: -1878.414
where: short stacking energy: -810.412
Base-Backbone interact. energy: -0.009
local terms energy: -814.955931
where:
bonds (distance) C4'-P energy: -146.190
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -163.249
flat angles P-C4'-P energy: -124.236
tors. eta vs tors. theta energy: -242.519
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: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2661.383001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.383001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.294359 (E_RNA)
where:
Base-Base interactions energy: -1914.782
where: short stacking energy: -793.042
Base-Backbone interact. energy: 2.913
local terms energy: -752.424882
where:
bonds (distance) C4'-P energy: -112.150
bonds (distance) P-C4' energy: -146.235
flat angles C4'-P-C4' energy: -160.106
flat angles P-C4'-P energy: -97.119
tors. eta vs tors. theta energy: -236.815
Dist. restrs. and SS energy: 2.911 (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: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2561.148945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.148945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.242502 (E_RNA)
where:
Base-Base interactions energy: -1799.659
where: short stacking energy: -742.339
Base-Backbone interact. energy: -5.184
local terms energy: -759.399122
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -149.643
flat angles C4'-P-C4' energy: -157.809
flat angles P-C4'-P energy: -100.980
tors. eta vs tors. theta energy: -229.816
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. 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: -2410.042687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.042687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.429210 (E_RNA)
where:
Base-Base interactions energy: -1678.570
where: short stacking energy: -740.275
Base-Backbone interact. energy: -0.712
local terms energy: -738.147194
where:
bonds (distance) C4'-P energy: -110.988
bonds (distance) P-C4' energy: -134.154
flat angles C4'-P-C4' energy: -158.213
flat angles P-C4'-P energy: -113.730
tors. eta vs tors. theta energy: -221.061
Dist. restrs. and SS energy: 7.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2376.495130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.495130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.187563 (E_RNA)
where:
Base-Base interactions energy: -1672.155
where: short stacking energy: -712.717
Base-Backbone interact. energy: -4.474
local terms energy: -706.559098
where:
bonds (distance) C4'-P energy: -123.715
bonds (distance) P-C4' energy: -145.397
flat angles C4'-P-C4' energy: -137.119
flat angles P-C4'-P energy: -75.727
tors. eta vs tors. theta energy: -224.602
Dist. restrs. and SS energy: 6.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2303.933901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.933901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.660308 (E_RNA)
where:
Base-Base interactions energy: -1602.868
where: short stacking energy: -647.774
Base-Backbone interact. energy: -4.226
local terms energy: -701.566481
where:
bonds (distance) C4'-P energy: -131.055
bonds (distance) P-C4' energy: -106.430
flat angles C4'-P-C4' energy: -145.954
flat angles P-C4'-P energy: -111.940
tors. eta vs tors. theta energy: -206.187
Dist. restrs. and SS energy: 4.726 (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: 407
Temperature: 1.250000
Total energy: -2189.574475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.826243 (E_RNA)
where:
Base-Base interactions energy: -1543.117
where: short stacking energy: -634.614
Base-Backbone interact. energy: 0.338
local terms energy: -655.048004
where:
bonds (distance) C4'-P energy: -109.374
bonds (distance) P-C4' energy: -126.342
flat angles C4'-P-C4' energy: -139.982
flat angles P-C4'-P energy: -92.566
tors. eta vs tors. theta energy: -186.783
Dist. restrs. and SS energy: 8.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -2109.840142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.840142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.989007 (E_RNA)
where:
Base-Base interactions energy: -1506.257
where: short stacking energy: -616.159
Base-Backbone interact. energy: -0.464
local terms energy: -616.267860
where:
bonds (distance) C4'-P energy: -114.873
bonds (distance) P-C4' energy: -105.215
flat angles C4'-P-C4' energy: -149.595
flat angles P-C4'-P energy: -84.110
tors. eta vs tors. theta energy: -162.475
Dist. restrs. and SS energy: 13.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1980.570055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.570055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.277004 (E_RNA)
where:
Base-Base interactions energy: -1394.045
where: short stacking energy: -587.867
Base-Backbone interact. energy: -1.812
local terms energy: -615.420600
where:
bonds (distance) C4'-P energy: -105.938
bonds (distance) P-C4' energy: -129.720
flat angles C4'-P-C4' energy: -139.152
flat angles P-C4'-P energy: -59.732
tors. eta vs tors. theta energy: -180.879
Dist. restrs. and SS energy: 30.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2783.247478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.247478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.672789 (E_RNA)
where:
Base-Base interactions energy: -1940.682
where: short stacking energy: -847.323
Base-Backbone interact. energy: -4.560
local terms energy: -843.430544
where:
bonds (distance) C4'-P energy: -143.168
bonds (distance) P-C4' energy: -156.419
flat angles C4'-P-C4' energy: -167.345
flat angles P-C4'-P energy: -118.212
tors. eta vs tors. theta energy: -258.287
Dist. restrs. and SS energy: 5.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2678.743819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.743819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.216385 (E_RNA)
where:
Base-Base interactions energy: -1884.808
where: short stacking energy: -791.415
Base-Backbone interact. energy: 0.605
local terms energy: -798.013753
where:
bonds (distance) C4'-P energy: -143.306
bonds (distance) P-C4' energy: -146.597
flat angles C4'-P-C4' energy: -161.546
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -243.320
Dist. restrs. and SS energy: 3.473 (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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2645.962030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.962030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.306583 (E_RNA)
where:
Base-Base interactions energy: -1841.392
where: short stacking energy: -777.092
Base-Backbone interact. energy: -3.836
local terms energy: -805.079221
where:
bonds (distance) C4'-P energy: -149.723
bonds (distance) P-C4' energy: -133.716
flat angles C4'-P-C4' energy: -162.279
flat angles P-C4'-P energy: -118.311
tors. eta vs tors. theta energy: -241.051
Dist. restrs. and SS energy: 4.345 (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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2557.088660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.088660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.808410 (E_RNA)
where:
Base-Base interactions energy: -1794.698
where: short stacking energy: -772.934
Base-Backbone interact. energy: -0.551
local terms energy: -765.559743
where:
bonds (distance) C4'-P energy: -129.770
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -159.918
flat angles P-C4'-P energy: -106.834
tors. eta vs tors. theta energy: -230.491
Dist. restrs. and SS energy: 3.720 (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: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2371.578000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.578000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.256052 (E_RNA)
where:
Base-Base interactions energy: -1656.101
where: short stacking energy: -697.037
Base-Backbone interact. energy: 1.865
local terms energy: -724.019711
where:
bonds (distance) C4'-P energy: -122.305
bonds (distance) P-C4' energy: -130.058
flat angles C4'-P-C4' energy: -152.141
flat angles P-C4'-P energy: -112.876
tors. eta vs tors. theta energy: -206.639
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: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2351.639520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.639520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.181451 (E_RNA)
where:
Base-Base interactions energy: -1654.112
where: short stacking energy: -687.459
Base-Backbone interact. energy: -5.077
local terms energy: -696.992190
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -125.024
flat angles C4'-P-C4' energy: -147.538
flat angles P-C4'-P energy: -105.370
tors. eta vs tors. theta energy: -198.834
Dist. restrs. and SS energy: 4.542 (S_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: 408
Temperature: 1.200000
Total energy: -2281.363065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.363065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.609179 (E_RNA)
where:
Base-Base interactions energy: -1632.200
where: short stacking energy: -667.245
Base-Backbone interact. energy: -1.783
local terms energy: -650.626567
where:
bonds (distance) C4'-P energy: -124.656
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -135.354
flat angles P-C4'-P energy: -80.925
tors. eta vs tors. theta energy: -191.533
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2264.736440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.736440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.254318 (E_RNA)
where:
Base-Base interactions energy: -1609.809
where: short stacking energy: -655.569
Base-Backbone interact. energy: 0.216
local terms energy: -662.660548
where:
bonds (distance) C4'-P energy: -106.092
bonds (distance) P-C4' energy: -123.289
flat angles C4'-P-C4' energy: -137.239
flat angles P-C4'-P energy: -97.944
tors. eta vs tors. theta energy: -198.096
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: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -2164.729555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.729555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.217202 (E_RNA)
where:
Base-Base interactions energy: -1519.595
where: short stacking energy: -651.501
Base-Backbone interact. energy: 5.410
local terms energy: -672.032376
where:
bonds (distance) C4'-P energy: -124.682
bonds (distance) P-C4' energy: -125.842
flat angles C4'-P-C4' energy: -145.547
flat angles P-C4'-P energy: -86.169
tors. eta vs tors. theta energy: -189.793
Dist. restrs. and SS energy: 21.488 (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: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1939.687282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.687282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.376218 (E_RNA)
where:
Base-Base interactions energy: -1392.307
where: short stacking energy: -581.858
Base-Backbone interact. energy: -0.904
local terms energy: -569.165075
where:
bonds (distance) C4'-P energy: -85.139
bonds (distance) P-C4' energy: -114.209
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -66.217
tors. eta vs tors. theta energy: -174.063
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: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2773.207447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.207447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.913815 (E_RNA)
where:
Base-Base interactions energy: -1927.654
where: short stacking energy: -835.111
Base-Backbone interact. energy: -0.631
local terms energy: -848.629156
where:
bonds (distance) C4'-P energy: -155.760
bonds (distance) P-C4' energy: -150.690
flat angles C4'-P-C4' energy: -173.920
flat angles P-C4'-P energy: -100.034
tors. eta vs tors. theta energy: -268.225
Dist. restrs. and SS energy: 3.706 (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: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2661.614672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.614672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.236940 (E_RNA)
where:
Base-Base interactions energy: -1870.831
where: short stacking energy: -792.612
Base-Backbone interact. energy: 1.481
local terms energy: -795.886891
where:
bonds (distance) C4'-P energy: -125.781
bonds (distance) P-C4' energy: -148.327
flat angles C4'-P-C4' energy: -162.046
flat angles P-C4'-P energy: -119.960
tors. eta vs tors. theta energy: -239.773
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2654.968233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.968233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.894504 (E_RNA)
where:
Base-Base interactions energy: -1854.086
where: short stacking energy: -759.796
Base-Backbone interact. energy: -0.424
local terms energy: -808.384240
where:
bonds (distance) C4'-P energy: -145.399
bonds (distance) P-C4' energy: -136.901
flat angles C4'-P-C4' energy: -174.205
flat angles P-C4'-P energy: -119.190
tors. eta vs tors. theta energy: -232.689
Dist. restrs. and SS energy: 7.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2533.270486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.270486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.685695 (E_RNA)
where:
Base-Base interactions energy: -1773.395
where: short stacking energy: -747.666
Base-Backbone interact. energy: -4.628
local terms energy: -759.662553
where:
bonds (distance) C4'-P energy: -120.261
bonds (distance) P-C4' energy: -142.745
flat angles C4'-P-C4' energy: -152.941
flat angles P-C4'-P energy: -118.552
tors. eta vs tors. theta energy: -225.164
Dist. restrs. and SS energy: 4.415 (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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2379.414327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.414327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.292251 (E_RNA)
where:
Base-Base interactions energy: -1680.064
where: short stacking energy: -705.879
Base-Backbone interact. energy: 0.473
local terms energy: -706.700780
where:
bonds (distance) C4'-P energy: -116.824
bonds (distance) P-C4' energy: -126.866
flat angles C4'-P-C4' energy: -152.605
flat angles P-C4'-P energy: -100.775
tors. eta vs tors. theta energy: -209.630
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: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2354.229847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.229847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.335235 (E_RNA)
where:
Base-Base interactions energy: -1650.457
where: short stacking energy: -698.730
Base-Backbone interact. energy: -3.168
local terms energy: -707.710240
where:
bonds (distance) C4'-P energy: -143.093
bonds (distance) P-C4' energy: -118.008
flat angles C4'-P-C4' energy: -157.711
flat angles P-C4'-P energy: -90.033
tors. eta vs tors. theta energy: -198.865
Dist. restrs. and SS energy: 7.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2331.115482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.115482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.179142 (E_RNA)
where:
Base-Base interactions energy: -1651.058
where: short stacking energy: -688.532
Base-Backbone interact. energy: -2.439
local terms energy: -682.681911
where:
bonds (distance) C4'-P energy: -112.361
bonds (distance) P-C4' energy: -121.130
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -96.995
tors. eta vs tors. theta energy: -202.089
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: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2235.318587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.318587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.380454 (E_RNA)
where:
Base-Base interactions energy: -1602.169
where: short stacking energy: -658.376
Base-Backbone interact. energy: 0.015
local terms energy: -640.225791
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -117.583
flat angles C4'-P-C4' energy: -148.099
flat angles P-C4'-P energy: -81.036
tors. eta vs tors. theta energy: -181.204
Dist. restrs. and SS energy: 7.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -2136.887910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.887910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.223276 (E_RNA)
where:
Base-Base interactions energy: -1536.357
where: short stacking energy: -628.845
Base-Backbone interact. energy: 3.292
local terms energy: -615.158116
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -116.029
flat angles C4'-P-C4' energy: -129.383
flat angles P-C4'-P energy: -69.986
tors. eta vs tors. theta energy: -188.260
Dist. restrs. and SS energy: 11.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1929.570089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.570089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.005157 (E_RNA)
where:
Base-Base interactions energy: -1367.056
where: short stacking energy: -557.672
Base-Backbone interact. energy: -2.487
local terms energy: -593.462139
where:
bonds (distance) C4'-P energy: -104.521
bonds (distance) P-C4' energy: -120.971
flat angles C4'-P-C4' energy: -140.030
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -158.535
Dist. restrs. and SS energy: 33.435 (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: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2802.335599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.335599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.699297 (E_RNA)
where:
Base-Base interactions energy: -1965.426
where: short stacking energy: -818.936
Base-Backbone interact. energy: -2.772
local terms energy: -836.501679
where:
bonds (distance) C4'-P energy: -152.354
bonds (distance) P-C4' energy: -152.046
flat angles C4'-P-C4' energy: -169.447
flat angles P-C4'-P energy: -113.034
tors. eta vs tors. theta energy: -249.620
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2662.569929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.569929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.896700 (E_RNA)
where:
Base-Base interactions energy: -1866.817
where: short stacking energy: -793.763
Base-Backbone interact. energy: -2.251
local terms energy: -797.828948
where:
bonds (distance) C4'-P energy: -147.392
bonds (distance) P-C4' energy: -134.094
flat angles C4'-P-C4' energy: -164.295
flat angles P-C4'-P energy: -112.929
tors. eta vs tors. theta energy: -239.119
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2684.807255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.807255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.529795 (E_RNA)
where:
Base-Base interactions energy: -1882.438
where: short stacking energy: -785.922
Base-Backbone interact. energy: -0.730
local terms energy: -805.362422
where:
bonds (distance) C4'-P energy: -121.538
bonds (distance) P-C4' energy: -150.577
flat angles C4'-P-C4' energy: -175.620
flat angles P-C4'-P energy: -118.354
tors. eta vs tors. theta energy: -239.274
Dist. restrs. and SS energy: 3.723 (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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2553.457635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.457635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.182106 (E_RNA)
where:
Base-Base interactions energy: -1761.724
where: short stacking energy: -751.134
Base-Backbone interact. energy: -2.436
local terms energy: -793.022039
where:
bonds (distance) C4'-P energy: -136.403
bonds (distance) P-C4' energy: -149.674
flat angles C4'-P-C4' energy: -171.052
flat angles P-C4'-P energy: -110.657
tors. eta vs tors. theta energy: -225.237
Dist. restrs. and SS energy: 3.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2446.464176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.464176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.945210 (E_RNA)
where:
Base-Base interactions energy: -1717.744
where: short stacking energy: -699.987
Base-Backbone interact. energy: -1.137
local terms energy: -735.064252
where:
bonds (distance) C4'-P energy: -126.550
bonds (distance) P-C4' energy: -130.479
flat angles C4'-P-C4' energy: -160.669
flat angles P-C4'-P energy: -101.651
tors. eta vs tors. theta energy: -215.716
Dist. restrs. and SS energy: 7.481 (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: 410
Temperature: 1.150000
Total energy: -2332.708480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.708480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.632571 (E_RNA)
where:
Base-Base interactions energy: -1636.029
where: short stacking energy: -692.594
Base-Backbone interact. energy: -1.352
local terms energy: -705.252420
where:
bonds (distance) C4'-P energy: -127.595
bonds (distance) P-C4' energy: -138.019
flat angles C4'-P-C4' energy: -155.050
flat angles P-C4'-P energy: -86.978
tors. eta vs tors. theta energy: -197.610
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: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2296.751288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.751288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.954472 (E_RNA)
where:
Base-Base interactions energy: -1612.724
where: short stacking energy: -689.717
Base-Backbone interact. energy: 2.864
local terms energy: -693.094202
where:
bonds (distance) C4'-P energy: -117.018
bonds (distance) P-C4' energy: -124.661
flat angles C4'-P-C4' energy: -138.261
flat angles P-C4'-P energy: -108.139
tors. eta vs tors. theta energy: -205.015
Dist. restrs. and SS energy: 6.203 (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: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2235.108523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.108523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.446465 (E_RNA)
where:
Base-Base interactions energy: -1559.552
where: short stacking energy: -661.543
Base-Backbone interact. energy: -0.722
local terms energy: -682.172743
where:
bonds (distance) C4'-P energy: -126.221
bonds (distance) P-C4' energy: -116.034
flat angles C4'-P-C4' energy: -141.055
flat angles P-C4'-P energy: -107.671
tors. eta vs tors. theta energy: -191.191
Dist. restrs. and SS energy: 7.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -2169.315249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.315249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.786474 (E_RNA)
where:
Base-Base interactions energy: -1518.759
where: short stacking energy: -644.188
Base-Backbone interact. energy: -3.341
local terms energy: -667.685633
where:
bonds (distance) C4'-P energy: -126.271
bonds (distance) P-C4' energy: -119.681
flat angles C4'-P-C4' energy: -145.825
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -194.921
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: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1951.465847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.465847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.659973 (E_RNA)
where:
Base-Base interactions energy: -1378.769
where: short stacking energy: -570.194
Base-Backbone interact. energy: 1.048
local terms energy: -604.938461
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -118.672
flat angles C4'-P-C4' energy: -124.655
flat angles P-C4'-P energy: -91.280
tors. eta vs tors. theta energy: -160.270
Dist. restrs. and SS energy: 31.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2808.099633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.099633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.668154 (E_RNA)
where:
Base-Base interactions energy: -1952.204
where: short stacking energy: -822.579
Base-Backbone interact. energy: -2.740
local terms energy: -857.724060
where:
bonds (distance) C4'-P energy: -152.850
bonds (distance) P-C4' energy: -152.339
flat angles C4'-P-C4' energy: -167.372
flat angles P-C4'-P energy: -121.980
tors. eta vs tors. theta energy: -263.183
Dist. restrs. and SS energy: 4.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2733.225598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.225598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.980608 (E_RNA)
where:
Base-Base interactions energy: -1934.660
where: short stacking energy: -810.221
Base-Backbone interact. energy: -2.076
local terms energy: -800.244144
where:
bonds (distance) C4'-P energy: -142.053
bonds (distance) P-C4' energy: -149.654
flat angles C4'-P-C4' energy: -164.900
flat angles P-C4'-P energy: -110.216
tors. eta vs tors. theta energy: -233.420
Dist. restrs. and SS energy: 3.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2606.782412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.782412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.970805 (E_RNA)
where:
Base-Base interactions energy: -1806.899
where: short stacking energy: -771.072
Base-Backbone interact. energy: -3.266
local terms energy: -800.806437
where:
bonds (distance) C4'-P energy: -132.534
bonds (distance) P-C4' energy: -148.117
flat angles C4'-P-C4' energy: -161.323
flat angles P-C4'-P energy: -110.271
tors. eta vs tors. theta energy: -248.561
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2526.984443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.984443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.407987 (E_RNA)
where:
Base-Base interactions energy: -1793.257
where: short stacking energy: -766.851
Base-Backbone interact. energy: -1.750
local terms energy: -736.401079
where:
bonds (distance) C4'-P energy: -132.849
bonds (distance) P-C4' energy: -137.756
flat angles C4'-P-C4' energy: -156.662
flat angles P-C4'-P energy: -88.894
tors. eta vs tors. theta energy: -220.239
Dist. restrs. and SS energy: 4.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2444.159649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.159649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.559674 (E_RNA)
where:
Base-Base interactions energy: -1744.757
where: short stacking energy: -730.620
Base-Backbone interact. energy: 1.992
local terms energy: -713.794867
where:
bonds (distance) C4'-P energy: -110.249
bonds (distance) P-C4' energy: -135.279
flat angles C4'-P-C4' energy: -152.831
flat angles P-C4'-P energy: -102.087
tors. eta vs tors. theta energy: -213.349
Dist. restrs. and SS energy: 12.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2368.206199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.206199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.052691 (E_RNA)
where:
Base-Base interactions energy: -1660.620
where: short stacking energy: -688.709
Base-Backbone interact. energy: -5.041
local terms energy: -707.391563
where:
bonds (distance) C4'-P energy: -118.280
bonds (distance) P-C4' energy: -123.906
flat angles C4'-P-C4' energy: -153.891
flat angles P-C4'-P energy: -101.370
tors. eta vs tors. theta energy: -209.944
Dist. restrs. and SS energy: 4.846 (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: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2270.009280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.009280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.537725 (E_RNA)
where:
Base-Base interactions energy: -1609.750
where: short stacking energy: -651.026
Base-Backbone interact. energy: -0.119
local terms energy: -670.669058
where:
bonds (distance) C4'-P energy: -115.355
bonds (distance) P-C4' energy: -137.315
flat angles C4'-P-C4' energy: -145.965
flat angles P-C4'-P energy: -81.124
tors. eta vs tors. theta energy: -190.910
Dist. restrs. and SS energy: 10.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2211.953627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.953627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.309201 (E_RNA)
where:
Base-Base interactions energy: -1592.868
where: short stacking energy: -660.328
Base-Backbone interact. energy: 3.767
local terms energy: -630.208176
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -148.478
flat angles P-C4'-P energy: -85.450
tors. eta vs tors. theta energy: -183.988
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: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -2104.182723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.182723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.447192 (E_RNA)
where:
Base-Base interactions energy: -1486.122
where: short stacking energy: -618.105
Base-Backbone interact. energy: -3.575
local terms energy: -628.749297
where:
bonds (distance) C4'-P energy: -101.088
bonds (distance) P-C4' energy: -118.929
flat angles C4'-P-C4' energy: -141.062
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -197.537
Dist. restrs. and SS energy: 14.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1902.578197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.578197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.313331 (E_RNA)
where:
Base-Base interactions energy: -1343.985
where: short stacking energy: -585.338
Base-Backbone interact. energy: 0.895
local terms energy: -582.223752
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -110.330
flat angles C4'-P-C4' energy: -140.089
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -158.745
Dist. restrs. and SS energy: 22.735 (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: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2786.486425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.486425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.213914 (E_RNA)
where:
Base-Base interactions energy: -1942.014
where: short stacking energy: -850.135
Base-Backbone interact. energy: -3.003
local terms energy: -846.196745
where:
bonds (distance) C4'-P energy: -142.063
bonds (distance) P-C4' energy: -150.516
flat angles C4'-P-C4' energy: -174.439
flat angles P-C4'-P energy: -116.659
tors. eta vs tors. theta energy: -262.519
Dist. restrs. and SS energy: 4.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2726.259219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.259219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.104466 (E_RNA)
where:
Base-Base interactions energy: -1927.554
where: short stacking energy: -798.223
Base-Backbone interact. energy: -4.229
local terms energy: -799.321191
where:
bonds (distance) C4'-P energy: -141.090
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -165.940
flat angles P-C4'-P energy: -113.662
tors. eta vs tors. theta energy: -233.850
Dist. restrs. and SS energy: 4.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2609.505031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.505031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.815758 (E_RNA)
where:
Base-Base interactions energy: -1811.401
where: short stacking energy: -761.048
Base-Backbone interact. energy: -0.351
local terms energy: -802.062982
where:
bonds (distance) C4'-P energy: -140.133
bonds (distance) P-C4' energy: -151.347
flat angles C4'-P-C4' energy: -158.123
flat angles P-C4'-P energy: -109.435
tors. eta vs tors. theta energy: -243.024
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: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2562.267584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.267584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.505006 (E_RNA)
where:
Base-Base interactions energy: -1789.319
where: short stacking energy: -752.786
Base-Backbone interact. energy: -5.554
local terms energy: -771.631850
where:
bonds (distance) C4'-P energy: -127.948
bonds (distance) P-C4' energy: -135.652
flat angles C4'-P-C4' energy: -170.593
flat angles P-C4'-P energy: -117.153
tors. eta vs tors. theta energy: -220.286
Dist. restrs. and SS energy: 4.237 (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: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2471.174962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.174962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.710828 (E_RNA)
where:
Base-Base interactions energy: -1744.186
where: short stacking energy: -707.533
Base-Backbone interact. energy: 0.413
local terms energy: -736.937453
where:
bonds (distance) C4'-P energy: -136.803
bonds (distance) P-C4' energy: -133.731
flat angles C4'-P-C4' energy: -147.538
flat angles P-C4'-P energy: -95.539
tors. eta vs tors. theta energy: -223.326
Dist. restrs. and SS energy: 9.536 (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: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2368.253836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.253836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.633121 (E_RNA)
where:
Base-Base interactions energy: -1681.145
where: short stacking energy: -715.479
Base-Backbone interact. energy: 0.658
local terms energy: -692.146091
where:
bonds (distance) C4'-P energy: -122.932
bonds (distance) P-C4' energy: -131.168
flat angles C4'-P-C4' energy: -134.161
flat angles P-C4'-P energy: -86.801
tors. eta vs tors. theta energy: -217.084
Dist. restrs. and SS energy: 4.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2247.856322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.856322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.351624 (E_RNA)
where:
Base-Base interactions energy: -1605.322
where: short stacking energy: -667.646
Base-Backbone interact. energy: 0.334
local terms energy: -651.362981
where:
bonds (distance) C4'-P energy: -95.246
bonds (distance) P-C4' energy: -133.820
flat angles C4'-P-C4' energy: -143.242
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -191.737
Dist. restrs. and SS energy: 8.495 (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: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2242.893044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.893044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.492928 (E_RNA)
where:
Base-Base interactions energy: -1570.578
where: short stacking energy: -656.944
Base-Backbone interact. energy: -1.383
local terms energy: -678.531673
where:
bonds (distance) C4'-P energy: -107.919
bonds (distance) P-C4' energy: -127.160
flat angles C4'-P-C4' energy: -157.740
flat angles P-C4'-P energy: -90.863
tors. eta vs tors. theta energy: -194.851
Dist. restrs. and SS energy: 7.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -2172.150985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.988021 (E_RNA)
where:
Base-Base interactions energy: -1550.843
where: short stacking energy: -647.724
Base-Backbone interact. energy: 0.451
local terms energy: -635.596020
where:
bonds (distance) C4'-P energy: -87.521
bonds (distance) P-C4' energy: -122.283
flat angles C4'-P-C4' energy: -139.230
flat angles P-C4'-P energy: -88.448
tors. eta vs tors. theta energy: -198.113
Dist. restrs. and SS energy: 13.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1949.847502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.847502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.956999 (E_RNA)
where:
Base-Base interactions energy: -1408.298
where: short stacking energy: -578.727
Base-Backbone interact. energy: 5.454
local terms energy: -565.113061
where:
bonds (distance) C4'-P energy: -107.587
bonds (distance) P-C4' energy: -83.121
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -72.228
tors. eta vs tors. theta energy: -171.064
Dist. restrs. and SS energy: 18.109 (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: 413
Temperature: 0.900000
Total energy: -2768.187895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.187895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.355059 (E_RNA)
where:
Base-Base interactions energy: -1943.104
where: short stacking energy: -835.010
Base-Backbone interact. energy: -1.692
local terms energy: -826.559717
where:
bonds (distance) C4'-P energy: -142.073
bonds (distance) P-C4' energy: -153.661
flat angles C4'-P-C4' energy: -162.460
flat angles P-C4'-P energy: -117.290
tors. eta vs tors. theta energy: -251.076
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2726.266115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.266115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.746159 (E_RNA)
where:
Base-Base interactions energy: -1919.431
where: short stacking energy: -805.601
Base-Backbone interact. energy: -4.002
local terms energy: -807.313778
where:
bonds (distance) C4'-P energy: -137.712
bonds (distance) P-C4' energy: -131.779
flat angles C4'-P-C4' energy: -173.286
flat angles P-C4'-P energy: -127.030
tors. eta vs tors. theta energy: -237.507
Dist. restrs. and SS energy: 4.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2634.840608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.840608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.366771 (E_RNA)
where:
Base-Base interactions energy: -1848.086
where: short stacking energy: -802.312
Base-Backbone interact. energy: -3.054
local terms energy: -788.226669
where:
bonds (distance) C4'-P energy: -122.517
bonds (distance) P-C4' energy: -148.979
flat angles C4'-P-C4' energy: -166.086
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -248.672
Dist. restrs. and SS energy: 4.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2536.446503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.446503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.655431 (E_RNA)
where:
Base-Base interactions energy: -1784.786
where: short stacking energy: -744.419
Base-Backbone interact. energy: 0.602
local terms energy: -757.470955
where:
bonds (distance) C4'-P energy: -127.727
bonds (distance) P-C4' energy: -150.490
flat angles C4'-P-C4' energy: -156.779
flat angles P-C4'-P energy: -102.233
tors. eta vs tors. theta energy: -220.242
Dist. restrs. and SS energy: 5.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2469.982399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.982399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.298733 (E_RNA)
where:
Base-Base interactions energy: -1750.061
where: short stacking energy: -725.637
Base-Backbone interact. energy: 3.880
local terms energy: -731.118031
where:
bonds (distance) C4'-P energy: -132.359
bonds (distance) P-C4' energy: -128.011
flat angles C4'-P-C4' energy: -153.041
flat angles P-C4'-P energy: -99.391
tors. eta vs tors. theta energy: -218.316
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: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2408.970344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.970344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.244457 (E_RNA)
where:
Base-Base interactions energy: -1715.252
where: short stacking energy: -716.945
Base-Backbone interact. energy: -1.914
local terms energy: -696.079398
where:
bonds (distance) C4'-P energy: -117.601
bonds (distance) P-C4' energy: -128.599
flat angles C4'-P-C4' energy: -148.521
flat angles P-C4'-P energy: -100.398
tors. eta vs tors. theta energy: -200.961
Dist. restrs. and SS energy: 4.274 (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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2233.830479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.830479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.495463 (E_RNA)
where:
Base-Base interactions energy: -1557.906
where: short stacking energy: -655.584
Base-Backbone interact. energy: -2.516
local terms energy: -684.073201
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -141.685
flat angles C4'-P-C4' energy: -160.491
flat angles P-C4'-P energy: -91.908
tors. eta vs tors. theta energy: -189.926
Dist. restrs. and SS energy: 10.665 (S_DIST_RNA)
chem. 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: -2249.388467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.388467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.641499 (E_RNA)
where:
Base-Base interactions energy: -1605.615
where: short stacking energy: -648.648
Base-Backbone interact. energy: 3.436
local terms energy: -656.462308
where:
bonds (distance) C4'-P energy: -127.293
bonds (distance) P-C4' energy: -124.214
flat angles C4'-P-C4' energy: -131.722
flat angles P-C4'-P energy: -91.530
tors. eta vs tors. theta energy: -181.704
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: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -2120.401373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.401373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.833530 (E_RNA)
where:
Base-Base interactions energy: -1487.775
where: short stacking energy: -608.282
Base-Backbone interact. energy: -2.976
local terms energy: -643.082376
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -116.990
flat angles C4'-P-C4' energy: -125.732
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -198.541
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: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1915.140449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.140449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.745348 (E_RNA)
where:
Base-Base interactions energy: -1364.981
where: short stacking energy: -562.744
Base-Backbone interact. energy: 6.242
local terms energy: -583.006534
where:
bonds (distance) C4'-P energy: -78.348
bonds (distance) P-C4' energy: -132.846
flat angles C4'-P-C4' energy: -126.135
flat angles P-C4'-P energy: -76.824
tors. eta vs tors. theta energy: -168.854
Dist. restrs. and SS energy: 26.605 (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: 414
Temperature: 0.900000
Total energy: -2766.782605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.782605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.235409 (E_RNA)
where:
Base-Base interactions energy: -1934.400
where: short stacking energy: -837.223
Base-Backbone interact. energy: -1.974
local terms energy: -833.861218
where:
bonds (distance) C4'-P energy: -145.555
bonds (distance) P-C4' energy: -133.883
flat angles C4'-P-C4' energy: -174.871
flat angles P-C4'-P energy: -122.501
tors. eta vs tors. theta energy: -257.051
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: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2698.419770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.419770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.739601 (E_RNA)
where:
Base-Base interactions energy: -1896.563
where: short stacking energy: -780.111
Base-Backbone interact. energy: -2.077
local terms energy: -803.100208
where:
bonds (distance) C4'-P energy: -138.741
bonds (distance) P-C4' energy: -147.400
flat angles C4'-P-C4' energy: -165.551
flat angles P-C4'-P energy: -122.448
tors. eta vs tors. theta energy: -228.959
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2627.632892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.632892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.324838 (E_RNA)
where:
Base-Base interactions energy: -1841.404
where: short stacking energy: -809.348
Base-Backbone interact. energy: -0.360
local terms energy: -789.561432
where:
bonds (distance) C4'-P energy: -144.164
bonds (distance) P-C4' energy: -136.353
flat angles C4'-P-C4' energy: -174.280
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -245.586
Dist. restrs. and SS energy: 3.692 (S_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: 414
Temperature: 1.050000
Total energy: -2534.701184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.701184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.932199 (E_RNA)
where:
Base-Base interactions energy: -1779.885
where: short stacking energy: -753.671
Base-Backbone interact. energy: -2.687
local terms energy: -754.360002
where:
bonds (distance) C4'-P energy: -136.769
bonds (distance) P-C4' energy: -134.156
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -103.848
tors. eta vs tors. theta energy: -217.497
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2495.028929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.028929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.314163 (E_RNA)
where:
Base-Base interactions energy: -1761.634
where: short stacking energy: -742.979
Base-Backbone interact. energy: -2.087
local terms energy: -737.592416
where:
bonds (distance) C4'-P energy: -119.078
bonds (distance) P-C4' energy: -139.658
flat angles C4'-P-C4' energy: -154.201
flat angles P-C4'-P energy: -98.835
tors. eta vs tors. theta energy: -225.820
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2406.369058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.369058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.640289 (E_RNA)
where:
Base-Base interactions energy: -1731.260
where: short stacking energy: -730.362
Base-Backbone interact. energy: 1.237
local terms energy: -682.616890
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -150.791
flat angles P-C4'-P energy: -90.005
tors. eta vs tors. theta energy: -200.868
Dist. restrs. and SS energy: 6.271 (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: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2274.167100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.167100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.223322 (E_RNA)
where:
Base-Base interactions energy: -1604.376
where: short stacking energy: -687.879
Base-Backbone interact. energy: 3.728
local terms energy: -682.574397
where:
bonds (distance) C4'-P energy: -119.058
bonds (distance) P-C4' energy: -115.029
flat angles C4'-P-C4' energy: -155.155
flat angles P-C4'-P energy: -92.477
tors. eta vs tors. theta energy: -200.855
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: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2167.062061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.062061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.589841 (E_RNA)
where:
Base-Base interactions energy: -1534.939
where: short stacking energy: -646.843
Base-Backbone interact. energy: -1.133
local terms energy: -639.518474
where:
bonds (distance) C4'-P energy: -110.159
bonds (distance) P-C4' energy: -114.894
flat angles C4'-P-C4' energy: -139.656
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -184.214
Dist. restrs. and SS energy: 8.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -2060.314432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.314432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.384559 (E_RNA)
where:
Base-Base interactions energy: -1460.465
where: short stacking energy: -597.591
Base-Backbone interact. energy: -2.922
local terms energy: -618.997621
where:
bonds (distance) C4'-P energy: -116.267
bonds (distance) P-C4' energy: -111.191
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -92.118
tors. eta vs tors. theta energy: -173.171
Dist. restrs. and SS energy: 22.070 (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: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1898.053056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.053056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.949813 (E_RNA)
where:
Base-Base interactions energy: -1349.435
where: short stacking energy: -556.555
Base-Backbone interact. energy: 1.504
local terms energy: -577.018618
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -138.678
flat angles C4'-P-C4' energy: -133.624
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -151.365
Dist. restrs. and SS energy: 26.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2770.016477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.016477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.731413 (E_RNA)
where:
Base-Base interactions energy: -1937.041
where: short stacking energy: -821.242
Base-Backbone interact. energy: -3.305
local terms energy: -834.385356
where:
bonds (distance) C4'-P energy: -135.364
bonds (distance) P-C4' energy: -151.591
flat angles C4'-P-C4' energy: -165.926
flat angles P-C4'-P energy: -124.096
tors. eta vs tors. theta energy: -257.408
Dist. restrs. and SS energy: 4.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2689.697222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.697222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.950310 (E_RNA)
where:
Base-Base interactions energy: -1877.418
where: short stacking energy: -795.247
Base-Backbone interact. energy: -4.195
local terms energy: -811.336822
where:
bonds (distance) C4'-P energy: -144.244
bonds (distance) P-C4' energy: -136.224
flat angles C4'-P-C4' energy: -174.564
flat angles P-C4'-P energy: -119.178
tors. eta vs tors. theta energy: -237.126
Dist. restrs. and SS energy: 3.253 (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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2630.397035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.145846 (E_RNA)
where:
Base-Base interactions energy: -1851.772
where: short stacking energy: -779.033
Base-Backbone interact. energy: 2.332
local terms energy: -785.706368
where:
bonds (distance) C4'-P energy: -105.717
bonds (distance) P-C4' energy: -144.280
flat angles C4'-P-C4' energy: -166.157
flat angles P-C4'-P energy: -124.523
tors. eta vs tors. theta energy: -245.030
Dist. restrs. and SS energy: 4.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2529.233951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.233951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.434065 (E_RNA)
where:
Base-Base interactions energy: -1759.513
where: short stacking energy: -755.580
Base-Backbone interact. energy: 0.093
local terms energy: -774.013902
where:
bonds (distance) C4'-P energy: -142.816
bonds (distance) P-C4' energy: -138.825
flat angles C4'-P-C4' energy: -158.132
flat angles P-C4'-P energy: -108.711
tors. eta vs tors. theta energy: -225.531
Dist. restrs. and SS energy: 4.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2454.449524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.449524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.517624 (E_RNA)
where:
Base-Base interactions energy: -1730.612
where: short stacking energy: -726.166
Base-Backbone interact. energy: -0.341
local terms energy: -731.565235
where:
bonds (distance) C4'-P energy: -120.993
bonds (distance) P-C4' energy: -128.488
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -110.391
tors. eta vs tors. theta energy: -213.683
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: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2417.848882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.848882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.008152 (E_RNA)
where:
Base-Base interactions energy: -1687.820
where: short stacking energy: -709.426
Base-Backbone interact. energy: -2.735
local terms energy: -731.453898
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -117.308
flat angles C4'-P-C4' energy: -155.904
flat angles P-C4'-P energy: -119.007
tors. eta vs tors. theta energy: -207.618
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2284.987862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.787623 (E_RNA)
where:
Base-Base interactions energy: -1627.630
where: short stacking energy: -687.797
Base-Backbone interact. energy: 4.428
local terms energy: -666.585824
where:
bonds (distance) C4'-P energy: -101.666
bonds (distance) P-C4' energy: -116.705
flat angles C4'-P-C4' energy: -156.095
flat angles P-C4'-P energy: -103.405
tors. eta vs tors. theta energy: -188.715
Dist. restrs. and SS energy: 4.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2178.257100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.257100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.359110 (E_RNA)
where:
Base-Base interactions energy: -1523.518
where: short stacking energy: -638.281
Base-Backbone interact. energy: 2.154
local terms energy: -665.995047
where:
bonds (distance) C4'-P energy: -134.697
bonds (distance) P-C4' energy: -121.591
flat angles C4'-P-C4' energy: -144.178
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -186.939
Dist. restrs. and SS energy: 9.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -2066.950603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.950603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.993534 (E_RNA)
where:
Base-Base interactions energy: -1449.239
where: short stacking energy: -614.994
Base-Backbone interact. energy: -1.563
local terms energy: -632.191089
where:
bonds (distance) C4'-P energy: -123.459
bonds (distance) P-C4' energy: -118.773
flat angles C4'-P-C4' energy: -118.342
flat angles P-C4'-P energy: -79.164
tors. eta vs tors. theta energy: -192.452
Dist. restrs. and SS energy: 16.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1918.063454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.063454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.194724 (E_RNA)
where:
Base-Base interactions energy: -1365.051
where: short stacking energy: -569.106
Base-Backbone interact. energy: -2.418
local terms energy: -572.725862
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -105.276
flat angles C4'-P-C4' energy: -138.214
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -146.841
Dist. restrs. and SS energy: 22.131 (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: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2751.927105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.927105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.110323 (E_RNA)
where:
Base-Base interactions energy: -1900.627
where: short stacking energy: -798.052
Base-Backbone interact. energy: -2.932
local terms energy: -851.550780
where:
bonds (distance) C4'-P energy: -144.676
bonds (distance) P-C4' energy: -157.050
flat angles C4'-P-C4' energy: -176.126
flat angles P-C4'-P energy: -128.348
tors. eta vs tors. theta energy: -245.351
Dist. restrs. and SS energy: 3.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2722.380486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.380486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.739813 (E_RNA)
where:
Base-Base interactions energy: -1931.369
where: short stacking energy: -790.008
Base-Backbone interact. energy: -3.904
local terms energy: -790.467124
where:
bonds (distance) C4'-P energy: -129.766
bonds (distance) P-C4' energy: -158.153
flat angles C4'-P-C4' energy: -165.948
flat angles P-C4'-P energy: -102.531
tors. eta vs tors. theta energy: -234.070
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2616.006600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.006600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.483131 (E_RNA)
where:
Base-Base interactions energy: -1848.516
where: short stacking energy: -770.226
Base-Backbone interact. energy: -1.970
local terms energy: -768.997676
where:
bonds (distance) C4'-P energy: -130.675
bonds (distance) P-C4' energy: -139.573
flat angles C4'-P-C4' energy: -154.163
flat angles P-C4'-P energy: -107.888
tors. eta vs tors. theta energy: -236.698
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2574.705774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.705774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.707401 (E_RNA)
where:
Base-Base interactions energy: -1818.224
where: short stacking energy: -766.141
Base-Backbone interact. energy: -3.357
local terms energy: -757.126621
where:
bonds (distance) C4'-P energy: -135.975
bonds (distance) P-C4' energy: -127.962
flat angles C4'-P-C4' energy: -166.046
flat angles P-C4'-P energy: -95.435
tors. eta vs tors. theta energy: -231.709
Dist. restrs. and SS energy: 4.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2449.834207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.834207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.494088 (E_RNA)
where:
Base-Base interactions energy: -1739.000
where: short stacking energy: -734.684
Base-Backbone interact. energy: -4.545
local terms energy: -712.949137
where:
bonds (distance) C4'-P energy: -122.020
bonds (distance) P-C4' energy: -132.028
flat angles C4'-P-C4' energy: -151.554
flat angles P-C4'-P energy: -93.217
tors. eta vs tors. theta energy: -214.131
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: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2378.466410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.466410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.800649 (E_RNA)
where:
Base-Base interactions energy: -1697.268
where: short stacking energy: -720.780
Base-Backbone interact. energy: -3.560
local terms energy: -680.972428
where:
bonds (distance) C4'-P energy: -121.416
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -149.662
flat angles P-C4'-P energy: -74.686
tors. eta vs tors. theta energy: -207.707
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: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2330.211380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.211380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.850231 (E_RNA)
where:
Base-Base interactions energy: -1643.334
where: short stacking energy: -686.166
Base-Backbone interact. energy: -2.595
local terms energy: -687.921361
where:
bonds (distance) C4'-P energy: -110.773
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -151.331
flat angles P-C4'-P energy: -84.818
tors. eta vs tors. theta energy: -210.381
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2190.411888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.411888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.752211 (E_RNA)
where:
Base-Base interactions energy: -1537.809
where: short stacking energy: -638.859
Base-Backbone interact. energy: -1.211
local terms energy: -660.732723
where:
bonds (distance) C4'-P energy: -129.385
bonds (distance) P-C4' energy: -121.726
flat angles C4'-P-C4' energy: -138.270
flat angles P-C4'-P energy: -75.784
tors. eta vs tors. theta energy: -195.568
Dist. restrs. and SS energy: 9.340 (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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -2004.414131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.820060 (E_RNA)
where:
Base-Base interactions energy: -1414.034
where: short stacking energy: -596.081
Base-Backbone interact. energy: -1.626
local terms energy: -610.160505
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -115.109
flat angles C4'-P-C4' energy: -136.922
flat angles P-C4'-P energy: -81.402
tors. eta vs tors. theta energy: -172.852
Dist. restrs. and SS energy: 21.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -2090.159507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.159507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.264588 (E_RNA)
where:
Base-Base interactions energy: -1469.875
where: short stacking energy: -604.672
Base-Backbone interact. energy: 2.568
local terms energy: -634.958285
where:
bonds (distance) C4'-P energy: -108.393
bonds (distance) P-C4' energy: -121.594
flat angles C4'-P-C4' energy: -130.987
flat angles P-C4'-P energy: -89.689
tors. eta vs tors. theta energy: -184.295
Dist. restrs. and SS energy: 12.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2779.508505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.508505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.099336 (E_RNA)
where:
Base-Base interactions energy: -1929.467
where: short stacking energy: -843.945
Base-Backbone interact. energy: -3.030
local terms energy: -850.602662
where:
bonds (distance) C4'-P energy: -151.516
bonds (distance) P-C4' energy: -143.322
flat angles C4'-P-C4' energy: -167.085
flat angles P-C4'-P energy: -127.072
tors. eta vs tors. theta energy: -261.608
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: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2667.624334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.624334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.941565 (E_RNA)
where:
Base-Base interactions energy: -1880.604
where: short stacking energy: -800.717
Base-Backbone interact. energy: -0.181
local terms energy: -792.156314
where:
bonds (distance) C4'-P energy: -136.908
bonds (distance) P-C4' energy: -141.152
flat angles C4'-P-C4' energy: -164.896
flat angles P-C4'-P energy: -125.089
tors. eta vs tors. theta energy: -224.112
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: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2594.098033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.098033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.536355 (E_RNA)
where:
Base-Base interactions energy: -1830.310
where: short stacking energy: -775.453
Base-Backbone interact. energy: 3.007
local terms energy: -770.233823
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -139.169
flat angles C4'-P-C4' energy: -161.318
flat angles P-C4'-P energy: -100.534
tors. eta vs tors. theta energy: -237.598
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: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2551.778054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.778054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.245449 (E_RNA)
where:
Base-Base interactions energy: -1782.199
where: short stacking energy: -758.527
Base-Backbone interact. energy: -2.498
local terms energy: -771.547984
where:
bonds (distance) C4'-P energy: -128.214
bonds (distance) P-C4' energy: -140.255
flat angles C4'-P-C4' energy: -173.739
flat angles P-C4'-P energy: -103.116
tors. eta vs tors. theta energy: -226.225
Dist. restrs. and SS energy: 4.467 (S_DIST_RNA)
chem. 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: -2431.937184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.937184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.652254 (E_RNA)
where:
Base-Base interactions energy: -1723.807
where: short stacking energy: -701.362
Base-Backbone interact. energy: -2.638
local terms energy: -713.208109
where:
bonds (distance) C4'-P energy: -134.163
bonds (distance) P-C4' energy: -120.013
flat angles C4'-P-C4' energy: -154.724
flat angles P-C4'-P energy: -104.102
tors. eta vs tors. theta energy: -200.206
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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2379.433034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.433034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.826936 (E_RNA)
where:
Base-Base interactions energy: -1690.815
where: short stacking energy: -720.918
Base-Backbone interact. energy: -2.938
local terms energy: -690.074101
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -149.872
flat angles P-C4'-P energy: -81.654
tors. eta vs tors. theta energy: -211.135
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2350.258261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.258261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.786858 (E_RNA)
where:
Base-Base interactions energy: -1619.359
where: short stacking energy: -690.165
Base-Backbone interact. energy: -0.433
local terms energy: -733.994826
where:
bonds (distance) C4'-P energy: -132.874
bonds (distance) P-C4' energy: -132.385
flat angles C4'-P-C4' energy: -162.781
flat angles P-C4'-P energy: -95.125
tors. eta vs tors. theta energy: -210.829
Dist. restrs. and SS energy: 3.529 (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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2160.281073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.281073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.999715 (E_RNA)
where:
Base-Base interactions energy: -1511.827
where: short stacking energy: -662.746
Base-Backbone interact. energy: -3.697
local terms energy: -656.476194
where:
bonds (distance) C4'-P energy: -119.110
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -136.166
flat angles P-C4'-P energy: -88.333
tors. eta vs tors. theta energy: -196.470
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -2006.984633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.984633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.519129 (E_RNA)
where:
Base-Base interactions energy: -1389.034
where: short stacking energy: -570.573
Base-Backbone interact. energy: -0.088
local terms energy: -638.396331
where:
bonds (distance) C4'-P energy: -106.514
bonds (distance) P-C4' energy: -131.955
flat angles C4'-P-C4' energy: -140.536
flat angles P-C4'-P energy: -90.332
tors. eta vs tors. theta energy: -169.060
Dist. restrs. and SS energy: 20.534 (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: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -2018.026721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.026721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.563242 (E_RNA)
where:
Base-Base interactions energy: -1425.147
where: short stacking energy: -601.486
Base-Backbone interact. energy: -0.959
local terms energy: -611.456551
where:
bonds (distance) C4'-P energy: -123.532
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -124.281
flat angles P-C4'-P energy: -80.199
tors. eta vs tors. theta energy: -183.110
Dist. restrs. and SS energy: 19.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2786.602180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.602180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.592146 (E_RNA)
where:
Base-Base interactions energy: -1933.616
where: short stacking energy: -854.252
Base-Backbone interact. energy: -0.657
local terms energy: -855.319649
where:
bonds (distance) C4'-P energy: -157.007
bonds (distance) P-C4' energy: -148.494
flat angles C4'-P-C4' energy: -176.756
flat angles P-C4'-P energy: -114.689
tors. eta vs tors. theta energy: -258.374
Dist. restrs. and SS energy: 2.990 (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: 418
Temperature: 0.950000
Total energy: -2701.305484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.305484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.382005 (E_RNA)
where:
Base-Base interactions energy: -1897.538
where: short stacking energy: -806.991
Base-Backbone interact. energy: -3.450
local terms energy: -806.394307
where:
bonds (distance) C4'-P energy: -134.185
bonds (distance) P-C4' energy: -137.642
flat angles C4'-P-C4' energy: -169.356
flat angles P-C4'-P energy: -125.402
tors. eta vs tors. theta energy: -239.810
Dist. restrs. and SS energy: 6.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2622.671540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.671540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.371496 (E_RNA)
where:
Base-Base interactions energy: -1822.142
where: short stacking energy: -760.408
Base-Backbone interact. energy: -1.964
local terms energy: -802.265606
where:
bonds (distance) C4'-P energy: -145.295
bonds (distance) P-C4' energy: -131.296
flat angles C4'-P-C4' energy: -180.009
flat angles P-C4'-P energy: -101.900
tors. eta vs tors. theta energy: -243.765
Dist. restrs. and SS energy: 3.700 (S_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: 418
Temperature: 1.050000
Total energy: -2522.939537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.939537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.908469 (E_RNA)
where:
Base-Base interactions energy: -1792.098
where: short stacking energy: -750.257
Base-Backbone interact. energy: -6.882
local terms energy: -727.927856
where:
bonds (distance) C4'-P energy: -127.383
bonds (distance) P-C4' energy: -112.975
flat angles C4'-P-C4' energy: -169.545
flat angles P-C4'-P energy: -99.253
tors. eta vs tors. theta energy: -218.772
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: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2480.947597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.947597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.631263 (E_RNA)
where:
Base-Base interactions energy: -1735.202
where: short stacking energy: -732.748
Base-Backbone interact. energy: -1.364
local terms energy: -748.065037
where:
bonds (distance) C4'-P energy: -133.031
bonds (distance) P-C4' energy: -138.581
flat angles C4'-P-C4' energy: -140.481
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -222.299
Dist. restrs. and SS energy: 3.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2389.088708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.088708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.682861 (E_RNA)
where:
Base-Base interactions energy: -1691.773
where: short stacking energy: -702.147
Base-Backbone interact. energy: 1.066
local terms energy: -705.976206
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -116.981
flat angles C4'-P-C4' energy: -163.014
flat angles P-C4'-P energy: -110.423
tors. eta vs tors. theta energy: -209.416
Dist. restrs. and SS energy: 7.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2345.278699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.278699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.467813 (E_RNA)
where:
Base-Base interactions energy: -1657.036
where: short stacking energy: -711.062
Base-Backbone interact. energy: -0.933
local terms energy: -693.498369
where:
bonds (distance) C4'-P energy: -138.119
bonds (distance) P-C4' energy: -119.323
flat angles C4'-P-C4' energy: -150.078
flat angles P-C4'-P energy: -87.528
tors. eta vs tors. theta energy: -198.450
Dist. restrs. and SS energy: 6.189 (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: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2165.907547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.907547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.829743 (E_RNA)
where:
Base-Base interactions energy: -1517.417
where: short stacking energy: -623.652
Base-Backbone interact. energy: 4.787
local terms energy: -669.200155
where:
bonds (distance) C4'-P energy: -119.906
bonds (distance) P-C4' energy: -134.171
flat angles C4'-P-C4' energy: -143.238
flat angles P-C4'-P energy: -87.049
tors. eta vs tors. theta energy: -184.837
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: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -2085.922903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.922903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.212952 (E_RNA)
where:
Base-Base interactions energy: -1472.846
where: short stacking energy: -624.841
Base-Backbone interact. energy: 1.151
local terms energy: -631.517504
where:
bonds (distance) C4'-P energy: -108.995
bonds (distance) P-C4' energy: -115.306
flat angles C4'-P-C4' energy: -134.643
flat angles P-C4'-P energy: -85.311
tors. eta vs tors. theta energy: -187.263
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1958.865430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.865430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.614954 (E_RNA)
where:
Base-Base interactions energy: -1389.094
where: short stacking energy: -605.655
Base-Backbone interact. energy: -2.348
local terms energy: -593.172996
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -115.637
flat angles C4'-P-C4' energy: -131.358
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -174.419
Dist. restrs. and SS energy: 25.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2801.394443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.394443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.106671 (E_RNA)
where:
Base-Base interactions energy: -1965.497
where: short stacking energy: -860.521
Base-Backbone interact. energy: -0.991
local terms energy: -838.619358
where:
bonds (distance) C4'-P energy: -139.455
bonds (distance) P-C4' energy: -144.005
flat angles C4'-P-C4' energy: -170.919
flat angles P-C4'-P energy: -127.989
tors. eta vs tors. theta energy: -256.251
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2680.279310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.279310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.620804 (E_RNA)
where:
Base-Base interactions energy: -1877.273
where: short stacking energy: -812.789
Base-Backbone interact. energy: -2.607
local terms energy: -803.740565
where:
bonds (distance) C4'-P energy: -135.523
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -169.958
flat angles P-C4'-P energy: -108.810
tors. eta vs tors. theta energy: -249.101
Dist. restrs. and SS energy: 3.341 (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: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2655.012944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.012944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.387400 (E_RNA)
where:
Base-Base interactions energy: -1855.443
where: short stacking energy: -778.543
Base-Backbone interact. energy: -3.497
local terms energy: -801.447333
where:
bonds (distance) C4'-P energy: -138.092
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -169.405
flat angles P-C4'-P energy: -115.698
tors. eta vs tors. theta energy: -236.694
Dist. restrs. and SS energy: 5.374 (S_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: 419
Temperature: 1.050000
Total energy: -2517.119382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.119382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.395313 (E_RNA)
where:
Base-Base interactions energy: -1788.676
where: short stacking energy: -744.215
Base-Backbone interact. energy: -3.872
local terms energy: -728.847576
where:
bonds (distance) C4'-P energy: -124.697
bonds (distance) P-C4' energy: -119.623
flat angles C4'-P-C4' energy: -159.032
flat angles P-C4'-P energy: -113.087
tors. eta vs tors. theta energy: -212.408
Dist. restrs. and SS energy: 4.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2460.308817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.308817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.076190 (E_RNA)
where:
Base-Base interactions energy: -1704.057
where: short stacking energy: -724.426
Base-Backbone interact. energy: 2.623
local terms energy: -761.641217
where:
bonds (distance) C4'-P energy: -129.408
bonds (distance) P-C4' energy: -156.853
flat angles C4'-P-C4' energy: -152.917
flat angles P-C4'-P energy: -102.041
tors. eta vs tors. theta energy: -220.422
Dist. restrs. and SS energy: 2.767 (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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2382.734335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.734335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.333217 (E_RNA)
where:
Base-Base interactions energy: -1681.596
where: short stacking energy: -729.189
Base-Backbone interact. energy: -4.391
local terms energy: -703.346331
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -130.902
flat angles C4'-P-C4' energy: -151.323
flat angles P-C4'-P energy: -88.492
tors. eta vs tors. theta energy: -205.286
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: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2301.389316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.389316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.942132 (E_RNA)
where:
Base-Base interactions energy: -1645.113
where: short stacking energy: -676.856
Base-Backbone interact. energy: -2.646
local terms energy: -666.182962
where:
bonds (distance) C4'-P energy: -123.505
bonds (distance) P-C4' energy: -127.520
flat angles C4'-P-C4' energy: -150.887
flat angles P-C4'-P energy: -82.563
tors. eta vs tors. theta energy: -181.709
Dist. restrs. and SS energy: 12.553 (S_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: 419
Temperature: 1.250000
Total energy: -2221.040758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.040758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.700123 (E_RNA)
where:
Base-Base interactions energy: -1558.544
where: short stacking energy: -641.101
Base-Backbone interact. energy: 2.053
local terms energy: -676.208735
where:
bonds (distance) C4'-P energy: -124.242
bonds (distance) P-C4' energy: -128.252
flat angles C4'-P-C4' energy: -146.976
flat angles P-C4'-P energy: -101.102
tors. eta vs tors. theta energy: -175.637
Dist. restrs. and SS energy: 11.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -2168.630776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.630776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.027540 (E_RNA)
where:
Base-Base interactions energy: -1532.217
where: short stacking energy: -645.205
Base-Backbone interact. energy: 10.048
local terms energy: -662.858216
where:
bonds (distance) C4'-P energy: -98.735
bonds (distance) P-C4' energy: -130.433
flat angles C4'-P-C4' energy: -140.777
flat angles P-C4'-P energy: -85.284
tors. eta vs tors. theta energy: -207.628
Dist. restrs. and SS energy: 16.397 (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: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1915.094867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.094867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.714812 (E_RNA)
where:
Base-Base interactions energy: -1363.699
where: short stacking energy: -582.527
Base-Backbone interact. energy: -0.877
local terms energy: -575.138378
where:
bonds (distance) C4'-P energy: -90.361
bonds (distance) P-C4' energy: -111.311
flat angles C4'-P-C4' energy: -136.235
flat angles P-C4'-P energy: -68.257
tors. eta vs tors. theta energy: -168.975
Dist. restrs. and SS energy: 24.620 (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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2807.334453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.334453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.943071 (E_RNA)
where:
Base-Base interactions energy: -1955.684
where: short stacking energy: -841.657
Base-Backbone interact. energy: -2.184
local terms energy: -852.074763
where:
bonds (distance) C4'-P energy: -155.931
bonds (distance) P-C4' energy: -141.186
flat angles C4'-P-C4' energy: -165.880
flat angles P-C4'-P energy: -125.458
tors. eta vs tors. theta energy: -263.619
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2668.375368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.375368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.667916 (E_RNA)
where:
Base-Base interactions energy: -1873.958
where: short stacking energy: -784.067
Base-Backbone interact. energy: -1.139
local terms energy: -795.570953
where:
bonds (distance) C4'-P energy: -135.960
bonds (distance) P-C4' energy: -137.389
flat angles C4'-P-C4' energy: -167.958
flat angles P-C4'-P energy: -114.438
tors. eta vs tors. theta energy: -239.826
Dist. restrs. and SS energy: 2.293 (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: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2625.819351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.247465 (E_RNA)
where:
Base-Base interactions energy: -1836.600
where: short stacking energy: -752.385
Base-Backbone interact. energy: -5.369
local terms energy: -788.278000
where:
bonds (distance) C4'-P energy: -123.803
bonds (distance) P-C4' energy: -142.784
flat angles C4'-P-C4' energy: -172.696
flat angles P-C4'-P energy: -120.645
tors. eta vs tors. theta energy: -228.350
Dist. restrs. and SS energy: 4.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2543.611672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.611672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.414674 (E_RNA)
where:
Base-Base interactions energy: -1810.846
where: short stacking energy: -751.463
Base-Backbone interact. energy: 0.352
local terms energy: -735.920911
where:
bonds (distance) C4'-P energy: -106.898
bonds (distance) P-C4' energy: -143.161
flat angles C4'-P-C4' energy: -146.966
flat angles P-C4'-P energy: -113.017
tors. eta vs tors. theta energy: -225.879
Dist. restrs. and SS energy: 2.803 (S_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: 420
Temperature: 1.100000
Total energy: -2449.686946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.686946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.833589 (E_RNA)
where:
Base-Base interactions energy: -1729.429
where: short stacking energy: -702.255
Base-Backbone interact. energy: -1.774
local terms energy: -724.629723
where:
bonds (distance) C4'-P energy: -134.074
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -164.184
flat angles P-C4'-P energy: -97.054
tors. eta vs tors. theta energy: -203.177
Dist. restrs. and SS energy: 6.147 (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: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2398.173185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.173185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.166227 (E_RNA)
where:
Base-Base interactions energy: -1706.934
where: short stacking energy: -742.991
Base-Backbone interact. energy: -2.860
local terms energy: -691.371891
where:
bonds (distance) C4'-P energy: -123.280
bonds (distance) P-C4' energy: -111.575
flat angles C4'-P-C4' energy: -141.646
flat angles P-C4'-P energy: -103.045
tors. eta vs tors. theta energy: -211.826
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2260.584547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.584547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.543635 (E_RNA)
where:
Base-Base interactions energy: -1604.268
where: short stacking energy: -637.654
Base-Backbone interact. energy: 3.672
local terms energy: -668.946981
where:
bonds (distance) C4'-P energy: -133.106
bonds (distance) P-C4' energy: -124.296
flat angles C4'-P-C4' energy: -140.640
flat angles P-C4'-P energy: -87.360
tors. eta vs tors. theta energy: -183.546
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: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2145.779462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.779462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.461213 (E_RNA)
where:
Base-Base interactions energy: -1529.751
where: short stacking energy: -663.002
Base-Backbone interact. energy: -0.598
local terms energy: -627.112690
where:
bonds (distance) C4'-P energy: -114.659
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -146.852
flat angles P-C4'-P energy: -82.451
tors. eta vs tors. theta energy: -183.419
Dist. restrs. and SS energy: 11.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -2088.732981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.732981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.946856 (E_RNA)
where:
Base-Base interactions energy: -1499.259
where: short stacking energy: -625.765
Base-Backbone interact. energy: -1.444
local terms energy: -607.243845
where:
bonds (distance) C4'-P energy: -95.708
bonds (distance) P-C4' energy: -106.798
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -66.566
tors. eta vs tors. theta energy: -191.022
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: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1897.212583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.212583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.962373 (E_RNA)
where:
Base-Base interactions energy: -1362.135
where: short stacking energy: -540.969
Base-Backbone interact. energy: -3.512
local terms energy: -550.315721
where:
bonds (distance) C4'-P energy: -97.130
bonds (distance) P-C4' energy: -88.695
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -144.387
Dist. restrs. and SS energy: 18.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2750.976684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.976684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.522579 (E_RNA)
where:
Base-Base interactions energy: -1934.111
where: short stacking energy: -818.465
Base-Backbone interact. energy: -0.735
local terms energy: -822.676686
where:
bonds (distance) C4'-P energy: -141.795
bonds (distance) P-C4' energy: -136.043
flat angles C4'-P-C4' energy: -163.769
flat angles P-C4'-P energy: -133.841
tors. eta vs tors. theta energy: -247.229
Dist. restrs. and SS energy: 6.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2676.721288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.721288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.996063 (E_RNA)
where:
Base-Base interactions energy: -1888.320
where: short stacking energy: -782.822
Base-Backbone interact. energy: 0.603
local terms energy: -793.279088
where:
bonds (distance) C4'-P energy: -134.986
bonds (distance) P-C4' energy: -145.030
flat angles C4'-P-C4' energy: -171.260
flat angles P-C4'-P energy: -114.100
tors. eta vs tors. theta energy: -227.902
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: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2651.796980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.796980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.430782 (E_RNA)
where:
Base-Base interactions energy: -1884.404
where: short stacking energy: -772.271
Base-Backbone interact. energy: -3.721
local terms energy: -770.305241
where:
bonds (distance) C4'-P energy: -135.252
bonds (distance) P-C4' energy: -132.940
flat angles C4'-P-C4' energy: -155.044
flat angles P-C4'-P energy: -111.960
tors. eta vs tors. theta energy: -235.109
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: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2534.793049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.793049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.785904 (E_RNA)
where:
Base-Base interactions energy: -1767.803
where: short stacking energy: -751.146
Base-Backbone interact. energy: -2.089
local terms energy: -768.893578
where:
bonds (distance) C4'-P energy: -149.791
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -155.975
flat angles P-C4'-P energy: -110.956
tors. eta vs tors. theta energy: -220.559
Dist. restrs. and SS energy: 3.993 (S_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: 421
Temperature: 1.100000
Total energy: -2486.117206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.117206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.665966 (E_RNA)
where:
Base-Base interactions energy: -1723.874
where: short stacking energy: -731.250
Base-Backbone interact. energy: -1.908
local terms energy: -764.883856
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -149.339
flat angles C4'-P-C4' energy: -157.730
flat angles P-C4'-P energy: -103.238
tors. eta vs tors. theta energy: -217.128
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2406.368444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.368444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.582006 (E_RNA)
where:
Base-Base interactions energy: -1694.127
where: short stacking energy: -713.416
Base-Backbone interact. energy: -5.492
local terms energy: -711.963107
where:
bonds (distance) C4'-P energy: -117.826
bonds (distance) P-C4' energy: -134.322
flat angles C4'-P-C4' energy: -156.472
flat angles P-C4'-P energy: -88.650
tors. eta vs tors. theta energy: -214.694
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2263.619203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.619203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.302249 (E_RNA)
where:
Base-Base interactions energy: -1626.614
where: short stacking energy: -666.605
Base-Backbone interact. energy: -2.487
local terms energy: -644.201175
where:
bonds (distance) C4'-P energy: -96.837
bonds (distance) P-C4' energy: -126.260
flat angles C4'-P-C4' energy: -137.881
flat angles P-C4'-P energy: -94.266
tors. eta vs tors. theta energy: -188.957
Dist. restrs. and SS energy: 9.683 (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: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2232.316967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.316967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.495756 (E_RNA)
where:
Base-Base interactions energy: -1558.955
where: short stacking energy: -640.585
Base-Backbone interact. energy: -1.105
local terms energy: -679.436077
where:
bonds (distance) C4'-P energy: -118.668
bonds (distance) P-C4' energy: -133.534
flat angles C4'-P-C4' energy: -145.376
flat angles P-C4'-P energy: -84.684
tors. eta vs tors. theta energy: -197.174
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -2095.519125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.519125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.416914 (E_RNA)
where:
Base-Base interactions energy: -1480.504
where: short stacking energy: -610.095
Base-Backbone interact. energy: -2.997
local terms energy: -625.915061
where:
bonds (distance) C4'-P energy: -104.553
bonds (distance) P-C4' energy: -138.580
flat angles C4'-P-C4' energy: -130.973
flat angles P-C4'-P energy: -83.774
tors. eta vs tors. theta energy: -168.035
Dist. restrs. and SS energy: 13.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1932.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.937044 (E_RNA)
where:
Base-Base interactions energy: -1383.911
where: short stacking energy: -576.069
Base-Backbone interact. energy: -4.941
local terms energy: -575.084625
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -104.335
flat angles C4'-P-C4' energy: -124.099
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -165.683
Dist. restrs. and SS energy: 31.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2727.339137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.339137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.595120 (E_RNA)
where:
Base-Base interactions energy: -1892.189
where: short stacking energy: -800.662
Base-Backbone interact. energy: -3.130
local terms energy: -835.276377
where:
bonds (distance) C4'-P energy: -147.497
bonds (distance) P-C4' energy: -142.540
flat angles C4'-P-C4' energy: -169.912
flat angles P-C4'-P energy: -125.543
tors. eta vs tors. theta energy: -249.784
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2688.567451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.567451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.705430 (E_RNA)
where:
Base-Base interactions energy: -1883.197
where: short stacking energy: -811.795
Base-Backbone interact. energy: -2.410
local terms energy: -807.098547
where:
bonds (distance) C4'-P energy: -153.263
bonds (distance) P-C4' energy: -130.882
flat angles C4'-P-C4' energy: -158.706
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -253.682
Dist. restrs. and SS energy: 4.138 (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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2647.662047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.662047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.764451 (E_RNA)
where:
Base-Base interactions energy: -1875.746
where: short stacking energy: -776.739
Base-Backbone interact. energy: -3.049
local terms energy: -771.968895
where:
bonds (distance) C4'-P energy: -128.505
bonds (distance) P-C4' energy: -134.525
flat angles C4'-P-C4' energy: -167.368
flat angles P-C4'-P energy: -115.720
tors. eta vs tors. theta energy: -225.850
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: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2558.903911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.903911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.420269 (E_RNA)
where:
Base-Base interactions energy: -1802.639
where: short stacking energy: -750.942
Base-Backbone interact. energy: -4.429
local terms energy: -754.352618
where:
bonds (distance) C4'-P energy: -129.488
bonds (distance) P-C4' energy: -133.877
flat angles C4'-P-C4' energy: -166.271
flat angles P-C4'-P energy: -96.575
tors. eta vs tors. theta energy: -228.141
Dist. restrs. and SS energy: 2.516 (S_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: 422
Temperature: 1.100000
Total energy: -2447.748153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.748153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.474116 (E_RNA)
where:
Base-Base interactions energy: -1748.206
where: short stacking energy: -737.330
Base-Backbone interact. energy: -2.749
local terms energy: -699.519715
where:
bonds (distance) C4'-P energy: -130.048
bonds (distance) P-C4' energy: -119.706
flat angles C4'-P-C4' energy: -152.903
flat angles P-C4'-P energy: -93.580
tors. eta vs tors. theta energy: -203.283
Dist. restrs. and SS energy: 2.726 (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: 422
Temperature: 1.150000
Total energy: -2434.906066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.906066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.065444 (E_RNA)
where:
Base-Base interactions energy: -1719.095
where: short stacking energy: -717.086
Base-Backbone interact. energy: 4.199
local terms energy: -724.168682
where:
bonds (distance) C4'-P energy: -128.542
bonds (distance) P-C4' energy: -144.475
flat angles C4'-P-C4' energy: -145.338
flat angles P-C4'-P energy: -92.426
tors. eta vs tors. theta energy: -213.388
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2283.107445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.107445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.840651 (E_RNA)
where:
Base-Base interactions energy: -1642.564
where: short stacking energy: -667.695
Base-Backbone interact. energy: -2.930
local terms energy: -646.346448
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -114.474
flat angles C4'-P-C4' energy: -136.982
flat angles P-C4'-P energy: -91.347
tors. eta vs tors. theta energy: -189.009
Dist. restrs. and SS energy: 8.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2258.072627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.072627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.557344 (E_RNA)
where:
Base-Base interactions energy: -1572.306
where: short stacking energy: -677.824
Base-Backbone interact. energy: 0.673
local terms energy: -696.924481
where:
bonds (distance) C4'-P energy: -123.248
bonds (distance) P-C4' energy: -117.643
flat angles C4'-P-C4' energy: -146.385
flat angles P-C4'-P energy: -96.310
tors. eta vs tors. theta energy: -213.337
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: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -2121.663945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.663945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.453071 (E_RNA)
where:
Base-Base interactions energy: -1494.182
where: short stacking energy: -622.741
Base-Backbone interact. energy: -1.771
local terms energy: -635.500019
where:
bonds (distance) C4'-P energy: -106.097
bonds (distance) P-C4' energy: -125.608
flat angles C4'-P-C4' energy: -134.443
flat angles P-C4'-P energy: -92.177
tors. eta vs tors. theta energy: -177.175
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: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1937.871397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.871397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.187472 (E_RNA)
where:
Base-Base interactions energy: -1368.553
where: short stacking energy: -573.753
Base-Backbone interact. energy: -3.078
local terms energy: -595.556439
where:
bonds (distance) C4'-P energy: -106.310
bonds (distance) P-C4' energy: -104.480
flat angles C4'-P-C4' energy: -134.704
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -157.765
Dist. restrs. and SS energy: 29.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2709.987082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.987082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.265782 (E_RNA)
where:
Base-Base interactions energy: -1918.163
where: short stacking energy: -822.736
Base-Backbone interact. energy: -4.991
local terms energy: -791.111458
where:
bonds (distance) C4'-P energy: -133.842
bonds (distance) P-C4' energy: -144.809
flat angles C4'-P-C4' energy: -172.229
flat angles P-C4'-P energy: -102.052
tors. eta vs tors. theta energy: -238.180
Dist. restrs. and SS energy: 4.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2712.587315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.587315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.704448 (E_RNA)
where:
Base-Base interactions energy: -1889.405
where: short stacking energy: -788.512
Base-Backbone interact. energy: -2.941
local terms energy: -824.358629
where:
bonds (distance) C4'-P energy: -132.689
bonds (distance) P-C4' energy: -154.939
flat angles C4'-P-C4' energy: -173.610
flat angles P-C4'-P energy: -117.652
tors. eta vs tors. theta energy: -245.468
Dist. restrs. and SS energy: 4.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2646.262508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.262508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.870186 (E_RNA)
where:
Base-Base interactions energy: -1864.655
where: short stacking energy: -791.434
Base-Backbone interact. energy: -5.386
local terms energy: -779.829076
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -128.490
flat angles C4'-P-C4' energy: -168.282
flat angles P-C4'-P energy: -117.074
tors. eta vs tors. theta energy: -230.526
Dist. restrs. and SS energy: 3.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2563.938585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.829737 (E_RNA)
where:
Base-Base interactions energy: -1797.857
where: short stacking energy: -745.248
Base-Backbone interact. energy: -3.463
local terms energy: -765.509539
where:
bonds (distance) C4'-P energy: -132.324
bonds (distance) P-C4' energy: -132.554
flat angles C4'-P-C4' energy: -175.645
flat angles P-C4'-P energy: -111.625
tors. eta vs tors. theta energy: -213.361
Dist. restrs. and SS energy: 2.891 (S_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: 423
Temperature: 1.100000
Total energy: -2475.884445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.884445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.465363 (E_RNA)
where:
Base-Base interactions energy: -1758.708
where: short stacking energy: -710.913
Base-Backbone interact. energy: 1.002
local terms energy: -721.759844
where:
bonds (distance) C4'-P energy: -127.082
bonds (distance) P-C4' energy: -119.222
flat angles C4'-P-C4' energy: -140.367
flat angles P-C4'-P energy: -114.822
tors. eta vs tors. theta energy: -220.267
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2432.263281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.263281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.990812 (E_RNA)
where:
Base-Base interactions energy: -1717.835
where: short stacking energy: -732.679
Base-Backbone interact. energy: -0.172
local terms energy: -719.983828
where:
bonds (distance) C4'-P energy: -118.045
bonds (distance) P-C4' energy: -139.774
flat angles C4'-P-C4' energy: -139.810
flat angles P-C4'-P energy: -107.733
tors. eta vs tors. theta energy: -214.622
Dist. restrs. and SS energy: 5.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2278.705988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.705988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.908827 (E_RNA)
where:
Base-Base interactions energy: -1636.180
where: short stacking energy: -668.179
Base-Backbone interact. energy: -1.082
local terms energy: -647.646235
where:
bonds (distance) C4'-P energy: -109.100
bonds (distance) P-C4' energy: -121.029
flat angles C4'-P-C4' energy: -151.717
flat angles P-C4'-P energy: -89.462
tors. eta vs tors. theta energy: -176.338
Dist. restrs. and SS energy: 6.203 (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: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2244.045707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.045707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.399220 (E_RNA)
where:
Base-Base interactions energy: -1585.771
where: short stacking energy: -664.373
Base-Backbone interact. energy: 4.806
local terms energy: -669.434403
where:
bonds (distance) C4'-P energy: -128.801
bonds (distance) P-C4' energy: -100.159
flat angles C4'-P-C4' energy: -145.933
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -197.447
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -2119.594283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.594283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.768486 (E_RNA)
where:
Base-Base interactions energy: -1541.844
where: short stacking energy: -629.924
Base-Backbone interact. energy: -0.663
local terms energy: -588.261403
where:
bonds (distance) C4'-P energy: -108.920
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -133.172
flat angles P-C4'-P energy: -75.847
tors. eta vs tors. theta energy: -169.518
Dist. restrs. and SS energy: 11.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1939.202902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.202902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.318800 (E_RNA)
where:
Base-Base interactions energy: -1383.832
where: short stacking energy: -562.058
Base-Backbone interact. energy: 0.995
local terms energy: -581.481520
where:
bonds (distance) C4'-P energy: -93.095
bonds (distance) P-C4' energy: -119.146
flat angles C4'-P-C4' energy: -111.370
flat angles P-C4'-P energy: -87.177
tors. eta vs tors. theta energy: -170.694
Dist. restrs. and SS energy: 25.116 (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: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2777.717618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.717618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.825703 (E_RNA)
where:
Base-Base interactions energy: -1913.333
where: short stacking energy: -824.189
Base-Backbone interact. energy: 0.640
local terms energy: -868.131875
where:
bonds (distance) C4'-P energy: -162.555
bonds (distance) P-C4' energy: -168.250
flat angles C4'-P-C4' energy: -173.585
flat angles P-C4'-P energy: -115.987
tors. eta vs tors. theta energy: -247.755
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2684.949896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.949896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.573629 (E_RNA)
where:
Base-Base interactions energy: -1872.377
where: short stacking energy: -784.121
Base-Backbone interact. energy: -4.052
local terms energy: -812.144118
where:
bonds (distance) C4'-P energy: -138.322
bonds (distance) P-C4' energy: -142.132
flat angles C4'-P-C4' energy: -175.997
flat angles P-C4'-P energy: -114.153
tors. eta vs tors. theta energy: -241.540
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: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2647.155995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.155995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.804802 (E_RNA)
where:
Base-Base interactions energy: -1881.705
where: short stacking energy: -789.620
Base-Backbone interact. energy: -4.127
local terms energy: -763.972594
where:
bonds (distance) C4'-P energy: -146.852
bonds (distance) P-C4' energy: -135.834
flat angles C4'-P-C4' energy: -155.581
flat angles P-C4'-P energy: -102.407
tors. eta vs tors. theta energy: -223.298
Dist. restrs. and SS energy: 2.649 (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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2534.068689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.068689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.540502 (E_RNA)
where:
Base-Base interactions energy: -1775.665
where: short stacking energy: -740.767
Base-Backbone interact. energy: -2.545
local terms energy: -762.330579
where:
bonds (distance) C4'-P energy: -130.913
bonds (distance) P-C4' energy: -135.033
flat angles C4'-P-C4' energy: -160.575
flat angles P-C4'-P energy: -110.626
tors. eta vs tors. theta energy: -225.185
Dist. restrs. and SS energy: 6.472 (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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2460.415164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.415164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.725824 (E_RNA)
where:
Base-Base interactions energy: -1755.487
where: short stacking energy: -716.145
Base-Backbone interact. energy: -0.756
local terms energy: -708.483121
where:
bonds (distance) C4'-P energy: -133.327
bonds (distance) P-C4' energy: -116.179
flat angles C4'-P-C4' energy: -151.324
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -211.800
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: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2400.700779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.700779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.520478 (E_RNA)
where:
Base-Base interactions energy: -1672.141
where: short stacking energy: -686.607
Base-Backbone interact. energy: -3.442
local terms energy: -727.937022
where:
bonds (distance) C4'-P energy: -136.411
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -153.796
flat angles P-C4'-P energy: -115.549
tors. eta vs tors. theta energy: -204.625
Dist. restrs. and SS energy: 2.820 (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: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2312.376192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.376192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.710417 (E_RNA)
where:
Base-Base interactions energy: -1629.145
where: short stacking energy: -675.047
Base-Backbone interact. energy: -2.883
local terms energy: -686.682347
where:
bonds (distance) C4'-P energy: -131.243
bonds (distance) P-C4' energy: -116.780
flat angles C4'-P-C4' energy: -147.264
flat angles P-C4'-P energy: -95.971
tors. eta vs tors. theta energy: -195.425
Dist. restrs. and SS energy: 6.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2244.817588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.817588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.070425 (E_RNA)
where:
Base-Base interactions energy: -1599.050
where: short stacking energy: -652.388
Base-Backbone interact. energy: -1.383
local terms energy: -649.636480
where:
bonds (distance) C4'-P energy: -103.223
bonds (distance) P-C4' energy: -119.525
flat angles C4'-P-C4' energy: -147.723
flat angles P-C4'-P energy: -96.714
tors. eta vs tors. theta energy: -182.452
Dist. restrs. and SS energy: 5.253 (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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -2109.446605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.446605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.518867 (E_RNA)
where:
Base-Base interactions energy: -1505.581
where: short stacking energy: -647.174
Base-Backbone interact. energy: -5.097
local terms energy: -609.840546
where:
bonds (distance) C4'-P energy: -107.634
bonds (distance) P-C4' energy: -91.371
flat angles C4'-P-C4' energy: -145.945
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -179.413
Dist. restrs. and SS energy: 11.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1919.344835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.344835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.637510 (E_RNA)
where:
Base-Base interactions energy: -1363.282
where: short stacking energy: -562.868
Base-Backbone interact. energy: -0.899
local terms energy: -584.456585
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -107.710
flat angles C4'-P-C4' energy: -130.430
flat angles P-C4'-P energy: -89.001
tors. eta vs tors. theta energy: -154.248
Dist. restrs. and SS energy: 29.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2787.575773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.575773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.740243 (E_RNA)
where:
Base-Base interactions energy: -1943.165
where: short stacking energy: -837.726
Base-Backbone interact. energy: -2.733
local terms energy: -844.842427
where:
bonds (distance) C4'-P energy: -134.366
bonds (distance) P-C4' energy: -156.474
flat angles C4'-P-C4' energy: -178.451
flat angles P-C4'-P energy: -119.766
tors. eta vs tors. theta energy: -255.785
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2694.900241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.900241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.265620 (E_RNA)
where:
Base-Base interactions energy: -1902.988
where: short stacking energy: -807.612
Base-Backbone interact. energy: -0.630
local terms energy: -795.647455
where:
bonds (distance) C4'-P energy: -128.023
bonds (distance) P-C4' energy: -144.397
flat angles C4'-P-C4' energy: -176.667
flat angles P-C4'-P energy: -108.506
tors. eta vs tors. theta energy: -238.053
Dist. restrs. and SS energy: 4.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2613.584706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.584706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.258311 (E_RNA)
where:
Base-Base interactions energy: -1822.723
where: short stacking energy: -801.615
Base-Backbone interact. energy: -3.716
local terms energy: -790.819664
where:
bonds (distance) C4'-P energy: -136.047
bonds (distance) P-C4' energy: -149.497
flat angles C4'-P-C4' energy: -156.676
flat angles P-C4'-P energy: -106.224
tors. eta vs tors. theta energy: -242.375
Dist. restrs. and SS energy: 3.674 (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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2547.957621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.957621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.830770 (E_RNA)
where:
Base-Base interactions energy: -1778.181
where: short stacking energy: -739.855
Base-Backbone interact. energy: -3.127
local terms energy: -769.522529
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -145.390
flat angles C4'-P-C4' energy: -167.146
flat angles P-C4'-P energy: -104.703
tors. eta vs tors. theta energy: -219.458
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2469.329042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.329042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.901143 (E_RNA)
where:
Base-Base interactions energy: -1746.142
where: short stacking energy: -734.098
Base-Backbone interact. energy: -0.066
local terms energy: -725.693321
where:
bonds (distance) C4'-P energy: -105.995
bonds (distance) P-C4' energy: -136.505
flat angles C4'-P-C4' energy: -165.447
flat angles P-C4'-P energy: -100.884
tors. eta vs tors. theta energy: -216.862
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2410.778018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.778018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.690439 (E_RNA)
where:
Base-Base interactions energy: -1675.943
where: short stacking energy: -711.668
Base-Backbone interact. energy: -0.168
local terms energy: -739.579239
where:
bonds (distance) C4'-P energy: -145.112
bonds (distance) P-C4' energy: -117.784
flat angles C4'-P-C4' energy: -140.479
flat angles P-C4'-P energy: -123.277
tors. eta vs tors. theta energy: -212.928
Dist. restrs. and SS energy: 4.912 (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: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2306.313955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.313955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.077888 (E_RNA)
where:
Base-Base interactions energy: -1638.915
where: short stacking energy: -669.185
Base-Backbone interact. energy: -2.167
local terms energy: -671.995313
where:
bonds (distance) C4'-P energy: -127.637
bonds (distance) P-C4' energy: -116.912
flat angles C4'-P-C4' energy: -127.376
flat angles P-C4'-P energy: -102.384
tors. eta vs tors. theta energy: -197.686
Dist. restrs. and SS energy: 6.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2258.187482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.187482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.299174 (E_RNA)
where:
Base-Base interactions energy: -1590.995
where: short stacking energy: -690.655
Base-Backbone interact. energy: -2.736
local terms energy: -672.567639
where:
bonds (distance) C4'-P energy: -109.659
bonds (distance) P-C4' energy: -124.738
flat angles C4'-P-C4' energy: -151.821
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -210.769
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -2078.821895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.821895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.302282 (E_RNA)
where:
Base-Base interactions energy: -1472.727
where: short stacking energy: -623.503
Base-Backbone interact. energy: 0.223
local terms energy: -619.798334
where:
bonds (distance) C4'-P energy: -111.854
bonds (distance) P-C4' energy: -110.895
flat angles C4'-P-C4' energy: -138.271
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -174.352
Dist. restrs. and SS energy: 13.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1921.976108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.976108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.933652 (E_RNA)
where:
Base-Base interactions energy: -1349.650
where: short stacking energy: -552.886
Base-Backbone interact. energy: -2.724
local terms energy: -600.558974
where:
bonds (distance) C4'-P energy: -126.520
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -126.622
flat angles P-C4'-P energy: -83.225
tors. eta vs tors. theta energy: -153.431
Dist. restrs. and SS energy: 30.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2801.991509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.991509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.789819 (E_RNA)
where:
Base-Base interactions energy: -1940.600
where: short stacking energy: -833.663
Base-Backbone interact. energy: -2.003
local terms energy: -862.186764
where:
bonds (distance) C4'-P energy: -159.340
bonds (distance) P-C4' energy: -137.496
flat angles C4'-P-C4' energy: -184.185
flat angles P-C4'-P energy: -123.731
tors. eta vs tors. theta energy: -257.435
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2707.536251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.536251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.120604 (E_RNA)
where:
Base-Base interactions energy: -1916.815
where: short stacking energy: -802.543
Base-Backbone interact. energy: -0.284
local terms energy: -796.021586
where:
bonds (distance) C4'-P energy: -131.761
bonds (distance) P-C4' energy: -148.978
flat angles C4'-P-C4' energy: -154.717
flat angles P-C4'-P energy: -119.348
tors. eta vs tors. theta energy: -241.217
Dist. restrs. and SS energy: 5.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2625.139618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.139618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.273477 (E_RNA)
where:
Base-Base interactions energy: -1853.172
where: short stacking energy: -803.882
Base-Backbone interact. energy: -1.263
local terms energy: -775.839053
where:
bonds (distance) C4'-P energy: -124.548
bonds (distance) P-C4' energy: -129.071
flat angles C4'-P-C4' energy: -165.421
flat angles P-C4'-P energy: -108.700
tors. eta vs tors. theta energy: -248.098
Dist. restrs. and SS energy: 5.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2558.139990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.139990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.477662 (E_RNA)
where:
Base-Base interactions energy: -1830.263
where: short stacking energy: -753.046
Base-Backbone interact. energy: -3.317
local terms energy: -729.897332
where:
bonds (distance) C4'-P energy: -134.986
bonds (distance) P-C4' energy: -129.303
flat angles C4'-P-C4' energy: -153.402
flat angles P-C4'-P energy: -93.386
tors. eta vs tors. theta energy: -218.821
Dist. restrs. and SS energy: 5.338 (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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2456.296774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.296774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.479058 (E_RNA)
where:
Base-Base interactions energy: -1740.271
where: short stacking energy: -730.638
Base-Backbone interact. energy: 0.690
local terms energy: -719.897997
where:
bonds (distance) C4'-P energy: -123.109
bonds (distance) P-C4' energy: -107.814
flat angles C4'-P-C4' energy: -161.813
flat angles P-C4'-P energy: -110.544
tors. eta vs tors. theta energy: -216.619
Dist. restrs. and SS energy: 3.182 (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: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2421.271124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.271124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.735084 (E_RNA)
where:
Base-Base interactions energy: -1727.122
where: short stacking energy: -725.691
Base-Backbone interact. energy: -4.087
local terms energy: -693.525926
where:
bonds (distance) C4'-P energy: -103.697
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -150.467
flat angles P-C4'-P energy: -99.604
tors. eta vs tors. theta energy: -215.037
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2313.051774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.051774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.425921 (E_RNA)
where:
Base-Base interactions energy: -1635.700
where: short stacking energy: -663.629
Base-Backbone interact. energy: 1.177
local terms energy: -683.903302
where:
bonds (distance) C4'-P energy: -126.303
bonds (distance) P-C4' energy: -102.545
flat angles C4'-P-C4' energy: -152.767
flat angles P-C4'-P energy: -101.604
tors. eta vs tors. theta energy: -200.683
Dist. restrs. and SS energy: 5.374 (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: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2233.312733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.312733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.507982 (E_RNA)
where:
Base-Base interactions energy: -1563.652
where: short stacking energy: -634.207
Base-Backbone interact. energy: 1.454
local terms energy: -679.310224
where:
bonds (distance) C4'-P energy: -124.752
bonds (distance) P-C4' energy: -129.289
flat angles C4'-P-C4' energy: -127.294
flat angles P-C4'-P energy: -92.058
tors. eta vs tors. theta energy: -205.916
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -2107.514531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.514531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.342084 (E_RNA)
where:
Base-Base interactions energy: -1501.868
where: short stacking energy: -657.002
Base-Backbone interact. energy: -2.432
local terms energy: -612.041819
where:
bonds (distance) C4'-P energy: -104.630
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -78.501
tors. eta vs tors. theta energy: -186.379
Dist. restrs. and SS energy: 8.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1916.927977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.927977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.363301 (E_RNA)
where:
Base-Base interactions energy: -1377.938
where: short stacking energy: -575.515
Base-Backbone interact. energy: -1.667
local terms energy: -564.757672
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -112.562
flat angles C4'-P-C4' energy: -144.052
flat angles P-C4'-P energy: -73.113
tors. eta vs tors. theta energy: -142.719
Dist. restrs. and SS energy: 27.435 (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: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2795.563722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.563722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.558982 (E_RNA)
where:
Base-Base interactions energy: -1952.006
where: short stacking energy: -848.673
Base-Backbone interact. energy: 1.119
local terms energy: -848.672222
where:
bonds (distance) C4'-P energy: -150.081
bonds (distance) P-C4' energy: -142.184
flat angles C4'-P-C4' energy: -172.643
flat angles P-C4'-P energy: -128.939
tors. eta vs tors. theta energy: -254.826
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: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2693.307528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.307528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.231691 (E_RNA)
where:
Base-Base interactions energy: -1898.349
where: short stacking energy: -810.426
Base-Backbone interact. energy: -2.722
local terms energy: -796.160691
where:
bonds (distance) C4'-P energy: -123.154
bonds (distance) P-C4' energy: -144.449
flat angles C4'-P-C4' energy: -172.700
flat angles P-C4'-P energy: -121.925
tors. eta vs tors. theta energy: -233.932
Dist. restrs. and SS energy: 3.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2632.909668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.909668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.102340 (E_RNA)
where:
Base-Base interactions energy: -1845.567
where: short stacking energy: -794.438
Base-Backbone interact. energy: -4.711
local terms energy: -787.823965
where:
bonds (distance) C4'-P energy: -142.092
bonds (distance) P-C4' energy: -140.386
flat angles C4'-P-C4' energy: -158.129
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -237.832
Dist. restrs. and SS energy: 5.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2498.069539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.069539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.708964 (E_RNA)
where:
Base-Base interactions energy: -1770.718
where: short stacking energy: -742.443
Base-Backbone interact. energy: -3.859
local terms energy: -730.132242
where:
bonds (distance) C4'-P energy: -132.316
bonds (distance) P-C4' energy: -123.833
flat angles C4'-P-C4' energy: -152.336
flat angles P-C4'-P energy: -104.580
tors. eta vs tors. theta energy: -217.068
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: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2454.768791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.768791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.019917 (E_RNA)
where:
Base-Base interactions energy: -1712.997
where: short stacking energy: -727.138
Base-Backbone interact. energy: -2.425
local terms energy: -742.598600
where:
bonds (distance) C4'-P energy: -124.919
bonds (distance) P-C4' energy: -130.057
flat angles C4'-P-C4' energy: -162.619
flat angles P-C4'-P energy: -102.701
tors. eta vs tors. theta energy: -222.302
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2445.960423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.960423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.167453 (E_RNA)
where:
Base-Base interactions energy: -1735.487
where: short stacking energy: -739.192
Base-Backbone interact. energy: -2.084
local terms energy: -713.597156
where:
bonds (distance) C4'-P energy: -121.974
bonds (distance) P-C4' energy: -130.295
flat angles C4'-P-C4' energy: -152.934
flat angles P-C4'-P energy: -105.918
tors. eta vs tors. theta energy: -202.475
Dist. restrs. and SS energy: 5.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2303.615447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.615447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.560402 (E_RNA)
where:
Base-Base interactions energy: -1632.986
where: short stacking energy: -671.558
Base-Backbone interact. energy: -1.414
local terms energy: -674.159688
where:
bonds (distance) C4'-P energy: -125.317
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -139.825
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -205.256
Dist. restrs. and SS energy: 4.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2232.938993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.938993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.174968 (E_RNA)
where:
Base-Base interactions energy: -1588.189
where: short stacking energy: -657.222
Base-Backbone interact. energy: -1.750
local terms energy: -649.236286
where:
bonds (distance) C4'-P energy: -103.124
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -133.781
flat angles P-C4'-P energy: -92.798
tors. eta vs tors. theta energy: -195.226
Dist. restrs. and SS energy: 6.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2047.697945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.697945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.265339 (E_RNA)
where:
Base-Base interactions energy: -1470.673
where: short stacking energy: -617.650
Base-Backbone interact. energy: -5.191
local terms energy: -583.400422
where:
bonds (distance) C4'-P energy: -98.972
bonds (distance) P-C4' energy: -87.615
flat angles C4'-P-C4' energy: -150.963
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: -162.021
Dist. restrs. and SS energy: 11.567 (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: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1899.087621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.087621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.812201 (E_RNA)
where:
Base-Base interactions energy: -1386.988
where: short stacking energy: -569.388
Base-Backbone interact. energy: 1.343
local terms energy: -536.167519
where:
bonds (distance) C4'-P energy: -82.994
bonds (distance) P-C4' energy: -109.483
flat angles C4'-P-C4' energy: -124.206
flat angles P-C4'-P energy: -61.132
tors. eta vs tors. theta energy: -158.354
Dist. restrs. and SS energy: 22.725 (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: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2782.297254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.297254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.400133 (E_RNA)
where:
Base-Base interactions energy: -1927.639
where: short stacking energy: -833.187
Base-Backbone interact. energy: 3.610
local terms energy: -861.371166
where:
bonds (distance) C4'-P energy: -148.256
bonds (distance) P-C4' energy: -160.907
flat angles C4'-P-C4' energy: -180.576
flat angles P-C4'-P energy: -118.272
tors. eta vs tors. theta energy: -253.360
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2707.037397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.037397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.475809 (E_RNA)
where:
Base-Base interactions energy: -1896.763
where: short stacking energy: -789.363
Base-Backbone interact. energy: -2.005
local terms energy: -811.707988
where:
bonds (distance) C4'-P energy: -148.211
bonds (distance) P-C4' energy: -149.923
flat angles C4'-P-C4' energy: -170.216
flat angles P-C4'-P energy: -100.336
tors. eta vs tors. theta energy: -243.022
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: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2586.049875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.049875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.749410 (E_RNA)
where:
Base-Base interactions energy: -1802.767
where: short stacking energy: -768.787
Base-Backbone interact. energy: -0.697
local terms energy: -789.286100
where:
bonds (distance) C4'-P energy: -137.685
bonds (distance) P-C4' energy: -140.415
flat angles C4'-P-C4' energy: -163.973
flat angles P-C4'-P energy: -115.753
tors. eta vs tors. theta energy: -231.461
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: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2515.799039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.799039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.254428 (E_RNA)
where:
Base-Base interactions energy: -1751.672
where: short stacking energy: -711.754
Base-Backbone interact. energy: -5.252
local terms energy: -761.330912
where:
bonds (distance) C4'-P energy: -128.021
bonds (distance) P-C4' energy: -143.501
flat angles C4'-P-C4' energy: -167.437
flat angles P-C4'-P energy: -107.574
tors. eta vs tors. theta energy: -214.798
Dist. restrs. and SS energy: 2.455 (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: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2449.965167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.965167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.695610 (E_RNA)
where:
Base-Base interactions energy: -1702.727
where: short stacking energy: -719.230
Base-Backbone interact. energy: 2.350
local terms energy: -753.319467
where:
bonds (distance) C4'-P energy: -130.638
bonds (distance) P-C4' energy: -130.982
flat angles C4'-P-C4' energy: -162.394
flat angles P-C4'-P energy: -103.312
tors. eta vs tors. theta energy: -225.994
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: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2435.351757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.351757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.786876 (E_RNA)
where:
Base-Base interactions energy: -1750.887
where: short stacking energy: -714.417
Base-Backbone interact. energy: -0.428
local terms energy: -687.471639
where:
bonds (distance) C4'-P energy: -86.982
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -160.292
flat angles P-C4'-P energy: -103.779
tors. eta vs tors. theta energy: -209.096
Dist. restrs. and SS energy: 3.435 (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: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2319.060176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.060176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.001965 (E_RNA)
where:
Base-Base interactions energy: -1647.660
where: short stacking energy: -706.659
Base-Backbone interact. energy: -2.419
local terms energy: -676.922600
where:
bonds (distance) C4'-P energy: -122.990
bonds (distance) P-C4' energy: -125.467
flat angles C4'-P-C4' energy: -133.087
flat angles P-C4'-P energy: -85.153
tors. eta vs tors. theta energy: -210.225
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: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2218.523065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.523065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.532493 (E_RNA)
where:
Base-Base interactions energy: -1539.000
where: short stacking energy: -608.934
Base-Backbone interact. energy: -1.962
local terms energy: -685.570883
where:
bonds (distance) C4'-P energy: -124.094
bonds (distance) P-C4' energy: -127.510
flat angles C4'-P-C4' energy: -130.428
flat angles P-C4'-P energy: -112.968
tors. eta vs tors. theta energy: -190.571
Dist. restrs. and SS energy: 8.009 (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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -2123.754557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.754557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.801768 (E_RNA)
where:
Base-Base interactions energy: -1484.479
where: short stacking energy: -607.271
Base-Backbone interact. energy: 0.601
local terms energy: -645.923496
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -124.750
flat angles C4'-P-C4' energy: -151.829
flat angles P-C4'-P energy: -93.816
tors. eta vs tors. theta energy: -177.111
Dist. restrs. and SS energy: 6.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1837.592054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.592054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.451414 (E_RNA)
where:
Base-Base interactions energy: -1298.797
where: short stacking energy: -526.315
Base-Backbone interact. energy: 1.295
local terms energy: -562.950191
where:
bonds (distance) C4'-P energy: -115.469
bonds (distance) P-C4' energy: -99.398
flat angles C4'-P-C4' energy: -124.707
flat angles P-C4'-P energy: -79.210
tors. eta vs tors. theta energy: -144.166
Dist. restrs. and SS energy: 22.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2783.029097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.029097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.102510 (E_RNA)
where:
Base-Base interactions energy: -1963.843
where: short stacking energy: -854.751
Base-Backbone interact. energy: -4.552
local terms energy: -818.707105
where:
bonds (distance) C4'-P energy: -141.319
bonds (distance) P-C4' energy: -141.947
flat angles C4'-P-C4' energy: -165.273
flat angles P-C4'-P energy: -113.196
tors. eta vs tors. theta energy: -256.972
Dist. restrs. and SS energy: 4.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2716.770554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.770554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.988266 (E_RNA)
where:
Base-Base interactions energy: -1934.209
where: short stacking energy: -818.615
Base-Backbone interact. energy: -3.106
local terms energy: -782.673360
where:
bonds (distance) C4'-P energy: -130.672
bonds (distance) P-C4' energy: -137.419
flat angles C4'-P-C4' energy: -174.915
flat angles P-C4'-P energy: -107.294
tors. eta vs tors. theta energy: -232.373
Dist. restrs. and SS energy: 3.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2630.575353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.575353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.093893 (E_RNA)
where:
Base-Base interactions energy: -1849.145
where: short stacking energy: -788.879
Base-Backbone interact. energy: -3.982
local terms energy: -780.966674
where:
bonds (distance) C4'-P energy: -128.301
bonds (distance) P-C4' energy: -147.333
flat angles C4'-P-C4' energy: -169.315
flat angles P-C4'-P energy: -104.315
tors. eta vs tors. theta energy: -231.703
Dist. restrs. and SS energy: 3.519 (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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2527.841729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.841729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.711367 (E_RNA)
where:
Base-Base interactions energy: -1791.224
where: short stacking energy: -755.363
Base-Backbone interact. energy: -1.636
local terms energy: -739.851207
where:
bonds (distance) C4'-P energy: -124.028
bonds (distance) P-C4' energy: -134.918
flat angles C4'-P-C4' energy: -154.059
flat angles P-C4'-P energy: -108.694
tors. eta vs tors. theta energy: -218.151
Dist. restrs. and SS energy: 4.870 (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: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2392.498144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.498144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.025279 (E_RNA)
where:
Base-Base interactions energy: -1691.872
where: short stacking energy: -707.313
Base-Backbone interact. energy: 2.207
local terms energy: -707.359804
where:
bonds (distance) C4'-P energy: -137.766
bonds (distance) P-C4' energy: -121.355
flat angles C4'-P-C4' energy: -151.069
flat angles P-C4'-P energy: -89.919
tors. eta vs tors. theta energy: -207.250
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2394.831363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.641504 (E_RNA)
where:
Base-Base interactions energy: -1679.524
where: short stacking energy: -697.231
Base-Backbone interact. energy: -2.073
local terms energy: -718.045055
where:
bonds (distance) C4'-P energy: -110.851
bonds (distance) P-C4' energy: -116.772
flat angles C4'-P-C4' energy: -172.303
flat angles P-C4'-P energy: -113.612
tors. eta vs tors. theta energy: -204.507
Dist. restrs. and SS energy: 4.810 (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: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2284.115152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.115152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.558878 (E_RNA)
where:
Base-Base interactions energy: -1617.730
where: short stacking energy: -676.233
Base-Backbone interact. energy: 8.043
local terms energy: -680.871757
where:
bonds (distance) C4'-P energy: -97.957
bonds (distance) P-C4' energy: -125.700
flat angles C4'-P-C4' energy: -152.479
flat angles P-C4'-P energy: -100.700
tors. eta vs tors. theta energy: -204.036
Dist. restrs. and SS energy: 6.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2236.888464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.888464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.731046 (E_RNA)
where:
Base-Base interactions energy: -1578.228
where: short stacking energy: -655.535
Base-Backbone interact. energy: 2.342
local terms energy: -669.845861
where:
bonds (distance) C4'-P energy: -123.028
bonds (distance) P-C4' energy: -118.882
flat angles C4'-P-C4' energy: -148.094
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -189.588
Dist. restrs. and SS energy: 8.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -2109.305356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.305356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.819146 (E_RNA)
where:
Base-Base interactions energy: -1494.099
where: short stacking energy: -608.263
Base-Backbone interact. energy: 1.303
local terms energy: -621.022531
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -108.270
flat angles C4'-P-C4' energy: -135.866
flat angles P-C4'-P energy: -93.307
tors. eta vs tors. theta energy: -179.608
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: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1880.826451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.826451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.761544 (E_RNA)
where:
Base-Base interactions energy: -1333.590
where: short stacking energy: -536.849
Base-Backbone interact. energy: -2.984
local terms energy: -563.187385
where:
bonds (distance) C4'-P energy: -100.627
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -141.492
flat angles P-C4'-P energy: -73.025
tors. eta vs tors. theta energy: -142.201
Dist. restrs. and SS energy: 18.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2786.626315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.626315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.376307 (E_RNA)
where:
Base-Base interactions energy: -1936.261
where: short stacking energy: -840.609
Base-Backbone interact. energy: -1.111
local terms energy: -852.004216
where:
bonds (distance) C4'-P energy: -150.119
bonds (distance) P-C4' energy: -147.680
flat angles C4'-P-C4' energy: -174.322
flat angles P-C4'-P energy: -120.383
tors. eta vs tors. theta energy: -259.501
Dist. restrs. and SS energy: 2.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2690.788548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.788548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.554695 (E_RNA)
where:
Base-Base interactions energy: -1897.121
where: short stacking energy: -791.122
Base-Backbone interact. energy: -2.501
local terms energy: -794.932529
where:
bonds (distance) C4'-P energy: -139.736
bonds (distance) P-C4' energy: -139.816
flat angles C4'-P-C4' energy: -168.768
flat angles P-C4'-P energy: -115.184
tors. eta vs tors. theta energy: -231.429
Dist. restrs. and SS energy: 3.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2611.272819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.533593 (E_RNA)
where:
Base-Base interactions energy: -1857.456
where: short stacking energy: -785.519
Base-Backbone interact. energy: -3.796
local terms energy: -753.282226
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -136.403
flat angles C4'-P-C4' energy: -159.775
flat angles P-C4'-P energy: -107.399
tors. eta vs tors. theta energy: -226.617
Dist. restrs. and SS energy: 3.261 (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: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2520.858722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.858722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.720805 (E_RNA)
where:
Base-Base interactions energy: -1774.084
where: short stacking energy: -728.307
Base-Backbone interact. energy: -4.086
local terms energy: -748.550434
where:
bonds (distance) C4'-P energy: -131.108
bonds (distance) P-C4' energy: -142.852
flat angles C4'-P-C4' energy: -146.625
flat angles P-C4'-P energy: -108.841
tors. eta vs tors. theta energy: -219.125
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2462.413781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.413781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.620858 (E_RNA)
where:
Base-Base interactions energy: -1733.230
where: short stacking energy: -731.112
Base-Backbone interact. energy: 0.096
local terms energy: -735.487197
where:
bonds (distance) C4'-P energy: -122.883
bonds (distance) P-C4' energy: -133.544
flat angles C4'-P-C4' energy: -171.239
flat angles P-C4'-P energy: -96.804
tors. eta vs tors. theta energy: -211.017
Dist. restrs. and SS energy: 6.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2413.855653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.855653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.256898 (E_RNA)
where:
Base-Base interactions energy: -1728.269
where: short stacking energy: -710.757
Base-Backbone interact. energy: -2.002
local terms energy: -690.985247
where:
bonds (distance) C4'-P energy: -117.698
bonds (distance) P-C4' energy: -110.707
flat angles C4'-P-C4' energy: -151.844
flat angles P-C4'-P energy: -107.933
tors. eta vs tors. theta energy: -202.803
Dist. restrs. and SS energy: 7.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2311.780547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.780547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.585238 (E_RNA)
where:
Base-Base interactions energy: -1599.506
where: short stacking energy: -660.732
Base-Backbone interact. energy: -3.937
local terms energy: -716.141610
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -129.942
flat angles C4'-P-C4' energy: -155.020
flat angles P-C4'-P energy: -99.288
tors. eta vs tors. theta energy: -216.867
Dist. restrs. and SS energy: 7.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2255.207967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.207967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.185036 (E_RNA)
where:
Base-Base interactions energy: -1617.826
where: short stacking energy: -690.049
Base-Backbone interact. energy: 0.457
local terms energy: -646.816222
where:
bonds (distance) C4'-P energy: -107.739
bonds (distance) P-C4' energy: -100.457
flat angles C4'-P-C4' energy: -144.013
flat angles P-C4'-P energy: -86.250
tors. eta vs tors. theta energy: -208.357
Dist. restrs. and SS energy: 8.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -2130.999592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.999592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.850431 (E_RNA)
where:
Base-Base interactions energy: -1496.550
where: short stacking energy: -611.769
Base-Backbone interact. energy: -3.998
local terms energy: -640.302255
where:
bonds (distance) C4'-P energy: -102.884
bonds (distance) P-C4' energy: -122.163
flat angles C4'-P-C4' energy: -142.802
flat angles P-C4'-P energy: -93.064
tors. eta vs tors. theta energy: -179.390
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: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1914.594469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.594469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.918689 (E_RNA)
where:
Base-Base interactions energy: -1378.314
where: short stacking energy: -564.745
Base-Backbone interact. energy: 7.860
local terms energy: -576.464278
where:
bonds (distance) C4'-P energy: -101.443
bonds (distance) P-C4' energy: -119.564
flat angles C4'-P-C4' energy: -129.028
flat angles P-C4'-P energy: -77.834
tors. eta vs tors. theta energy: -148.596
Dist. restrs. and SS energy: 32.324 (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: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2797.033306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.033306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.530626 (E_RNA)
where:
Base-Base interactions energy: -1945.402
where: short stacking energy: -839.074
Base-Backbone interact. energy: -2.869
local terms energy: -851.258945
where:
bonds (distance) C4'-P energy: -148.729
bonds (distance) P-C4' energy: -149.004
flat angles C4'-P-C4' energy: -171.843
flat angles P-C4'-P energy: -123.042
tors. eta vs tors. theta energy: -258.640
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2680.210100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.210100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.544700 (E_RNA)
where:
Base-Base interactions energy: -1905.899
where: short stacking energy: -804.523
Base-Backbone interact. energy: 0.050
local terms energy: -776.695314
where:
bonds (distance) C4'-P energy: -133.182
bonds (distance) P-C4' energy: -156.938
flat angles C4'-P-C4' energy: -160.149
flat angles P-C4'-P energy: -101.368
tors. eta vs tors. theta energy: -225.059
Dist. restrs. and SS energy: 2.335 (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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2620.791046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.791046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.287477 (E_RNA)
where:
Base-Base interactions energy: -1830.113
where: short stacking energy: -769.698
Base-Backbone interact. energy: -3.413
local terms energy: -792.761804
where:
bonds (distance) C4'-P energy: -145.195
bonds (distance) P-C4' energy: -121.650
flat angles C4'-P-C4' energy: -176.740
flat angles P-C4'-P energy: -108.199
tors. eta vs tors. theta energy: -240.978
Dist. restrs. and SS energy: 5.496 (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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2512.589672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.589672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.982348 (E_RNA)
where:
Base-Base interactions energy: -1785.326
where: short stacking energy: -747.169
Base-Backbone interact. energy: -4.579
local terms energy: -728.077372
where:
bonds (distance) C4'-P energy: -124.969
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -156.914
flat angles P-C4'-P energy: -93.602
tors. eta vs tors. theta energy: -219.282
Dist. restrs. and SS energy: 5.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2449.374819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.374819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.024054 (E_RNA)
where:
Base-Base interactions energy: -1724.298
where: short stacking energy: -715.332
Base-Backbone interact. energy: -0.069
local terms energy: -729.657404
where:
bonds (distance) C4'-P energy: -137.865
bonds (distance) P-C4' energy: -127.318
flat angles C4'-P-C4' energy: -156.759
flat angles P-C4'-P energy: -99.604
tors. eta vs tors. theta energy: -208.110
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2442.372963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.372963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.590651 (E_RNA)
where:
Base-Base interactions energy: -1714.264
where: short stacking energy: -718.396
Base-Backbone interact. energy: -0.466
local terms energy: -731.860772
where:
bonds (distance) C4'-P energy: -130.643
bonds (distance) P-C4' energy: -144.211
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -100.207
tors. eta vs tors. theta energy: -205.092
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: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2319.758975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.758975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.381078 (E_RNA)
where:
Base-Base interactions energy: -1617.964
where: short stacking energy: -684.268
Base-Backbone interact. energy: -2.565
local terms energy: -704.851233
where:
bonds (distance) C4'-P energy: -119.870
bonds (distance) P-C4' energy: -130.743
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -103.761
tors. eta vs tors. theta energy: -202.232
Dist. restrs. and SS energy: 5.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2195.930158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.486130 (E_RNA)
where:
Base-Base interactions energy: -1541.058
where: short stacking energy: -641.762
Base-Backbone interact. energy: 1.836
local terms energy: -670.264785
where:
bonds (distance) C4'-P energy: -131.867
bonds (distance) P-C4' energy: -119.576
flat angles C4'-P-C4' energy: -144.103
flat angles P-C4'-P energy: -78.528
tors. eta vs tors. theta energy: -196.191
Dist. restrs. and SS energy: 13.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -2186.021410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.021410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.473094 (E_RNA)
where:
Base-Base interactions energy: -1561.719
where: short stacking energy: -664.673
Base-Backbone interact. energy: -0.125
local terms energy: -629.628670
where:
bonds (distance) C4'-P energy: -110.922
bonds (distance) P-C4' energy: -101.018
flat angles C4'-P-C4' energy: -132.457
flat angles P-C4'-P energy: -92.764
tors. eta vs tors. theta energy: -192.468
Dist. restrs. and SS energy: 5.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1891.331445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.573233 (E_RNA)
where:
Base-Base interactions energy: -1370.224
where: short stacking energy: -564.935
Base-Backbone interact. energy: -1.582
local terms energy: -540.767472
where:
bonds (distance) C4'-P energy: -89.539
bonds (distance) P-C4' energy: -101.129
flat angles C4'-P-C4' energy: -126.052
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: -153.704
Dist. restrs. and SS energy: 21.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2787.221693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.221693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.346647 (E_RNA)
where:
Base-Base interactions energy: -1931.414
where: short stacking energy: -826.626
Base-Backbone interact. energy: -3.282
local terms energy: -855.650609
where:
bonds (distance) C4'-P energy: -147.438
bonds (distance) P-C4' energy: -156.199
flat angles C4'-P-C4' energy: -175.062
flat angles P-C4'-P energy: -121.243
tors. eta vs tors. theta energy: -255.709
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2686.852019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.852019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.289991 (E_RNA)
where:
Base-Base interactions energy: -1886.064
where: short stacking energy: -797.994
Base-Backbone interact. energy: -2.691
local terms energy: -802.534960
where:
bonds (distance) C4'-P energy: -139.952
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -161.605
flat angles P-C4'-P energy: -129.884
tors. eta vs tors. theta energy: -227.228
Dist. restrs. and SS energy: 4.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2614.402381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.402381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.181190 (E_RNA)
where:
Base-Base interactions energy: -1825.393
where: short stacking energy: -809.771
Base-Backbone interact. energy: -1.423
local terms energy: -790.365108
where:
bonds (distance) C4'-P energy: -138.489
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -164.904
flat angles P-C4'-P energy: -118.816
tors. eta vs tors. theta energy: -238.717
Dist. restrs. and SS energy: 2.779 (S_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: 432
Temperature: 1.050000
Total energy: -2535.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.198690 (E_RNA)
where:
Base-Base interactions energy: -1784.361
where: short stacking energy: -739.985
Base-Backbone interact. energy: -1.499
local terms energy: -754.338472
where:
bonds (distance) C4'-P energy: -126.262
bonds (distance) P-C4' energy: -134.679
flat angles C4'-P-C4' energy: -158.419
flat angles P-C4'-P energy: -111.075
tors. eta vs tors. theta energy: -223.904
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2442.340490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.926151 (E_RNA)
where:
Base-Base interactions energy: -1706.116
where: short stacking energy: -712.841
Base-Backbone interact. energy: -3.463
local terms energy: -739.346247
where:
bonds (distance) C4'-P energy: -121.336
bonds (distance) P-C4' energy: -128.497
flat angles C4'-P-C4' energy: -161.844
flat angles P-C4'-P energy: -113.040
tors. eta vs tors. theta energy: -214.628
Dist. restrs. and SS energy: 6.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2386.967017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.967017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.761690 (E_RNA)
where:
Base-Base interactions energy: -1705.252
where: short stacking energy: -703.349
Base-Backbone interact. energy: -1.808
local terms energy: -683.702331
where:
bonds (distance) C4'-P energy: -120.075
bonds (distance) P-C4' energy: -116.078
flat angles C4'-P-C4' energy: -151.961
flat angles P-C4'-P energy: -89.154
tors. eta vs tors. theta energy: -206.434
Dist. restrs. and SS energy: 3.795 (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: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2307.550085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.550085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.335729 (E_RNA)
where:
Base-Base interactions energy: -1618.799
where: short stacking energy: -673.256
Base-Backbone interact. energy: -2.124
local terms energy: -694.412564
where:
bonds (distance) C4'-P energy: -124.730
bonds (distance) P-C4' energy: -132.135
flat angles C4'-P-C4' energy: -134.923
flat angles P-C4'-P energy: -102.253
tors. eta vs tors. theta energy: -200.371
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: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2180.074534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.074534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.648318 (E_RNA)
where:
Base-Base interactions energy: -1545.716
where: short stacking energy: -636.771
Base-Backbone interact. energy: -6.713
local terms energy: -636.219789
where:
bonds (distance) C4'-P energy: -116.035
bonds (distance) P-C4' energy: -109.781
flat angles C4'-P-C4' energy: -142.149
flat angles P-C4'-P energy: -85.374
tors. eta vs tors. theta energy: -182.880
Dist. restrs. and SS energy: 8.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -2209.942179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.942179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.187548 (E_RNA)
where:
Base-Base interactions energy: -1560.413
where: short stacking energy: -623.175
Base-Backbone interact. energy: -3.506
local terms energy: -650.268183
where:
bonds (distance) C4'-P energy: -112.516
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -152.056
flat angles P-C4'-P energy: -91.571
tors. eta vs tors. theta energy: -187.782
Dist. restrs. and SS energy: 4.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1789.268418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.268418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.194090 (E_RNA)
where:
Base-Base interactions energy: -1254.194
where: short stacking energy: -484.886
Base-Backbone interact. energy: 2.904
local terms energy: -562.904510
where:
bonds (distance) C4'-P energy: -126.761
bonds (distance) P-C4' energy: -119.913
flat angles C4'-P-C4' energy: -115.170
flat angles P-C4'-P energy: -77.706
tors. eta vs tors. theta energy: -123.355
Dist. restrs. and SS energy: 24.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2797.851118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.851118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.648780 (E_RNA)
where:
Base-Base interactions energy: -1988.462
where: short stacking energy: -837.652
Base-Backbone interact. energy: -0.409
local terms energy: -812.777771
where:
bonds (distance) C4'-P energy: -134.363
bonds (distance) P-C4' energy: -140.751
flat angles C4'-P-C4' energy: -165.899
flat angles P-C4'-P energy: -117.349
tors. eta vs tors. theta energy: -254.415
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2699.017107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.017107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.061358 (E_RNA)
where:
Base-Base interactions energy: -1904.600
where: short stacking energy: -797.079
Base-Backbone interact. energy: 1.377
local terms energy: -799.838542
where:
bonds (distance) C4'-P energy: -147.906
bonds (distance) P-C4' energy: -145.915
flat angles C4'-P-C4' energy: -171.743
flat angles P-C4'-P energy: -103.336
tors. eta vs tors. theta energy: -230.939
Dist. restrs. and SS energy: 4.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2623.460009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.460009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.749580 (E_RNA)
where:
Base-Base interactions energy: -1845.574
where: short stacking energy: -791.204
Base-Backbone interact. energy: 2.796
local terms energy: -784.971501
where:
bonds (distance) C4'-P energy: -135.588
bonds (distance) P-C4' energy: -141.611
flat angles C4'-P-C4' energy: -164.227
flat angles P-C4'-P energy: -102.036
tors. eta vs tors. theta energy: -241.510
Dist. restrs. and SS energy: 4.290 (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: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2582.009868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.009868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.196093 (E_RNA)
where:
Base-Base interactions energy: -1826.418
where: short stacking energy: -763.249
Base-Backbone interact. energy: 0.116
local terms energy: -761.893457
where:
bonds (distance) C4'-P energy: -138.778
bonds (distance) P-C4' energy: -135.826
flat angles C4'-P-C4' energy: -163.509
flat angles P-C4'-P energy: -89.945
tors. eta vs tors. theta energy: -233.835
Dist. restrs. and SS energy: 6.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2489.741806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.741806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.398812 (E_RNA)
where:
Base-Base interactions energy: -1778.040
where: short stacking energy: -743.778
Base-Backbone interact. energy: -1.341
local terms energy: -714.017911
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -156.595
flat angles P-C4'-P energy: -92.447
tors. eta vs tors. theta energy: -225.538
Dist. restrs. and SS energy: 3.657 (S_DIST_RNA)
chem. 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: -2389.683318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.683318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.752656 (E_RNA)
where:
Base-Base interactions energy: -1702.414
where: short stacking energy: -737.269
Base-Backbone interact. energy: -0.566
local terms energy: -694.773352
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -109.474
flat angles C4'-P-C4' energy: -157.684
flat angles P-C4'-P energy: -94.595
tors. eta vs tors. theta energy: -207.500
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2331.377692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.377692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.692324 (E_RNA)
where:
Base-Base interactions energy: -1637.803
where: short stacking energy: -683.584
Base-Backbone interact. energy: -5.003
local terms energy: -693.886224
where:
bonds (distance) C4'-P energy: -123.729
bonds (distance) P-C4' energy: -128.373
flat angles C4'-P-C4' energy: -147.807
flat angles P-C4'-P energy: -83.327
tors. eta vs tors. theta energy: -210.651
Dist. restrs. and SS energy: 5.315 (S_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: 433
Temperature: 1.250000
Total energy: -2257.111837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.111837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.223712 (E_RNA)
where:
Base-Base interactions energy: -1608.060
where: short stacking energy: -692.536
Base-Backbone interact. energy: 4.146
local terms energy: -658.309719
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -126.196
flat angles C4'-P-C4' energy: -143.908
flat angles P-C4'-P energy: -88.686
tors. eta vs tors. theta energy: -194.770
Dist. restrs. and SS energy: 5.112 (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: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2162.995959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.995959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.815067 (E_RNA)
where:
Base-Base interactions energy: -1564.520
where: short stacking energy: -654.263
Base-Backbone interact. energy: -0.960
local terms energy: -612.334881
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -94.137
flat angles C4'-P-C4' energy: -141.162
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -190.017
Dist. restrs. and SS energy: 14.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1842.800036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.800036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.631759 (E_RNA)
where:
Base-Base interactions energy: -1291.872
where: short stacking energy: -527.903
Base-Backbone interact. energy: -0.514
local terms energy: -576.246053
where:
bonds (distance) C4'-P energy: -120.028
bonds (distance) P-C4' energy: -125.812
flat angles C4'-P-C4' energy: -132.936
flat angles P-C4'-P energy: -59.653
tors. eta vs tors. theta energy: -137.817
Dist. restrs. and SS energy: 25.832 (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: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2821.378876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.378876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.422042 (E_RNA)
where:
Base-Base interactions energy: -1970.321
where: short stacking energy: -819.025
Base-Backbone interact. energy: -4.501
local terms energy: -849.600265
where:
bonds (distance) C4'-P energy: -147.410
bonds (distance) P-C4' energy: -151.154
flat angles C4'-P-C4' energy: -178.933
flat angles P-C4'-P energy: -119.017
tors. eta vs tors. theta energy: -253.088
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: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2697.614430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.614430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.901597 (E_RNA)
where:
Base-Base interactions energy: -1898.305
where: short stacking energy: -803.881
Base-Backbone interact. energy: -2.765
local terms energy: -801.831939
where:
bonds (distance) C4'-P energy: -146.008
bonds (distance) P-C4' energy: -141.644
flat angles C4'-P-C4' energy: -158.116
flat angles P-C4'-P energy: -114.411
tors. eta vs tors. theta energy: -241.653
Dist. restrs. and SS energy: 5.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2608.871036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.871036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.846647 (E_RNA)
where:
Base-Base interactions energy: -1840.286
where: short stacking energy: -796.446
Base-Backbone interact. energy: 3.224
local terms energy: -776.784595
where:
bonds (distance) C4'-P energy: -132.604
bonds (distance) P-C4' energy: -137.856
flat angles C4'-P-C4' energy: -165.314
flat angles P-C4'-P energy: -107.428
tors. eta vs tors. theta energy: -233.582
Dist. restrs. and SS energy: 4.976 (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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2578.497455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.497455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.541493 (E_RNA)
where:
Base-Base interactions energy: -1803.305
where: short stacking energy: -737.394
Base-Backbone interact. energy: 0.129
local terms energy: -781.365314
where:
bonds (distance) C4'-P energy: -123.137
bonds (distance) P-C4' energy: -147.293
flat angles C4'-P-C4' energy: -163.231
flat angles P-C4'-P energy: -117.602
tors. eta vs tors. theta energy: -230.103
Dist. restrs. and SS energy: 6.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2483.359879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.359879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.589633 (E_RNA)
where:
Base-Base interactions energy: -1733.493
where: short stacking energy: -712.919
Base-Backbone interact. energy: -5.812
local terms energy: -749.284849
where:
bonds (distance) C4'-P energy: -155.660
bonds (distance) P-C4' energy: -134.023
flat angles C4'-P-C4' energy: -138.545
flat angles P-C4'-P energy: -102.401
tors. eta vs tors. theta energy: -218.656
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2405.710560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.710560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.053776 (E_RNA)
where:
Base-Base interactions energy: -1678.374
where: short stacking energy: -685.363
Base-Backbone interact. energy: -2.757
local terms energy: -728.922494
where:
bonds (distance) C4'-P energy: -139.201
bonds (distance) P-C4' energy: -122.889
flat angles C4'-P-C4' energy: -151.519
flat angles P-C4'-P energy: -99.158
tors. eta vs tors. theta energy: -216.156
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2337.773323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.773323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.929421 (E_RNA)
where:
Base-Base interactions energy: -1640.162
where: short stacking energy: -702.443
Base-Backbone interact. energy: -2.205
local terms energy: -701.562295
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -129.120
flat angles C4'-P-C4' energy: -153.999
flat angles P-C4'-P energy: -107.884
tors. eta vs tors. theta energy: -197.706
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2257.444509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.444509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.232932 (E_RNA)
where:
Base-Base interactions energy: -1577.081
where: short stacking energy: -651.805
Base-Backbone interact. energy: 0.053
local terms energy: -686.205148
where:
bonds (distance) C4'-P energy: -118.024
bonds (distance) P-C4' energy: -128.196
flat angles C4'-P-C4' energy: -148.645
flat angles P-C4'-P energy: -82.437
tors. eta vs tors. theta energy: -208.904
Dist. restrs. and SS energy: 5.788 (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: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2172.917059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.917059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.406177 (E_RNA)
where:
Base-Base interactions energy: -1547.702
where: short stacking energy: -626.282
Base-Backbone interact. energy: -3.588
local terms energy: -630.115688
where:
bonds (distance) C4'-P energy: -99.263
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -148.752
flat angles P-C4'-P energy: -95.091
tors. eta vs tors. theta energy: -181.767
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: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1876.216245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.216245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.904371 (E_RNA)
where:
Base-Base interactions energy: -1352.433
where: short stacking energy: -555.159
Base-Backbone interact. energy: 2.874
local terms energy: -559.345239
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -111.615
flat angles C4'-P-C4' energy: -123.662
flat angles P-C4'-P energy: -81.837
tors. eta vs tors. theta energy: -138.968
Dist. restrs. and SS energy: 32.688 (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: 435
Temperature: 0.900000
Total energy: -2785.267706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.267706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.300962 (E_RNA)
where:
Base-Base interactions energy: -1967.671
where: short stacking energy: -836.804
Base-Backbone interact. energy: -6.365
local terms energy: -814.265302
where:
bonds (distance) C4'-P energy: -128.625
bonds (distance) P-C4' energy: -155.814
flat angles C4'-P-C4' energy: -164.678
flat angles P-C4'-P energy: -113.432
tors. eta vs tors. theta energy: -251.717
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2702.578825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.578825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.744012 (E_RNA)
where:
Base-Base interactions energy: -1899.155
where: short stacking energy: -789.463
Base-Backbone interact. energy: -3.940
local terms energy: -802.649073
where:
bonds (distance) C4'-P energy: -127.286
bonds (distance) P-C4' energy: -150.273
flat angles C4'-P-C4' energy: -165.704
flat angles P-C4'-P energy: -121.990
tors. eta vs tors. theta energy: -237.396
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2636.001897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.001897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.403068 (E_RNA)
where:
Base-Base interactions energy: -1840.004
where: short stacking energy: -805.404
Base-Backbone interact. energy: -2.232
local terms energy: -798.166501
where:
bonds (distance) C4'-P energy: -135.918
bonds (distance) P-C4' energy: -145.430
flat angles C4'-P-C4' energy: -179.572
flat angles P-C4'-P energy: -98.271
tors. eta vs tors. theta energy: -238.976
Dist. restrs. and SS energy: 4.401 (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: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2585.737622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.737622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.343988 (E_RNA)
where:
Base-Base interactions energy: -1821.547
where: short stacking energy: -776.993
Base-Backbone interact. energy: -3.349
local terms energy: -765.447412
where:
bonds (distance) C4'-P energy: -134.616
bonds (distance) P-C4' energy: -137.682
flat angles C4'-P-C4' energy: -161.528
flat angles P-C4'-P energy: -98.639
tors. eta vs tors. theta energy: -232.982
Dist. restrs. and SS energy: 4.606 (S_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: 435
Temperature: 1.100000
Total energy: -2459.821285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.821285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.159530 (E_RNA)
where:
Base-Base interactions energy: -1722.341
where: short stacking energy: -708.557
Base-Backbone interact. energy: -6.528
local terms energy: -735.290402
where:
bonds (distance) C4'-P energy: -134.634
bonds (distance) P-C4' energy: -127.936
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -103.107
tors. eta vs tors. theta energy: -213.713
Dist. restrs. and SS energy: 4.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2417.972106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.972106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.833529 (E_RNA)
where:
Base-Base interactions energy: -1720.774
where: short stacking energy: -726.530
Base-Backbone interact. energy: -4.923
local terms energy: -702.135979
where:
bonds (distance) C4'-P energy: -132.424
bonds (distance) P-C4' energy: -106.807
flat angles C4'-P-C4' energy: -155.775
flat angles P-C4'-P energy: -95.501
tors. eta vs tors. theta energy: -211.629
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: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2348.374720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.374720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.706674 (E_RNA)
where:
Base-Base interactions energy: -1666.145
where: short stacking energy: -678.160
Base-Backbone interact. energy: -2.164
local terms energy: -684.397477
where:
bonds (distance) C4'-P energy: -107.915
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -151.727
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -212.159
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2257.391746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.391746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.673157 (E_RNA)
where:
Base-Base interactions energy: -1592.453
where: short stacking energy: -669.459
Base-Backbone interact. energy: -0.511
local terms energy: -673.708879
where:
bonds (distance) C4'-P energy: -114.592
bonds (distance) P-C4' energy: -130.398
flat angles C4'-P-C4' energy: -152.105
flat angles P-C4'-P energy: -82.017
tors. eta vs tors. theta energy: -194.597
Dist. restrs. and SS energy: 9.281 (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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -2171.460493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.460493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.952524 (E_RNA)
where:
Base-Base interactions energy: -1552.269
where: short stacking energy: -637.354
Base-Backbone interact. energy: -2.816
local terms energy: -621.867679
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -104.511
flat angles C4'-P-C4' energy: -136.171
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -189.939
Dist. restrs. and SS energy: 5.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1817.781282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.781282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.529062 (E_RNA)
where:
Base-Base interactions energy: -1322.655
where: short stacking energy: -516.318
Base-Backbone interact. energy: 2.396
local terms energy: -527.270644
where:
bonds (distance) C4'-P energy: -106.834
bonds (distance) P-C4' energy: -99.105
flat angles C4'-P-C4' energy: -126.303
flat angles P-C4'-P energy: -61.284
tors. eta vs tors. theta energy: -133.745
Dist. restrs. and SS energy: 29.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2787.919769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.919769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.530709 (E_RNA)
where:
Base-Base interactions energy: -1963.925
where: short stacking energy: -834.267
Base-Backbone interact. energy: -3.144
local terms energy: -824.461675
where:
bonds (distance) C4'-P energy: -140.042
bonds (distance) P-C4' energy: -150.973
flat angles C4'-P-C4' energy: -161.184
flat angles P-C4'-P energy: -114.044
tors. eta vs tors. theta energy: -258.219
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2666.341704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.341704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.679041 (E_RNA)
where:
Base-Base interactions energy: -1872.259
where: short stacking energy: -794.696
Base-Backbone interact. energy: -4.135
local terms energy: -794.285002
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -143.671
flat angles C4'-P-C4' energy: -175.613
flat angles P-C4'-P energy: -123.624
tors. eta vs tors. theta energy: -228.904
Dist. restrs. and SS energy: 4.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2612.678641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.678641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.510433 (E_RNA)
where:
Base-Base interactions energy: -1828.032
where: short stacking energy: -793.572
Base-Backbone interact. energy: -4.633
local terms energy: -784.846115
where:
bonds (distance) C4'-P energy: -124.286
bonds (distance) P-C4' energy: -136.813
flat angles C4'-P-C4' energy: -175.694
flat angles P-C4'-P energy: -103.019
tors. eta vs tors. theta energy: -245.033
Dist. restrs. and SS energy: 4.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2553.114553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.114553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.911283 (E_RNA)
where:
Base-Base interactions energy: -1777.885
where: short stacking energy: -756.939
Base-Backbone interact. energy: -0.289
local terms energy: -778.737801
where:
bonds (distance) C4'-P energy: -134.081
bonds (distance) P-C4' energy: -133.608
flat angles C4'-P-C4' energy: -169.488
flat angles P-C4'-P energy: -114.434
tors. eta vs tors. theta energy: -227.126
Dist. restrs. and SS energy: 3.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2444.095484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.095484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.274593 (E_RNA)
where:
Base-Base interactions energy: -1703.496
where: short stacking energy: -697.766
Base-Backbone interact. energy: -2.130
local terms energy: -747.648104
where:
bonds (distance) C4'-P energy: -136.293
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -159.382
flat angles P-C4'-P energy: -112.136
tors. eta vs tors. theta energy: -205.133
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: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2440.391976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.391976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.357251 (E_RNA)
where:
Base-Base interactions energy: -1713.054
where: short stacking energy: -705.193
Base-Backbone interact. energy: -3.392
local terms energy: -726.910530
where:
bonds (distance) C4'-P energy: -128.529
bonds (distance) P-C4' energy: -130.081
flat angles C4'-P-C4' energy: -168.702
flat angles P-C4'-P energy: -85.992
tors. eta vs tors. theta energy: -213.606
Dist. restrs. and SS energy: 2.965 (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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2335.629119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.629119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.987622 (E_RNA)
where:
Base-Base interactions energy: -1640.812
where: short stacking energy: -687.824
Base-Backbone interact. energy: -0.479
local terms energy: -697.696316
where:
bonds (distance) C4'-P energy: -121.059
bonds (distance) P-C4' energy: -127.115
flat angles C4'-P-C4' energy: -138.561
flat angles P-C4'-P energy: -104.425
tors. eta vs tors. theta energy: -206.535
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2276.551063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.551063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.577432 (E_RNA)
where:
Base-Base interactions energy: -1629.267
where: short stacking energy: -679.498
Base-Backbone interact. energy: 0.929
local terms energy: -654.238648
where:
bonds (distance) C4'-P energy: -108.427
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -126.799
flat angles P-C4'-P energy: -93.888
tors. eta vs tors. theta energy: -201.367
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: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -2155.948828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.948828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.916592 (E_RNA)
where:
Base-Base interactions energy: -1525.323
where: short stacking energy: -621.026
Base-Backbone interact. energy: 0.461
local terms energy: -634.054851
where:
bonds (distance) C4'-P energy: -111.325
bonds (distance) P-C4' energy: -117.725
flat angles C4'-P-C4' energy: -151.683
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -179.966
Dist. restrs. and SS energy: 2.968 (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: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1868.623945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.623945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.129502 (E_RNA)
where:
Base-Base interactions energy: -1338.068
where: short stacking energy: -582.115
Base-Backbone interact. energy: 0.842
local terms energy: -564.903070
where:
bonds (distance) C4'-P energy: -108.249
bonds (distance) P-C4' energy: -112.904
flat angles C4'-P-C4' energy: -107.123
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -163.672
Dist. restrs. and SS energy: 33.506 (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: 437
Temperature: 0.900000
Total energy: -2800.299091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.299091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.991369 (E_RNA)
where:
Base-Base interactions energy: -1947.880
where: short stacking energy: -860.495
Base-Backbone interact. energy: -2.574
local terms energy: -854.536910
where:
bonds (distance) C4'-P energy: -145.117
bonds (distance) P-C4' energy: -157.072
flat angles C4'-P-C4' energy: -167.234
flat angles P-C4'-P energy: -119.300
tors. eta vs tors. theta energy: -265.814
Dist. restrs. and SS energy: 4.692 (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: 437
Temperature: 0.950000
Total energy: -2679.351518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.351518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.133910 (E_RNA)
where:
Base-Base interactions energy: -1891.612
where: short stacking energy: -792.609
Base-Backbone interact. energy: 1.185
local terms energy: -792.706727
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -145.825
flat angles C4'-P-C4' energy: -161.726
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -232.868
Dist. restrs. and SS energy: 3.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2612.739051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.739051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.434595 (E_RNA)
where:
Base-Base interactions energy: -1829.190
where: short stacking energy: -775.797
Base-Backbone interact. energy: -0.996
local terms energy: -785.248351
where:
bonds (distance) C4'-P energy: -129.859
bonds (distance) P-C4' energy: -147.385
flat angles C4'-P-C4' energy: -171.711
flat angles P-C4'-P energy: -112.135
tors. eta vs tors. theta energy: -224.158
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2548.030705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.030705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.768437 (E_RNA)
where:
Base-Base interactions energy: -1794.745
where: short stacking energy: -787.950
Base-Backbone interact. energy: -5.296
local terms energy: -751.726859
where:
bonds (distance) C4'-P energy: -123.412
bonds (distance) P-C4' energy: -125.255
flat angles C4'-P-C4' energy: -163.110
flat angles P-C4'-P energy: -108.926
tors. eta vs tors. theta energy: -231.025
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2427.616876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.616876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.719990 (E_RNA)
where:
Base-Base interactions energy: -1740.390
where: short stacking energy: -730.311
Base-Backbone interact. energy: -2.049
local terms energy: -688.280966
where:
bonds (distance) C4'-P energy: -122.376
bonds (distance) P-C4' energy: -113.739
flat angles C4'-P-C4' energy: -153.287
flat angles P-C4'-P energy: -87.682
tors. eta vs tors. theta energy: -211.197
Dist. restrs. and SS energy: 3.103 (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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2435.578313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.578313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.322595 (E_RNA)
where:
Base-Base interactions energy: -1731.636
where: short stacking energy: -709.833
Base-Backbone interact. energy: 0.013
local terms energy: -707.700338
where:
bonds (distance) C4'-P energy: -128.653
bonds (distance) P-C4' energy: -122.295
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -91.415
tors. eta vs tors. theta energy: -215.997
Dist. restrs. and SS energy: 3.744 (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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2364.870209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.870209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.880888 (E_RNA)
where:
Base-Base interactions energy: -1686.279
where: short stacking energy: -709.993
Base-Backbone interact. energy: -0.049
local terms energy: -686.552188
where:
bonds (distance) C4'-P energy: -118.869
bonds (distance) P-C4' energy: -125.455
flat angles C4'-P-C4' energy: -150.087
flat angles P-C4'-P energy: -89.929
tors. eta vs tors. theta energy: -202.213
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: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2213.007061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.007061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.545499 (E_RNA)
where:
Base-Base interactions energy: -1559.876
where: short stacking energy: -657.228
Base-Backbone interact. energy: -3.628
local terms energy: -657.041851
where:
bonds (distance) C4'-P energy: -122.562
bonds (distance) P-C4' energy: -120.583
flat angles C4'-P-C4' energy: -137.276
flat angles P-C4'-P energy: -98.602
tors. eta vs tors. theta energy: -178.019
Dist. restrs. and SS energy: 7.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -2168.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.218594 (E_RNA)
where:
Base-Base interactions energy: -1550.549
where: short stacking energy: -650.058
Base-Backbone interact. energy: 2.486
local terms energy: -632.156083
where:
bonds (distance) C4'-P energy: -103.585
bonds (distance) P-C4' energy: -119.062
flat angles C4'-P-C4' energy: -143.465
flat angles P-C4'-P energy: -75.569
tors. eta vs tors. theta energy: -190.475
Dist. restrs. and SS energy: 12.107 (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: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1858.336402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.336402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.504257 (E_RNA)
where:
Base-Base interactions energy: -1329.318
where: short stacking energy: -551.525
Base-Backbone interact. energy: -0.650
local terms energy: -557.536421
where:
bonds (distance) C4'-P energy: -114.264
bonds (distance) P-C4' energy: -86.012
flat angles C4'-P-C4' energy: -129.109
flat angles P-C4'-P energy: -88.150
tors. eta vs tors. theta energy: -140.001
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: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2774.547570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.547570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.468256 (E_RNA)
where:
Base-Base interactions energy: -1954.221
where: short stacking energy: -857.964
Base-Backbone interact. energy: -1.620
local terms energy: -822.627643
where:
bonds (distance) C4'-P energy: -144.191
bonds (distance) P-C4' energy: -140.773
flat angles C4'-P-C4' energy: -168.970
flat angles P-C4'-P energy: -117.771
tors. eta vs tors. theta energy: -250.923
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2707.380689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.380689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.115642 (E_RNA)
where:
Base-Base interactions energy: -1909.589
where: short stacking energy: -806.381
Base-Backbone interact. energy: -4.158
local terms energy: -802.368061
where:
bonds (distance) C4'-P energy: -133.532
bonds (distance) P-C4' energy: -137.991
flat angles C4'-P-C4' energy: -175.685
flat angles P-C4'-P energy: -118.710
tors. eta vs tors. theta energy: -236.451
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: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2633.412451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.412451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.151025 (E_RNA)
where:
Base-Base interactions energy: -1836.133
where: short stacking energy: -786.076
Base-Backbone interact. energy: -4.172
local terms energy: -796.845853
where:
bonds (distance) C4'-P energy: -143.378
bonds (distance) P-C4' energy: -130.410
flat angles C4'-P-C4' energy: -172.654
flat angles P-C4'-P energy: -115.577
tors. eta vs tors. theta energy: -234.828
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2521.228883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.228883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.574165 (E_RNA)
where:
Base-Base interactions energy: -1783.179
where: short stacking energy: -757.579
Base-Backbone interact. energy: -3.778
local terms energy: -738.617736
where:
bonds (distance) C4'-P energy: -141.539
bonds (distance) P-C4' energy: -136.252
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -101.334
tors. eta vs tors. theta energy: -215.512
Dist. restrs. and SS energy: 4.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2458.874549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.874549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.471868 (E_RNA)
where:
Base-Base interactions energy: -1732.092
where: short stacking energy: -716.110
Base-Backbone interact. energy: -1.794
local terms energy: -728.586400
where:
bonds (distance) C4'-P energy: -125.564
bonds (distance) P-C4' energy: -129.901
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -102.024
tors. eta vs tors. theta energy: -215.231
Dist. restrs. and SS energy: 3.597 (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: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2392.945735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.945735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.463894 (E_RNA)
where:
Base-Base interactions energy: -1676.358
where: short stacking energy: -707.193
Base-Backbone interact. energy: -1.527
local terms energy: -721.578614
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -157.528
flat angles P-C4'-P energy: -100.858
tors. eta vs tors. theta energy: -206.332
Dist. restrs. and SS energy: 6.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2340.998947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.998947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.301617 (E_RNA)
where:
Base-Base interactions energy: -1635.694
where: short stacking energy: -689.707
Base-Backbone interact. energy: -1.618
local terms energy: -708.989663
where:
bonds (distance) C4'-P energy: -126.792
bonds (distance) P-C4' energy: -129.817
flat angles C4'-P-C4' energy: -147.330
flat angles P-C4'-P energy: -111.245
tors. eta vs tors. theta energy: -193.806
Dist. restrs. and SS energy: 5.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2224.148236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.148236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.750686 (E_RNA)
where:
Base-Base interactions energy: -1549.303
where: short stacking energy: -653.778
Base-Backbone interact. energy: -0.098
local terms energy: -679.349941
where:
bonds (distance) C4'-P energy: -121.911
bonds (distance) P-C4' energy: -121.193
flat angles C4'-P-C4' energy: -154.978
flat angles P-C4'-P energy: -85.664
tors. eta vs tors. theta energy: -195.604
Dist. restrs. and SS energy: 4.602 (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: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -2185.575266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.575266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.295731 (E_RNA)
where:
Base-Base interactions energy: -1545.817
where: short stacking energy: -671.586
Base-Backbone interact. energy: -1.407
local terms energy: -648.071427
where:
bonds (distance) C4'-P energy: -119.997
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -145.043
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -184.770
Dist. restrs. and SS energy: 9.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1877.834299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.834299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.040428 (E_RNA)
where:
Base-Base interactions energy: -1325.278
where: short stacking energy: -541.975
Base-Backbone interact. energy: 3.184
local terms energy: -574.945599
where:
bonds (distance) C4'-P energy: -108.459
bonds (distance) P-C4' energy: -106.489
flat angles C4'-P-C4' energy: -140.973
flat angles P-C4'-P energy: -67.473
tors. eta vs tors. theta energy: -151.551
Dist. restrs. and SS energy: 19.206 (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: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2788.885494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.885494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.542622 (E_RNA)
where:
Base-Base interactions energy: -1921.172
where: short stacking energy: -849.867
Base-Backbone interact. energy: -2.891
local terms energy: -868.479541
where:
bonds (distance) C4'-P energy: -148.333
bonds (distance) P-C4' energy: -148.663
flat angles C4'-P-C4' energy: -176.463
flat angles P-C4'-P energy: -129.125
tors. eta vs tors. theta energy: -265.895
Dist. restrs. and SS energy: 3.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2667.058717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.058717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.165041 (E_RNA)
where:
Base-Base interactions energy: -1886.234
where: short stacking energy: -804.417
Base-Backbone interact. energy: -4.015
local terms energy: -779.915690
where:
bonds (distance) C4'-P energy: -124.048
bonds (distance) P-C4' energy: -139.008
flat angles C4'-P-C4' energy: -165.825
flat angles P-C4'-P energy: -117.499
tors. eta vs tors. theta energy: -233.535
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2616.259175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.259175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.551368 (E_RNA)
where:
Base-Base interactions energy: -1838.064
where: short stacking energy: -774.509
Base-Backbone interact. energy: 1.851
local terms energy: -788.338716
where:
bonds (distance) C4'-P energy: -139.420
bonds (distance) P-C4' energy: -145.936
flat angles C4'-P-C4' energy: -158.534
flat angles P-C4'-P energy: -116.027
tors. eta vs tors. theta energy: -228.422
Dist. restrs. and SS energy: 8.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2560.757491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.757491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.471390 (E_RNA)
where:
Base-Base interactions energy: -1805.350
where: short stacking energy: -779.326
Base-Backbone interact. energy: -4.479
local terms energy: -756.642555
where:
bonds (distance) C4'-P energy: -135.500
bonds (distance) P-C4' energy: -126.267
flat angles C4'-P-C4' energy: -150.311
flat angles P-C4'-P energy: -112.631
tors. eta vs tors. theta energy: -231.934
Dist. restrs. and SS energy: 5.714 (S_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: 439
Temperature: 1.100000
Total energy: -2455.546585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.546585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.494500 (E_RNA)
where:
Base-Base interactions energy: -1741.075
where: short stacking energy: -718.035
Base-Backbone interact. energy: -4.021
local terms energy: -714.398650
where:
bonds (distance) C4'-P energy: -112.949
bonds (distance) P-C4' energy: -137.457
flat angles C4'-P-C4' energy: -141.528
flat angles P-C4'-P energy: -112.404
tors. eta vs tors. theta energy: -210.060
Dist. restrs. and SS energy: 3.948 (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: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2344.679707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.679707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.319874 (E_RNA)
where:
Base-Base interactions energy: -1629.120
where: short stacking energy: -702.785
Base-Backbone interact. energy: 4.991
local terms energy: -730.190916
where:
bonds (distance) C4'-P energy: -150.795
bonds (distance) P-C4' energy: -121.180
flat angles C4'-P-C4' energy: -150.386
flat angles P-C4'-P energy: -105.171
tors. eta vs tors. theta energy: -202.658
Dist. restrs. and SS energy: 9.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2309.080871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.080871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.077234 (E_RNA)
where:
Base-Base interactions energy: -1644.090
where: short stacking energy: -683.789
Base-Backbone interact. energy: -2.222
local terms energy: -669.765765
where:
bonds (distance) C4'-P energy: -126.006
bonds (distance) P-C4' energy: -110.898
flat angles C4'-P-C4' energy: -153.366
flat angles P-C4'-P energy: -80.620
tors. eta vs tors. theta energy: -198.876
Dist. restrs. and SS energy: 6.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2252.288505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.288505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.728589 (E_RNA)
where:
Base-Base interactions energy: -1569.517
where: short stacking energy: -677.385
Base-Backbone interact. energy: -2.995
local terms energy: -689.216780
where:
bonds (distance) C4'-P energy: -115.643
bonds (distance) P-C4' energy: -133.239
flat angles C4'-P-C4' energy: -138.049
flat angles P-C4'-P energy: -93.269
tors. eta vs tors. theta energy: -209.017
Dist. restrs. and SS energy: 9.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -2183.929541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.929541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.522552 (E_RNA)
where:
Base-Base interactions energy: -1562.180
where: short stacking energy: -661.086
Base-Backbone interact. energy: 2.408
local terms energy: -629.751094
where:
bonds (distance) C4'-P energy: -120.806
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -132.797
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: -199.420
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: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1875.364582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.364582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.465109 (E_RNA)
where:
Base-Base interactions energy: -1315.342
where: short stacking energy: -559.039
Base-Backbone interact. energy: -2.135
local terms energy: -593.988998
where:
bonds (distance) C4'-P energy: -103.045
bonds (distance) P-C4' energy: -118.360
flat angles C4'-P-C4' energy: -129.364
flat angles P-C4'-P energy: -89.875
tors. eta vs tors. theta energy: -153.345
Dist. restrs. and SS energy: 36.101 (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: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2789.699642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.699642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.125120 (E_RNA)
where:
Base-Base interactions energy: -1931.802
where: short stacking energy: -836.190
Base-Backbone interact. energy: -3.977
local terms energy: -857.345517
where:
bonds (distance) C4'-P energy: -151.902
bonds (distance) P-C4' energy: -143.334
flat angles C4'-P-C4' energy: -179.671
flat angles P-C4'-P energy: -125.361
tors. eta vs tors. theta energy: -257.078
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: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2670.149597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.149597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.076529 (E_RNA)
where:
Base-Base interactions energy: -1866.645
where: short stacking energy: -795.303
Base-Backbone interact. energy: -3.491
local terms energy: -803.940916
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -131.566
flat angles C4'-P-C4' energy: -179.980
flat angles P-C4'-P energy: -120.369
tors. eta vs tors. theta energy: -232.300
Dist. restrs. and SS energy: 3.927 (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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2628.124265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.290953 (E_RNA)
where:
Base-Base interactions energy: -1846.673
where: short stacking energy: -777.925
Base-Backbone interact. energy: -4.380
local terms energy: -783.238593
where:
bonds (distance) C4'-P energy: -143.982
bonds (distance) P-C4' energy: -138.674
flat angles C4'-P-C4' energy: -168.599
flat angles P-C4'-P energy: -108.059
tors. eta vs tors. theta energy: -223.925
Dist. restrs. and SS energy: 6.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2570.288393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.288393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.293488 (E_RNA)
where:
Base-Base interactions energy: -1810.486
where: short stacking energy: -752.375
Base-Backbone interact. energy: -3.074
local terms energy: -759.733171
where:
bonds (distance) C4'-P energy: -127.143
bonds (distance) P-C4' energy: -127.558
flat angles C4'-P-C4' energy: -156.970
flat angles P-C4'-P energy: -115.885
tors. eta vs tors. theta energy: -232.176
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2483.010135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.010135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.761457 (E_RNA)
where:
Base-Base interactions energy: -1745.728
where: short stacking energy: -706.848
Base-Backbone interact. energy: -7.445
local terms energy: -739.587907
where:
bonds (distance) C4'-P energy: -121.655
bonds (distance) P-C4' energy: -143.060
flat angles C4'-P-C4' energy: -159.261
flat angles P-C4'-P energy: -106.706
tors. eta vs tors. theta energy: -208.905
Dist. restrs. and SS energy: 9.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2363.803872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.803872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.570406 (E_RNA)
where:
Base-Base interactions energy: -1647.254
where: short stacking energy: -683.187
Base-Backbone interact. energy: -1.734
local terms energy: -721.582093
where:
bonds (distance) C4'-P energy: -112.743
bonds (distance) P-C4' energy: -130.986
flat angles C4'-P-C4' energy: -157.277
flat angles P-C4'-P energy: -101.977
tors. eta vs tors. theta energy: -218.600
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: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2299.122410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.209081 (E_RNA)
where:
Base-Base interactions energy: -1612.542
where: short stacking energy: -656.724
Base-Backbone interact. energy: -2.047
local terms energy: -688.619922
where:
bonds (distance) C4'-P energy: -116.163
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -150.561
flat angles P-C4'-P energy: -106.224
tors. eta vs tors. theta energy: -203.987
Dist. restrs. and SS energy: 4.087 (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: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -2237.417320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.417320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.945806 (E_RNA)
where:
Base-Base interactions energy: -1589.097
where: short stacking energy: -682.115
Base-Backbone interact. energy: -3.353
local terms energy: -656.495964
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -125.492
flat angles C4'-P-C4' energy: -135.410
flat angles P-C4'-P energy: -94.511
tors. eta vs tors. theta energy: -199.547
Dist. restrs. and SS energy: 11.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -2102.935016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.935016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.431978 (E_RNA)
where:
Base-Base interactions energy: -1487.147
where: short stacking energy: -608.712
Base-Backbone interact. energy: 1.931
local terms energy: -628.216395
where:
bonds (distance) C4'-P energy: -118.890
bonds (distance) P-C4' energy: -101.345
flat angles C4'-P-C4' energy: -132.261
flat angles P-C4'-P energy: -92.494
tors. eta vs tors. theta energy: -183.226
Dist. restrs. and SS energy: 10.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1917.509262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.509262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.619875 (E_RNA)
where:
Base-Base interactions energy: -1352.086
where: short stacking energy: -572.584
Base-Backbone interact. energy: -0.456
local terms energy: -599.077762
where:
bonds (distance) C4'-P energy: -114.989
bonds (distance) P-C4' energy: -124.746
flat angles C4'-P-C4' energy: -121.053
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -152.749
Dist. restrs. and SS energy: 34.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2800.103476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.103476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.701702 (E_RNA)
where:
Base-Base interactions energy: -1955.708
where: short stacking energy: -845.956
Base-Backbone interact. energy: 0.277
local terms energy: -852.271177
where:
bonds (distance) C4'-P energy: -144.930
bonds (distance) P-C4' energy: -154.340
flat angles C4'-P-C4' energy: -180.985
flat angles P-C4'-P energy: -120.414
tors. eta vs tors. theta energy: -251.601
Dist. restrs. and SS energy: 7.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2698.977442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.977442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.410886 (E_RNA)
where:
Base-Base interactions energy: -1871.550
where: short stacking energy: -813.290
Base-Backbone interact. energy: -3.101
local terms energy: -827.759365
where:
bonds (distance) C4'-P energy: -143.604
bonds (distance) P-C4' energy: -150.435
flat angles C4'-P-C4' energy: -164.115
flat angles P-C4'-P energy: -117.976
tors. eta vs tors. theta energy: -251.629
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2657.534787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.534787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.942394 (E_RNA)
where:
Base-Base interactions energy: -1880.568
where: short stacking energy: -785.819
Base-Backbone interact. energy: -1.033
local terms energy: -782.341617
where:
bonds (distance) C4'-P energy: -133.750
bonds (distance) P-C4' energy: -126.315
flat angles C4'-P-C4' energy: -163.918
flat angles P-C4'-P energy: -127.533
tors. eta vs tors. theta energy: -230.827
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: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2611.495243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.495243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.379479 (E_RNA)
where:
Base-Base interactions energy: -1835.654
where: short stacking energy: -770.085
Base-Backbone interact. energy: -3.907
local terms energy: -774.818396
where:
bonds (distance) C4'-P energy: -144.852
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -153.716
flat angles P-C4'-P energy: -106.081
tors. eta vs tors. theta energy: -234.805
Dist. restrs. and SS energy: 2.884 (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: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2520.048576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.048576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.298190 (E_RNA)
where:
Base-Base interactions energy: -1762.365
where: short stacking energy: -726.745
Base-Backbone interact. energy: -2.520
local terms energy: -758.412988
where:
bonds (distance) C4'-P energy: -129.179
bonds (distance) P-C4' energy: -142.849
flat angles C4'-P-C4' energy: -155.852
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -216.550
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2391.357865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.357865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.011104 (E_RNA)
where:
Base-Base interactions energy: -1642.338
where: short stacking energy: -698.491
Base-Backbone interact. energy: -5.227
local terms energy: -752.446205
where:
bonds (distance) C4'-P energy: -140.324
bonds (distance) P-C4' energy: -133.175
flat angles C4'-P-C4' energy: -156.800
flat angles P-C4'-P energy: -105.747
tors. eta vs tors. theta energy: -216.401
Dist. restrs. and SS energy: 8.653 (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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2312.074093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.074093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.805348 (E_RNA)
where:
Base-Base interactions energy: -1660.692
where: short stacking energy: -704.326
Base-Backbone interact. energy: 0.266
local terms energy: -657.379681
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -132.300
flat angles C4'-P-C4' energy: -159.589
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -197.393
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: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2116.868335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.868335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.472685 (E_RNA)
where:
Base-Base interactions energy: -1484.939
where: short stacking energy: -617.390
Base-Backbone interact. energy: -2.021
local terms energy: -642.511924
where:
bonds (distance) C4'-P energy: -104.271
bonds (distance) P-C4' energy: -123.868
flat angles C4'-P-C4' energy: -149.645
flat angles P-C4'-P energy: -88.031
tors. eta vs tors. theta energy: -176.696
Dist. restrs. and SS energy: 12.604 (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: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -2156.865304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.865304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.443294 (E_RNA)
where:
Base-Base interactions energy: -1526.966
where: short stacking energy: -637.989
Base-Backbone interact. energy: -1.396
local terms energy: -641.081325
where:
bonds (distance) C4'-P energy: -128.550
bonds (distance) P-C4' energy: -107.717
flat angles C4'-P-C4' energy: -150.725
flat angles P-C4'-P energy: -70.764
tors. eta vs tors. theta energy: -183.325
Dist. restrs. and SS energy: 12.578 (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: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1917.229294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.229294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.095891 (E_RNA)
where:
Base-Base interactions energy: -1334.019
where: short stacking energy: -548.056
Base-Backbone interact. energy: 1.870
local terms energy: -602.946990
where:
bonds (distance) C4'-P energy: -111.811
bonds (distance) P-C4' energy: -103.349
flat angles C4'-P-C4' energy: -142.191
flat angles P-C4'-P energy: -88.845
tors. eta vs tors. theta energy: -156.751
Dist. restrs. and SS energy: 17.867 (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: 442
Temperature: 0.900000
Total energy: -2807.299212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.299212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.875962 (E_RNA)
where:
Base-Base interactions energy: -1964.046
where: short stacking energy: -820.412
Base-Backbone interact. energy: 1.466
local terms energy: -848.295813
where:
bonds (distance) C4'-P energy: -151.251
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -182.588
flat angles P-C4'-P energy: -122.295
tors. eta vs tors. theta energy: -249.747
Dist. restrs. and SS energy: 3.577 (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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2657.286796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.286796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.375327 (E_RNA)
where:
Base-Base interactions energy: -1848.135
where: short stacking energy: -791.569
Base-Backbone interact. energy: 0.144
local terms energy: -813.383698
where:
bonds (distance) C4'-P energy: -147.577
bonds (distance) P-C4' energy: -145.388
flat angles C4'-P-C4' energy: -164.394
flat angles P-C4'-P energy: -119.645
tors. eta vs tors. theta energy: -236.380
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: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2621.233034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.233034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.606848 (E_RNA)
where:
Base-Base interactions energy: -1836.289
where: short stacking energy: -770.058
Base-Backbone interact. energy: -3.722
local terms energy: -785.596347
where:
bonds (distance) C4'-P energy: -136.678
bonds (distance) P-C4' energy: -153.430
flat angles C4'-P-C4' energy: -154.798
flat angles P-C4'-P energy: -109.417
tors. eta vs tors. theta energy: -231.273
Dist. restrs. and SS energy: 4.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2533.762915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.762915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.572959 (E_RNA)
where:
Base-Base interactions energy: -1804.060
where: short stacking energy: -741.296
Base-Backbone interact. energy: 5.876
local terms energy: -740.389574
where:
bonds (distance) C4'-P energy: -134.819
bonds (distance) P-C4' energy: -125.841
flat angles C4'-P-C4' energy: -166.450
flat angles P-C4'-P energy: -103.613
tors. eta vs tors. theta energy: -209.667
Dist. restrs. and SS energy: 4.810 (S_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: 442
Temperature: 1.100000
Total energy: -2515.568565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.568565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.092132 (E_RNA)
where:
Base-Base interactions energy: -1756.013
where: short stacking energy: -734.622
Base-Backbone interact. energy: -0.764
local terms energy: -762.315296
where:
bonds (distance) C4'-P energy: -135.192
bonds (distance) P-C4' energy: -134.264
flat angles C4'-P-C4' energy: -155.773
flat angles P-C4'-P energy: -111.029
tors. eta vs tors. theta energy: -226.056
Dist. restrs. and SS energy: 3.524 (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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2326.682703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.682703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.384176 (E_RNA)
where:
Base-Base interactions energy: -1636.074
where: short stacking energy: -697.920
Base-Backbone interact. energy: -0.502
local terms energy: -698.808356
where:
bonds (distance) C4'-P energy: -117.147
bonds (distance) P-C4' energy: -134.011
flat angles C4'-P-C4' energy: -137.107
flat angles P-C4'-P energy: -109.216
tors. eta vs tors. theta energy: -201.328
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: 442
Temperature: 1.200000
Total energy: -2322.968767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.968767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.185367 (E_RNA)
where:
Base-Base interactions energy: -1653.333
where: short stacking energy: -677.180
Base-Backbone interact. energy: 0.013
local terms energy: -675.865501
where:
bonds (distance) C4'-P energy: -135.399
bonds (distance) P-C4' energy: -107.197
flat angles C4'-P-C4' energy: -132.251
flat angles P-C4'-P energy: -108.652
tors. eta vs tors. theta energy: -192.367
Dist. restrs. and SS energy: 6.217 (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: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2183.681553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.681553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.313729 (E_RNA)
where:
Base-Base interactions energy: -1526.182
where: short stacking energy: -637.046
Base-Backbone interact. energy: -2.823
local terms energy: -662.309120
where:
bonds (distance) C4'-P energy: -84.403
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -152.646
flat angles P-C4'-P energy: -96.833
tors. eta vs tors. theta energy: -196.637
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -2170.289910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.289910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.727986 (E_RNA)
where:
Base-Base interactions energy: -1535.651
where: short stacking energy: -654.722
Base-Backbone interact. energy: -1.549
local terms energy: -641.527524
where:
bonds (distance) C4'-P energy: -113.203
bonds (distance) P-C4' energy: -132.461
flat angles C4'-P-C4' energy: -130.170
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -187.550
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: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1982.626714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.626714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.217487 (E_RNA)
where:
Base-Base interactions energy: -1416.418
where: short stacking energy: -597.614
Base-Backbone interact. energy: 3.138
local terms energy: -595.937475
where:
bonds (distance) C4'-P energy: -114.707
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -127.186
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -168.993
Dist. restrs. and SS energy: 26.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2786.236741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.236741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.872925 (E_RNA)
where:
Base-Base interactions energy: -1945.545
where: short stacking energy: -833.099
Base-Backbone interact. energy: -0.814
local terms energy: -843.513829
where:
bonds (distance) C4'-P energy: -149.327
bonds (distance) P-C4' energy: -146.821
flat angles C4'-P-C4' energy: -168.152
flat angles P-C4'-P energy: -121.761
tors. eta vs tors. theta energy: -257.453
Dist. restrs. and SS energy: 3.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2688.349542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.349542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.620542 (E_RNA)
where:
Base-Base interactions energy: -1871.193
where: short stacking energy: -772.995
Base-Backbone interact. energy: -6.332
local terms energy: -815.095391
where:
bonds (distance) C4'-P energy: -150.281
bonds (distance) P-C4' energy: -133.863
flat angles C4'-P-C4' energy: -174.814
flat angles P-C4'-P energy: -118.567
tors. eta vs tors. theta energy: -237.570
Dist. restrs. and SS energy: 4.271 (S_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: 443
Temperature: 1.000000
Total energy: -2615.622965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.622965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.562425 (E_RNA)
where:
Base-Base interactions energy: -1840.324
where: short stacking energy: -779.927
Base-Backbone interact. energy: -1.065
local terms energy: -778.173215
where:
bonds (distance) C4'-P energy: -134.685
bonds (distance) P-C4' energy: -144.943
flat angles C4'-P-C4' energy: -156.606
flat angles P-C4'-P energy: -110.771
tors. eta vs tors. theta energy: -231.167
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2529.044442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.044442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.676980 (E_RNA)
where:
Base-Base interactions energy: -1791.988
where: short stacking energy: -763.562
Base-Backbone interact. energy: -4.015
local terms energy: -738.673899
where:
bonds (distance) C4'-P energy: -129.403
bonds (distance) P-C4' energy: -123.163
flat angles C4'-P-C4' energy: -167.946
flat angles P-C4'-P energy: -101.830
tors. eta vs tors. theta energy: -216.332
Dist. restrs. and SS energy: 5.633 (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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2457.888502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.888502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.397390 (E_RNA)
where:
Base-Base interactions energy: -1769.538
where: short stacking energy: -749.562
Base-Backbone interact. energy: 1.462
local terms energy: -692.322171
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -113.957
flat angles C4'-P-C4' energy: -143.107
flat angles P-C4'-P energy: -110.341
tors. eta vs tors. theta energy: -224.916
Dist. restrs. and SS energy: 2.509 (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: 443
Temperature: 1.150000
Total energy: -2358.557230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.557230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.983375 (E_RNA)
where:
Base-Base interactions energy: -1685.661
where: short stacking energy: -685.272
Base-Backbone interact. energy: 4.664
local terms energy: -681.985762
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -125.358
flat angles C4'-P-C4' energy: -156.950
flat angles P-C4'-P energy: -98.711
tors. eta vs tors. theta energy: -196.586
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: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2299.491762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.491762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.978100 (E_RNA)
where:
Base-Base interactions energy: -1642.051
where: short stacking energy: -680.517
Base-Backbone interact. energy: -0.753
local terms energy: -661.173625
where:
bonds (distance) C4'-P energy: -118.490
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -146.002
flat angles P-C4'-P energy: -79.334
tors. eta vs tors. theta energy: -195.169
Dist. restrs. and SS energy: 4.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2189.462653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.462653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.071609 (E_RNA)
where:
Base-Base interactions energy: -1549.248
where: short stacking energy: -610.152
Base-Backbone interact. energy: -1.418
local terms energy: -645.405738
where:
bonds (distance) C4'-P energy: -128.760
bonds (distance) P-C4' energy: -117.980
flat angles C4'-P-C4' energy: -135.505
flat angles P-C4'-P energy: -87.583
tors. eta vs tors. theta energy: -175.578
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: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -2080.970431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.970431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.788379 (E_RNA)
where:
Base-Base interactions energy: -1464.308
where: short stacking energy: -608.914
Base-Backbone interact. energy: -4.824
local terms energy: -619.656648
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -104.503
flat angles C4'-P-C4' energy: -137.645
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -173.277
Dist. restrs. and SS energy: 7.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1916.356701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.356701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.122017 (E_RNA)
where:
Base-Base interactions energy: -1328.944
where: short stacking energy: -572.705
Base-Backbone interact. energy: 3.271
local terms energy: -615.448417
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -126.947
flat angles C4'-P-C4' energy: -132.402
flat angles P-C4'-P energy: -83.383
tors. eta vs tors. theta energy: -159.892
Dist. restrs. and SS energy: 24.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2784.899855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.899855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.612551 (E_RNA)
where:
Base-Base interactions energy: -1935.085
where: short stacking energy: -838.222
Base-Backbone interact. energy: -2.372
local terms energy: -853.155878
where:
bonds (distance) C4'-P energy: -143.738
bonds (distance) P-C4' energy: -152.580
flat angles C4'-P-C4' energy: -177.391
flat angles P-C4'-P energy: -120.938
tors. eta vs tors. theta energy: -258.509
Dist. restrs. and SS energy: 5.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2729.433686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.433686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.504744 (E_RNA)
where:
Base-Base interactions energy: -1943.283
where: short stacking energy: -814.800
Base-Backbone interact. energy: -2.255
local terms energy: -789.966463
where:
bonds (distance) C4'-P energy: -139.271
bonds (distance) P-C4' energy: -131.906
flat angles C4'-P-C4' energy: -166.637
flat angles P-C4'-P energy: -118.656
tors. eta vs tors. theta energy: -233.496
Dist. restrs. and SS energy: 6.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2591.577765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.577765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.576478 (E_RNA)
where:
Base-Base interactions energy: -1821.704
where: short stacking energy: -791.199
Base-Backbone interact. energy: -2.498
local terms energy: -769.374768
where:
bonds (distance) C4'-P energy: -137.143
bonds (distance) P-C4' energy: -141.150
flat angles C4'-P-C4' energy: -153.468
flat angles P-C4'-P energy: -110.831
tors. eta vs tors. theta energy: -226.783
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2539.177005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.177005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.869573 (E_RNA)
where:
Base-Base interactions energy: -1779.686
where: short stacking energy: -742.416
Base-Backbone interact. energy: -1.967
local terms energy: -761.217175
where:
bonds (distance) C4'-P energy: -146.349
bonds (distance) P-C4' energy: -139.235
flat angles C4'-P-C4' energy: -164.115
flat angles P-C4'-P energy: -98.557
tors. eta vs tors. theta energy: -212.961
Dist. restrs. and SS energy: 3.693 (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: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2470.650592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.650592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.273934 (E_RNA)
where:
Base-Base interactions energy: -1736.488
where: short stacking energy: -736.346
Base-Backbone interact. energy: -3.683
local terms energy: -734.103201
where:
bonds (distance) C4'-P energy: -127.061
bonds (distance) P-C4' energy: -129.571
flat angles C4'-P-C4' energy: -158.315
flat angles P-C4'-P energy: -94.600
tors. eta vs tors. theta energy: -224.555
Dist. restrs. and SS energy: 3.623 (S_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: 444
Temperature: 1.150000
Total energy: -2390.011009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.011009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.936348 (E_RNA)
where:
Base-Base interactions energy: -1669.283
where: short stacking energy: -691.902
Base-Backbone interact. energy: 4.540
local terms energy: -729.193511
where:
bonds (distance) C4'-P energy: -143.136
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -155.716
flat angles P-C4'-P energy: -91.079
tors. eta vs tors. theta energy: -205.572
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2307.319110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.774248 (E_RNA)
where:
Base-Base interactions energy: -1645.626
where: short stacking energy: -686.766
Base-Backbone interact. energy: -3.372
local terms energy: -669.775923
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -113.993
flat angles C4'-P-C4' energy: -145.963
flat angles P-C4'-P energy: -75.993
tors. eta vs tors. theta energy: -205.104
Dist. restrs. and SS energy: 11.455 (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: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2174.884321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.884321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.478578 (E_RNA)
where:
Base-Base interactions energy: -1571.565
where: short stacking energy: -626.384
Base-Backbone interact. energy: 0.436
local terms energy: -613.349824
where:
bonds (distance) C4'-P energy: -98.258
bonds (distance) P-C4' energy: -100.770
flat angles C4'-P-C4' energy: -125.764
flat angles P-C4'-P energy: -107.094
tors. eta vs tors. theta energy: -181.463
Dist. restrs. and SS energy: 9.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -2066.931695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.931695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.935203 (E_RNA)
where:
Base-Base interactions energy: -1443.755
where: short stacking energy: -584.564
Base-Backbone interact. energy: -2.674
local terms energy: -633.506455
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -133.438
flat angles C4'-P-C4' energy: -135.273
flat angles P-C4'-P energy: -69.152
tors. eta vs tors. theta energy: -181.934
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: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1965.584935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.584935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.772606 (E_RNA)
where:
Base-Base interactions energy: -1375.384
where: short stacking energy: -570.244
Base-Backbone interact. energy: 0.316
local terms energy: -612.704216
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -118.715
flat angles C4'-P-C4' energy: -128.358
flat angles P-C4'-P energy: -100.964
tors. eta vs tors. theta energy: -161.812
Dist. restrs. and SS energy: 22.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2758.506536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.506536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.797341 (E_RNA)
where:
Base-Base interactions energy: -1923.337
where: short stacking energy: -812.527
Base-Backbone interact. energy: -2.527
local terms energy: -834.933411
where:
bonds (distance) C4'-P energy: -135.568
bonds (distance) P-C4' energy: -156.014
flat angles C4'-P-C4' energy: -171.260
flat angles P-C4'-P energy: -119.907
tors. eta vs tors. theta energy: -252.185
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2678.100622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.100622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.217380 (E_RNA)
where:
Base-Base interactions energy: -1892.479
where: short stacking energy: -798.000
Base-Backbone interact. energy: -3.187
local terms energy: -786.551600
where:
bonds (distance) C4'-P energy: -137.977
bonds (distance) P-C4' energy: -142.477
flat angles C4'-P-C4' energy: -156.075
flat angles P-C4'-P energy: -109.928
tors. eta vs tors. theta energy: -240.095
Dist. restrs. and SS energy: 4.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2561.073655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.073655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.474595 (E_RNA)
where:
Base-Base interactions energy: -1815.446
where: short stacking energy: -776.323
Base-Backbone interact. energy: -3.703
local terms energy: -749.325083
where:
bonds (distance) C4'-P energy: -133.893
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -160.621
flat angles P-C4'-P energy: -108.776
tors. eta vs tors. theta energy: -225.898
Dist. restrs. and SS energy: 7.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2577.736179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.736179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.363664 (E_RNA)
where:
Base-Base interactions energy: -1798.673
where: short stacking energy: -760.965
Base-Backbone interact. energy: 2.954
local terms energy: -786.643992
where:
bonds (distance) C4'-P energy: -131.428
bonds (distance) P-C4' energy: -140.880
flat angles C4'-P-C4' energy: -171.089
flat angles P-C4'-P energy: -110.652
tors. eta vs tors. theta energy: -232.595
Dist. restrs. and SS energy: 4.627 (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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2487.463368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.463368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.438006 (E_RNA)
where:
Base-Base interactions energy: -1759.265
where: short stacking energy: -742.378
Base-Backbone interact. energy: -4.465
local terms energy: -731.707545
where:
bonds (distance) C4'-P energy: -134.652
bonds (distance) P-C4' energy: -115.875
flat angles C4'-P-C4' energy: -162.949
flat angles P-C4'-P energy: -100.111
tors. eta vs tors. theta energy: -218.121
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: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2384.872328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.872328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.148269 (E_RNA)
where:
Base-Base interactions energy: -1687.285
where: short stacking energy: -695.271
Base-Backbone interact. energy: -0.423
local terms energy: -707.440132
where:
bonds (distance) C4'-P energy: -136.960
bonds (distance) P-C4' energy: -129.046
flat angles C4'-P-C4' energy: -141.065
flat angles P-C4'-P energy: -99.264
tors. eta vs tors. theta energy: -201.106
Dist. restrs. and SS energy: 10.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2339.904847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.904847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.456224 (E_RNA)
where:
Base-Base interactions energy: -1671.605
where: short stacking energy: -703.949
Base-Backbone interact. energy: 1.943
local terms energy: -672.793361
where:
bonds (distance) C4'-P energy: -95.330
bonds (distance) P-C4' energy: -128.155
flat angles C4'-P-C4' energy: -141.390
flat angles P-C4'-P energy: -98.076
tors. eta vs tors. theta energy: -209.841
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2206.380161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.380161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.387925 (E_RNA)
where:
Base-Base interactions energy: -1602.501
where: short stacking energy: -655.808
Base-Backbone interact. energy: -4.418
local terms energy: -607.468636
where:
bonds (distance) C4'-P energy: -110.979
bonds (distance) P-C4' energy: -104.150
flat angles C4'-P-C4' energy: -137.049
flat angles P-C4'-P energy: -75.862
tors. eta vs tors. theta energy: -179.428
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: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -2065.096739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.096739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.670719 (E_RNA)
where:
Base-Base interactions energy: -1473.540
where: short stacking energy: -614.829
Base-Backbone interact. energy: -1.187
local terms energy: -600.943382
where:
bonds (distance) C4'-P energy: -110.196
bonds (distance) P-C4' energy: -108.143
flat angles C4'-P-C4' energy: -131.570
flat angles P-C4'-P energy: -68.144
tors. eta vs tors. theta energy: -182.890
Dist. restrs. and SS energy: 10.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1917.634677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.634677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.478362 (E_RNA)
where:
Base-Base interactions energy: -1358.913
where: short stacking energy: -590.451
Base-Backbone interact. energy: -2.261
local terms energy: -577.304804
where:
bonds (distance) C4'-P energy: -97.758
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -138.987
flat angles P-C4'-P energy: -60.468
tors. eta vs tors. theta energy: -164.836
Dist. restrs. and SS energy: 20.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2809.242254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.242254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.738954 (E_RNA)
where:
Base-Base interactions energy: -1955.219
where: short stacking energy: -864.370
Base-Backbone interact. energy: -2.451
local terms energy: -855.068878
where:
bonds (distance) C4'-P energy: -149.846
bonds (distance) P-C4' energy: -148.865
flat angles C4'-P-C4' energy: -173.652
flat angles P-C4'-P energy: -119.540
tors. eta vs tors. theta energy: -263.166
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2697.882878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.882878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.836993 (E_RNA)
where:
Base-Base interactions energy: -1892.316
where: short stacking energy: -791.180
Base-Backbone interact. energy: -8.452
local terms energy: -802.068157
where:
bonds (distance) C4'-P energy: -134.115
bonds (distance) P-C4' energy: -133.398
flat angles C4'-P-C4' energy: -181.369
flat angles P-C4'-P energy: -124.119
tors. eta vs tors. theta energy: -229.067
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: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2594.526266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.526266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.700018 (E_RNA)
where:
Base-Base interactions energy: -1811.916
where: short stacking energy: -757.375
Base-Backbone interact. energy: -0.626
local terms energy: -784.158199
where:
bonds (distance) C4'-P energy: -146.979
bonds (distance) P-C4' energy: -130.301
flat angles C4'-P-C4' energy: -166.384
flat angles P-C4'-P energy: -109.806
tors. eta vs tors. theta energy: -230.689
Dist. restrs. and SS energy: 2.174 (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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2563.839790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.839790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.454743 (E_RNA)
where:
Base-Base interactions energy: -1789.867
where: short stacking energy: -741.613
Base-Backbone interact. energy: -5.143
local terms energy: -772.445258
where:
bonds (distance) C4'-P energy: -134.787
bonds (distance) P-C4' energy: -148.967
flat angles C4'-P-C4' energy: -160.611
flat angles P-C4'-P energy: -106.951
tors. eta vs tors. theta energy: -221.130
Dist. restrs. and SS energy: 3.615 (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: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2495.723534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.503839 (E_RNA)
where:
Base-Base interactions energy: -1783.958
where: short stacking energy: -721.318
Base-Backbone interact. energy: -5.690
local terms energy: -710.855742
where:
bonds (distance) C4'-P energy: -128.346
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -143.132
flat angles P-C4'-P energy: -102.476
tors. eta vs tors. theta energy: -208.350
Dist. restrs. and SS energy: 4.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2368.027065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.027065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.806187 (E_RNA)
where:
Base-Base interactions energy: -1655.341
where: short stacking energy: -670.593
Base-Backbone interact. energy: -0.543
local terms energy: -719.922760
where:
bonds (distance) C4'-P energy: -141.335
bonds (distance) P-C4' energy: -137.293
flat angles C4'-P-C4' energy: -144.301
flat angles P-C4'-P energy: -99.249
tors. eta vs tors. theta energy: -197.745
Dist. restrs. and SS energy: 7.779 (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: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2312.619710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.619710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.487000 (E_RNA)
where:
Base-Base interactions energy: -1642.791
where: short stacking energy: -684.921
Base-Backbone interact. energy: -1.500
local terms energy: -676.196095
where:
bonds (distance) C4'-P energy: -128.120
bonds (distance) P-C4' energy: -108.266
flat angles C4'-P-C4' energy: -146.273
flat angles P-C4'-P energy: -91.129
tors. eta vs tors. theta energy: -202.409
Dist. restrs. and SS energy: 7.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2179.319751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.319751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.810686 (E_RNA)
where:
Base-Base interactions energy: -1520.292
where: short stacking energy: -606.105
Base-Backbone interact. energy: -2.230
local terms energy: -666.288640
where:
bonds (distance) C4'-P energy: -116.203
bonds (distance) P-C4' energy: -127.129
flat angles C4'-P-C4' energy: -133.782
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -199.069
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -2093.788776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.788776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.210908 (E_RNA)
where:
Base-Base interactions energy: -1476.819
where: short stacking energy: -600.682
Base-Backbone interact. energy: 1.088
local terms energy: -627.479958
where:
bonds (distance) C4'-P energy: -107.504
bonds (distance) P-C4' energy: -118.608
flat angles C4'-P-C4' energy: -145.436
flat angles P-C4'-P energy: -83.370
tors. eta vs tors. theta energy: -172.562
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: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1953.830235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.830235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.394571 (E_RNA)
where:
Base-Base interactions energy: -1406.589
where: short stacking energy: -562.032
Base-Backbone interact. energy: -2.260
local terms energy: -566.545867
where:
bonds (distance) C4'-P energy: -113.504
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -110.456
flat angles P-C4'-P energy: -84.062
tors. eta vs tors. theta energy: -150.916
Dist. restrs. and SS energy: 21.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2803.282402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.282402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.754096 (E_RNA)
where:
Base-Base interactions energy: -1951.879
where: short stacking energy: -841.145
Base-Backbone interact. energy: -2.700
local terms energy: -852.175067
where:
bonds (distance) C4'-P energy: -149.648
bonds (distance) P-C4' energy: -153.063
flat angles C4'-P-C4' energy: -174.907
flat angles P-C4'-P energy: -119.356
tors. eta vs tors. theta energy: -255.201
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2667.702514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.702514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.600663 (E_RNA)
where:
Base-Base interactions energy: -1875.795
where: short stacking energy: -775.728
Base-Backbone interact. energy: -1.135
local terms energy: -793.670623
where:
bonds (distance) C4'-P energy: -145.961
bonds (distance) P-C4' energy: -154.170
flat angles C4'-P-C4' energy: -154.335
flat angles P-C4'-P energy: -109.322
tors. eta vs tors. theta energy: -229.883
Dist. restrs. and SS energy: 2.898 (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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2630.604643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.604643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.766839 (E_RNA)
where:
Base-Base interactions energy: -1843.873
where: short stacking energy: -802.880
Base-Backbone interact. energy: -1.613
local terms energy: -788.280809
where:
bonds (distance) C4'-P energy: -127.455
bonds (distance) P-C4' energy: -143.764
flat angles C4'-P-C4' energy: -169.727
flat angles P-C4'-P energy: -111.928
tors. eta vs tors. theta energy: -235.407
Dist. restrs. and SS energy: 3.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2578.256372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.256372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.378320 (E_RNA)
where:
Base-Base interactions energy: -1803.791
where: short stacking energy: -769.554
Base-Backbone interact. energy: 5.726
local terms energy: -784.313558
where:
bonds (distance) C4'-P energy: -147.038
bonds (distance) P-C4' energy: -139.767
flat angles C4'-P-C4' energy: -148.588
flat angles P-C4'-P energy: -110.923
tors. eta vs tors. theta energy: -237.998
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2453.895709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.895709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.165616 (E_RNA)
where:
Base-Base interactions energy: -1724.543
where: short stacking energy: -716.466
Base-Backbone interact. energy: -6.277
local terms energy: -726.345733
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -143.683
flat angles C4'-P-C4' energy: -167.208
flat angles P-C4'-P energy: -99.142
tors. eta vs tors. theta energy: -210.488
Dist. restrs. and SS energy: 3.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2345.881470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.881470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.731351 (E_RNA)
where:
Base-Base interactions energy: -1680.889
where: short stacking energy: -675.770
Base-Backbone interact. energy: 2.625
local terms energy: -672.467077
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -135.384
flat angles C4'-P-C4' energy: -140.835
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -199.915
Dist. restrs. and SS energy: 4.850 (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: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2308.668477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.668477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.529395 (E_RNA)
where:
Base-Base interactions energy: -1660.085
where: short stacking energy: -712.652
Base-Backbone interact. energy: 5.903
local terms energy: -660.347894
where:
bonds (distance) C4'-P energy: -123.241
bonds (distance) P-C4' energy: -114.360
flat angles C4'-P-C4' energy: -135.317
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -197.176
Dist. restrs. and SS energy: 5.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2168.009671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.009671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.861320 (E_RNA)
where:
Base-Base interactions energy: -1512.933
where: short stacking energy: -593.974
Base-Backbone interact. energy: 0.663
local terms energy: -662.590949
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -132.902
flat angles C4'-P-C4' energy: -150.658
flat angles P-C4'-P energy: -100.486
tors. eta vs tors. theta energy: -178.714
Dist. restrs. and SS energy: 6.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -2114.648112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.648112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.195409 (E_RNA)
where:
Base-Base interactions energy: -1509.127
where: short stacking energy: -599.936
Base-Backbone interact. energy: -3.651
local terms energy: -613.417331
where:
bonds (distance) C4'-P energy: -102.881
bonds (distance) P-C4' energy: -114.993
flat angles C4'-P-C4' energy: -125.967
flat angles P-C4'-P energy: -88.233
tors. eta vs tors. theta energy: -181.343
Dist. restrs. and SS energy: 11.547 (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: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1853.526955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.526955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.489239 (E_RNA)
where:
Base-Base interactions energy: -1314.241
where: short stacking energy: -542.171
Base-Backbone interact. energy: -4.480
local terms energy: -566.769007
where:
bonds (distance) C4'-P energy: -113.671
bonds (distance) P-C4' energy: -107.031
flat angles C4'-P-C4' energy: -125.856
flat angles P-C4'-P energy: -74.482
tors. eta vs tors. theta energy: -145.729
Dist. restrs. and SS energy: 31.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2786.419172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.419172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.884089 (E_RNA)
where:
Base-Base interactions energy: -1932.183
where: short stacking energy: -820.736
Base-Backbone interact. energy: -3.565
local terms energy: -855.136216
where:
bonds (distance) C4'-P energy: -152.404
bonds (distance) P-C4' energy: -158.467
flat angles C4'-P-C4' energy: -169.030
flat angles P-C4'-P energy: -119.245
tors. eta vs tors. theta energy: -255.991
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2668.321372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.321372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.590891 (E_RNA)
where:
Base-Base interactions energy: -1870.329
where: short stacking energy: -785.832
Base-Backbone interact. energy: -0.871
local terms energy: -800.391265
where:
bonds (distance) C4'-P energy: -142.183
bonds (distance) P-C4' energy: -148.057
flat angles C4'-P-C4' energy: -166.346
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -242.482
Dist. restrs. and SS energy: 3.270 (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: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2627.327150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.327150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.181651 (E_RNA)
where:
Base-Base interactions energy: -1809.827
where: short stacking energy: -777.536
Base-Backbone interact. energy: -4.561
local terms energy: -815.793300
where:
bonds (distance) C4'-P energy: -128.375
bonds (distance) P-C4' energy: -142.354
flat angles C4'-P-C4' energy: -171.153
flat angles P-C4'-P energy: -130.987
tors. eta vs tors. theta energy: -242.925
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2554.749084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.749084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.070385 (E_RNA)
where:
Base-Base interactions energy: -1809.355
where: short stacking energy: -784.177
Base-Backbone interact. energy: -3.242
local terms energy: -746.473376
where:
bonds (distance) C4'-P energy: -124.774
bonds (distance) P-C4' energy: -143.366
flat angles C4'-P-C4' energy: -145.507
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -229.716
Dist. restrs. and SS energy: 4.321 (S_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: 448
Temperature: 1.100000
Total energy: -2469.322374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.322374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.856695 (E_RNA)
where:
Base-Base interactions energy: -1781.631
where: short stacking energy: -751.374
Base-Backbone interact. energy: -4.303
local terms energy: -689.923099
where:
bonds (distance) C4'-P energy: -114.921
bonds (distance) P-C4' energy: -125.344
flat angles C4'-P-C4' energy: -152.182
flat angles P-C4'-P energy: -91.199
tors. eta vs tors. theta energy: -206.277
Dist. restrs. and SS energy: 6.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2366.367742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.367742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.167595 (E_RNA)
where:
Base-Base interactions energy: -1671.778
where: short stacking energy: -696.557
Base-Backbone interact. energy: 0.187
local terms energy: -699.575857
where:
bonds (distance) C4'-P energy: -135.882
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -147.672
flat angles P-C4'-P energy: -93.101
tors. eta vs tors. theta energy: -198.013
Dist. restrs. and SS energy: 4.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2310.909914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.909914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.118482 (E_RNA)
where:
Base-Base interactions energy: -1639.779
where: short stacking energy: -681.591
Base-Backbone interact. energy: -0.577
local terms energy: -674.762414
where:
bonds (distance) C4'-P energy: -111.187
bonds (distance) P-C4' energy: -128.624
flat angles C4'-P-C4' energy: -141.192
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -197.975
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2189.189921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.035835 (E_RNA)
where:
Base-Base interactions energy: -1521.649
where: short stacking energy: -660.774
Base-Backbone interact. energy: -3.373
local terms energy: -674.013746
where:
bonds (distance) C4'-P energy: -128.756
bonds (distance) P-C4' energy: -110.686
flat angles C4'-P-C4' energy: -141.099
flat angles P-C4'-P energy: -91.928
tors. eta vs tors. theta energy: -201.546
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: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -2126.597561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.597561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.381099 (E_RNA)
where:
Base-Base interactions energy: -1533.072
where: short stacking energy: -634.277
Base-Backbone interact. energy: -1.915
local terms energy: -608.393961
where:
bonds (distance) C4'-P energy: -118.212
bonds (distance) P-C4' energy: -106.595
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -72.279
tors. eta vs tors. theta energy: -189.952
Dist. restrs. and SS energy: 16.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1868.851251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.851251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.872225 (E_RNA)
where:
Base-Base interactions energy: -1313.686
where: short stacking energy: -535.160
Base-Backbone interact. energy: -1.303
local terms energy: -576.883834
where:
bonds (distance) C4'-P energy: -124.805
bonds (distance) P-C4' energy: -86.464
flat angles C4'-P-C4' energy: -148.225
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -139.526
Dist. restrs. and SS energy: 23.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2814.852410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.852410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.994618 (E_RNA)
where:
Base-Base interactions energy: -1971.923
where: short stacking energy: -851.805
Base-Backbone interact. energy: -0.850
local terms energy: -845.221562
where:
bonds (distance) C4'-P energy: -145.155
bonds (distance) P-C4' energy: -141.677
flat angles C4'-P-C4' energy: -176.411
flat angles P-C4'-P energy: -119.903
tors. eta vs tors. theta energy: -262.075
Dist. restrs. and SS energy: 3.142 (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: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2661.329691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.329691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.787667 (E_RNA)
where:
Base-Base interactions energy: -1837.807
where: short stacking energy: -787.992
Base-Backbone interact. energy: -2.896
local terms energy: -823.084973
where:
bonds (distance) C4'-P energy: -139.690
bonds (distance) P-C4' energy: -157.505
flat angles C4'-P-C4' energy: -168.759
flat angles P-C4'-P energy: -108.333
tors. eta vs tors. theta energy: -248.798
Dist. restrs. and SS energy: 2.458 (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: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2613.148903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.148903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.823432 (E_RNA)
where:
Base-Base interactions energy: -1828.942
where: short stacking energy: -751.776
Base-Backbone interact. energy: -5.885
local terms energy: -782.996015
where:
bonds (distance) C4'-P energy: -146.143
bonds (distance) P-C4' energy: -142.929
flat angles C4'-P-C4' energy: -154.064
flat angles P-C4'-P energy: -116.291
tors. eta vs tors. theta energy: -223.569
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2557.843238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.843238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.590070 (E_RNA)
where:
Base-Base interactions energy: -1801.475
where: short stacking energy: -768.283
Base-Backbone interact. energy: 0.703
local terms energy: -761.817377
where:
bonds (distance) C4'-P energy: -115.148
bonds (distance) P-C4' energy: -140.654
flat angles C4'-P-C4' energy: -167.162
flat angles P-C4'-P energy: -109.060
tors. eta vs tors. theta energy: -229.793
Dist. restrs. and SS energy: 4.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2493.848077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.848077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.646184 (E_RNA)
where:
Base-Base interactions energy: -1764.815
where: short stacking energy: -741.500
Base-Backbone interact. energy: 2.604
local terms energy: -735.434881
where:
bonds (distance) C4'-P energy: -127.617
bonds (distance) P-C4' energy: -127.724
flat angles C4'-P-C4' energy: -160.317
flat angles P-C4'-P energy: -102.097
tors. eta vs tors. theta energy: -217.680
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2400.668449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.668449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.379711 (E_RNA)
where:
Base-Base interactions energy: -1710.675
where: short stacking energy: -712.290
Base-Backbone interact. energy: 4.650
local terms energy: -702.354683
where:
bonds (distance) C4'-P energy: -131.805
bonds (distance) P-C4' energy: -128.195
flat angles C4'-P-C4' energy: -143.386
flat angles P-C4'-P energy: -84.701
tors. eta vs tors. theta energy: -214.268
Dist. restrs. and SS energy: 7.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2325.176174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.176174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.864280 (E_RNA)
where:
Base-Base interactions energy: -1650.595
where: short stacking energy: -682.437
Base-Backbone interact. energy: 0.710
local terms energy: -679.979248
where:
bonds (distance) C4'-P energy: -115.304
bonds (distance) P-C4' energy: -130.300
flat angles C4'-P-C4' energy: -135.269
flat angles P-C4'-P energy: -106.395
tors. eta vs tors. theta energy: -192.711
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: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2186.113101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.113101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.282409 (E_RNA)
where:
Base-Base interactions energy: -1559.694
where: short stacking energy: -641.251
Base-Backbone interact. energy: -0.471
local terms energy: -634.116653
where:
bonds (distance) C4'-P energy: -94.238
bonds (distance) P-C4' energy: -119.006
flat angles C4'-P-C4' energy: -132.309
flat angles P-C4'-P energy: -99.850
tors. eta vs tors. theta energy: -188.714
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: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -2119.025996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.995030 (E_RNA)
where:
Base-Base interactions energy: -1481.076
where: short stacking energy: -603.944
Base-Backbone interact. energy: 1.538
local terms energy: -653.457738
where:
bonds (distance) C4'-P energy: -124.267
bonds (distance) P-C4' energy: -119.257
flat angles C4'-P-C4' energy: -135.989
flat angles P-C4'-P energy: -70.397
tors. eta vs tors. theta energy: -203.547
Dist. restrs. and SS energy: 13.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1913.132939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.132939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.633424 (E_RNA)
where:
Base-Base interactions energy: -1326.391
where: short stacking energy: -527.464
Base-Backbone interact. energy: -2.716
local terms energy: -615.526028
where:
bonds (distance) C4'-P energy: -111.657
bonds (distance) P-C4' energy: -128.902
flat angles C4'-P-C4' energy: -146.383
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -158.131
Dist. restrs. and SS energy: 31.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2812.702387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.702387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.402106 (E_RNA)
where:
Base-Base interactions energy: -1970.278
where: short stacking energy: -858.416
Base-Backbone interact. energy: -3.060
local terms energy: -841.063244
where:
bonds (distance) C4'-P energy: -149.352
bonds (distance) P-C4' energy: -147.871
flat angles C4'-P-C4' energy: -167.638
flat angles P-C4'-P energy: -117.196
tors. eta vs tors. theta energy: -259.006
Dist. restrs. and SS energy: 1.700 (S_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: 450
Temperature: 0.950000
Total energy: -2700.329294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.329294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.842219 (E_RNA)
where:
Base-Base interactions energy: -1876.648
where: short stacking energy: -798.761
Base-Backbone interact. energy: -5.738
local terms energy: -822.456517
where:
bonds (distance) C4'-P energy: -132.624
bonds (distance) P-C4' energy: -150.502
flat angles C4'-P-C4' energy: -174.562
flat angles P-C4'-P energy: -121.043
tors. eta vs tors. theta energy: -243.726
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: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2634.244072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.244072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.568287 (E_RNA)
where:
Base-Base interactions energy: -1853.544
where: short stacking energy: -770.491
Base-Backbone interact. energy: 1.431
local terms energy: -787.455833
where:
bonds (distance) C4'-P energy: -133.197
bonds (distance) P-C4' energy: -148.644
flat angles C4'-P-C4' energy: -157.489
flat angles P-C4'-P energy: -113.753
tors. eta vs tors. theta energy: -234.374
Dist. restrs. and SS energy: 5.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2530.580307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.580307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.685783 (E_RNA)
where:
Base-Base interactions energy: -1781.691
where: short stacking energy: -743.348
Base-Backbone interact. energy: -3.408
local terms energy: -749.586843
where:
bonds (distance) C4'-P energy: -126.791
bonds (distance) P-C4' energy: -140.399
flat angles C4'-P-C4' energy: -159.568
flat angles P-C4'-P energy: -86.705
tors. eta vs tors. theta energy: -236.124
Dist. restrs. and SS energy: 4.105 (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: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2504.873120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.873120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.782243 (E_RNA)
where:
Base-Base interactions energy: -1783.230
where: short stacking energy: -756.793
Base-Backbone interact. energy: 1.083
local terms energy: -727.635654
where:
bonds (distance) C4'-P energy: -119.990
bonds (distance) P-C4' energy: -114.962
flat angles C4'-P-C4' energy: -159.388
flat angles P-C4'-P energy: -99.380
tors. eta vs tors. theta energy: -233.916
Dist. restrs. and SS energy: 4.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2397.820605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.820605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.112022 (E_RNA)
where:
Base-Base interactions energy: -1676.751
where: short stacking energy: -695.269
Base-Backbone interact. energy: -0.384
local terms energy: -729.977515
where:
bonds (distance) C4'-P energy: -127.891
bonds (distance) P-C4' energy: -138.801
flat angles C4'-P-C4' energy: -152.236
flat angles P-C4'-P energy: -99.524
tors. eta vs tors. theta energy: -211.525
Dist. restrs. and SS energy: 9.291 (S_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: 450
Temperature: 1.200000
Total energy: -2298.803571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.803571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.819843 (E_RNA)
where:
Base-Base interactions energy: -1652.657
where: short stacking energy: -677.251
Base-Backbone interact. energy: -0.158
local terms energy: -653.004776
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -116.752
flat angles C4'-P-C4' energy: -133.371
flat angles P-C4'-P energy: -101.329
tors. eta vs tors. theta energy: -198.919
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: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2152.128018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.128018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.457932 (E_RNA)
where:
Base-Base interactions energy: -1539.598
where: short stacking energy: -645.216
Base-Backbone interact. energy: -1.098
local terms energy: -623.761695
where:
bonds (distance) C4'-P energy: -111.754
bonds (distance) P-C4' energy: -112.432
flat angles C4'-P-C4' energy: -136.144
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -181.221
Dist. restrs. and SS energy: 12.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -2111.679720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.679720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.806053 (E_RNA)
where:
Base-Base interactions energy: -1461.403
where: short stacking energy: -593.439
Base-Backbone interact. energy: -1.862
local terms energy: -655.541248
where:
bonds (distance) C4'-P energy: -121.077
bonds (distance) P-C4' energy: -117.852
flat angles C4'-P-C4' energy: -142.696
flat angles P-C4'-P energy: -102.709
tors. eta vs tors. theta energy: -171.206
Dist. restrs. and SS energy: 7.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1981.776423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.776423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.895182 (E_RNA)
where:
Base-Base interactions energy: -1427.048
where: short stacking energy: -583.566
Base-Backbone interact. energy: 2.187
local terms energy: -580.034645
where:
bonds (distance) C4'-P energy: -83.674
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -136.812
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: -164.445
Dist. restrs. and SS energy: 23.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2801.881368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.881368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.776129 (E_RNA)
where:
Base-Base interactions energy: -1963.314
where: short stacking energy: -829.194
Base-Backbone interact. energy: -2.737
local terms energy: -840.725319
where:
bonds (distance) C4'-P energy: -154.518
bonds (distance) P-C4' energy: -140.073
flat angles C4'-P-C4' energy: -164.233
flat angles P-C4'-P energy: -130.685
tors. eta vs tors. theta energy: -251.217
Dist. restrs. and SS energy: 4.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2667.351678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.351678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.328457 (E_RNA)
where:
Base-Base interactions energy: -1860.216
where: short stacking energy: -777.631
Base-Backbone interact. energy: -0.109
local terms energy: -812.002564
where:
bonds (distance) C4'-P energy: -137.562
bonds (distance) P-C4' energy: -149.262
flat angles C4'-P-C4' energy: -162.406
flat angles P-C4'-P energy: -119.610
tors. eta vs tors. theta energy: -243.162
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2620.704413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.704413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.120568 (E_RNA)
where:
Base-Base interactions energy: -1847.952
where: short stacking energy: -798.583
Base-Backbone interact. energy: -4.677
local terms energy: -772.492095
where:
bonds (distance) C4'-P energy: -133.957
bonds (distance) P-C4' energy: -136.773
flat angles C4'-P-C4' energy: -164.407
flat angles P-C4'-P energy: -101.159
tors. eta vs tors. theta energy: -236.197
Dist. restrs. and SS energy: 4.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2530.892450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.892450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.119195 (E_RNA)
where:
Base-Base interactions energy: -1763.430
where: short stacking energy: -730.070
Base-Backbone interact. energy: -1.094
local terms energy: -769.595515
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -151.863
flat angles C4'-P-C4' energy: -150.478
flat angles P-C4'-P energy: -108.628
tors. eta vs tors. theta energy: -225.800
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: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2464.884390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.884390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.762471 (E_RNA)
where:
Base-Base interactions energy: -1738.811
where: short stacking energy: -749.252
Base-Backbone interact. energy: -0.772
local terms energy: -731.179582
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -137.429
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -114.720
tors. eta vs tors. theta energy: -213.151
Dist. restrs. and SS energy: 5.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2372.954688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.954688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.873896 (E_RNA)
where:
Base-Base interactions energy: -1666.375
where: short stacking energy: -691.457
Base-Backbone interact. energy: 2.490
local terms energy: -714.988705
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -162.151
flat angles P-C4'-P energy: -103.258
tors. eta vs tors. theta energy: -206.256
Dist. restrs. and SS energy: 5.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2250.064385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.064385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.687426 (E_RNA)
where:
Base-Base interactions energy: -1612.028
where: short stacking energy: -654.681
Base-Backbone interact. energy: -0.506
local terms energy: -644.153712
where:
bonds (distance) C4'-P energy: -114.037
bonds (distance) P-C4' energy: -107.712
flat angles C4'-P-C4' energy: -141.710
flat angles P-C4'-P energy: -84.180
tors. eta vs tors. theta energy: -196.515
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: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2204.753536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.753536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.381387 (E_RNA)
where:
Base-Base interactions energy: -1555.815
where: short stacking energy: -645.731
Base-Backbone interact. energy: 0.639
local terms energy: -654.205889
where:
bonds (distance) C4'-P energy: -109.166
bonds (distance) P-C4' energy: -134.557
flat angles C4'-P-C4' energy: -144.171
flat angles P-C4'-P energy: -80.624
tors. eta vs tors. theta energy: -185.687
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -2096.918162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.918162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.654776 (E_RNA)
where:
Base-Base interactions energy: -1469.621
where: short stacking energy: -595.978
Base-Backbone interact. energy: -4.020
local terms energy: -634.014077
where:
bonds (distance) C4'-P energy: -122.645
bonds (distance) P-C4' energy: -117.375
flat angles C4'-P-C4' energy: -127.165
flat angles P-C4'-P energy: -85.301
tors. eta vs tors. theta energy: -181.528
Dist. restrs. and SS energy: 10.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1929.121026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.121026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.540431 (E_RNA)
where:
Base-Base interactions energy: -1354.518
where: short stacking energy: -543.293
Base-Backbone interact. energy: -4.019
local terms energy: -596.003612
where:
bonds (distance) C4'-P energy: -109.510
bonds (distance) P-C4' energy: -115.936
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -91.183
tors. eta vs tors. theta energy: -147.346
Dist. restrs. and SS energy: 25.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2824.437353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.437353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.702409 (E_RNA)
where:
Base-Base interactions energy: -1965.453
where: short stacking energy: -840.031
Base-Backbone interact. energy: -2.588
local terms energy: -858.662182
where:
bonds (distance) C4'-P energy: -148.793
bonds (distance) P-C4' energy: -147.539
flat angles C4'-P-C4' energy: -175.963
flat angles P-C4'-P energy: -126.473
tors. eta vs tors. theta energy: -259.894
Dist. restrs. and SS energy: 2.265 (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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2685.404672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.404672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.328149 (E_RNA)
where:
Base-Base interactions energy: -1872.051
where: short stacking energy: -777.408
Base-Backbone interact. energy: -5.308
local terms energy: -812.969073
where:
bonds (distance) C4'-P energy: -143.870
bonds (distance) P-C4' energy: -146.946
flat angles C4'-P-C4' energy: -164.077
flat angles P-C4'-P energy: -115.547
tors. eta vs tors. theta energy: -242.528
Dist. restrs. and SS energy: 4.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2625.275771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.275771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.534862 (E_RNA)
where:
Base-Base interactions energy: -1842.233
where: short stacking energy: -782.541
Base-Backbone interact. energy: -2.502
local terms energy: -783.799922
where:
bonds (distance) C4'-P energy: -136.604
bonds (distance) P-C4' energy: -136.064
flat angles C4'-P-C4' energy: -165.344
flat angles P-C4'-P energy: -117.883
tors. eta vs tors. theta energy: -227.905
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2562.331293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.331293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.313064 (E_RNA)
where:
Base-Base interactions energy: -1788.221
where: short stacking energy: -760.667
Base-Backbone interact. energy: -0.214
local terms energy: -778.878028
where:
bonds (distance) C4'-P energy: -146.633
bonds (distance) P-C4' energy: -127.323
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -109.537
tors. eta vs tors. theta energy: -231.108
Dist. restrs. and SS energy: 4.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2474.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.175862 (E_RNA)
where:
Base-Base interactions energy: -1751.713
where: short stacking energy: -731.501
Base-Backbone interact. energy: -3.200
local terms energy: -731.262592
where:
bonds (distance) C4'-P energy: -117.072
bonds (distance) P-C4' energy: -132.229
flat angles C4'-P-C4' energy: -155.099
flat angles P-C4'-P energy: -110.034
tors. eta vs tors. theta energy: -216.828
Dist. restrs. and SS energy: 12.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2418.022764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.582783 (E_RNA)
where:
Base-Base interactions energy: -1712.919
where: short stacking energy: -731.414
Base-Backbone interact. energy: 1.960
local terms energy: -711.623611
where:
bonds (distance) C4'-P energy: -136.688
bonds (distance) P-C4' energy: -117.619
flat angles C4'-P-C4' energy: -151.906
flat angles P-C4'-P energy: -83.720
tors. eta vs tors. theta energy: -221.690
Dist. restrs. and SS energy: 4.560 (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: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2317.596619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.596619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.949940 (E_RNA)
where:
Base-Base interactions energy: -1643.015
where: short stacking energy: -678.713
Base-Backbone interact. energy: -1.345
local terms energy: -681.589969
where:
bonds (distance) C4'-P energy: -118.332
bonds (distance) P-C4' energy: -123.574
flat angles C4'-P-C4' energy: -148.381
flat angles P-C4'-P energy: -93.672
tors. eta vs tors. theta energy: -197.630
Dist. restrs. and SS energy: 8.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2219.090774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.090774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.347268 (E_RNA)
where:
Base-Base interactions energy: -1539.517
where: short stacking energy: -655.449
Base-Backbone interact. energy: -2.688
local terms energy: -688.142410
where:
bonds (distance) C4'-P energy: -121.474
bonds (distance) P-C4' energy: -114.609
flat angles C4'-P-C4' energy: -154.278
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -195.304
Dist. restrs. and SS energy: 11.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -2110.105415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.105415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.880942 (E_RNA)
where:
Base-Base interactions energy: -1504.216
where: short stacking energy: -652.109
Base-Backbone interact. energy: -1.550
local terms energy: -615.114571
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -102.318
flat angles C4'-P-C4' energy: -139.629
flat angles P-C4'-P energy: -88.721
tors. eta vs tors. theta energy: -180.693
Dist. restrs. and SS energy: 10.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1889.442221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.442221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.893063 (E_RNA)
where:
Base-Base interactions energy: -1305.410
where: short stacking energy: -557.625
Base-Backbone interact. energy: 4.264
local terms energy: -616.746438
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -152.707
flat angles P-C4'-P energy: -67.811
tors. eta vs tors. theta energy: -159.218
Dist. restrs. and SS energy: 28.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2798.969299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.969299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.269931 (E_RNA)
where:
Base-Base interactions energy: -1953.333
where: short stacking energy: -844.968
Base-Backbone interact. energy: -2.004
local terms energy: -844.933185
where:
bonds (distance) C4'-P energy: -145.922
bonds (distance) P-C4' energy: -142.638
flat angles C4'-P-C4' energy: -175.100
flat angles P-C4'-P energy: -136.681
tors. eta vs tors. theta energy: -244.592
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2650.866921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.866921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.869481 (E_RNA)
where:
Base-Base interactions energy: -1861.347
where: short stacking energy: -793.410
Base-Backbone interact. energy: -3.036
local terms energy: -790.486329
where:
bonds (distance) C4'-P energy: -136.414
bonds (distance) P-C4' energy: -132.117
flat angles C4'-P-C4' energy: -176.474
flat angles P-C4'-P energy: -106.877
tors. eta vs tors. theta energy: -238.605
Dist. restrs. and SS energy: 4.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2635.312292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.312292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.106252 (E_RNA)
where:
Base-Base interactions energy: -1860.648
where: short stacking energy: -754.484
Base-Backbone interact. energy: 1.617
local terms energy: -779.075369
where:
bonds (distance) C4'-P energy: -141.441
bonds (distance) P-C4' energy: -142.150
flat angles C4'-P-C4' energy: -167.595
flat angles P-C4'-P energy: -115.434
tors. eta vs tors. theta energy: -212.455
Dist. restrs. and SS energy: 2.794 (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: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2523.025220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.025220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.369430 (E_RNA)
where:
Base-Base interactions energy: -1769.219
where: short stacking energy: -758.944
Base-Backbone interact. energy: -1.581
local terms energy: -756.569931
where:
bonds (distance) C4'-P energy: -135.915
bonds (distance) P-C4' energy: -139.968
flat angles C4'-P-C4' energy: -158.287
flat angles P-C4'-P energy: -90.127
tors. eta vs tors. theta energy: -232.271
Dist. restrs. and SS energy: 4.344 (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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2444.968069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.968069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.374070 (E_RNA)
where:
Base-Base interactions energy: -1740.213
where: short stacking energy: -732.211
Base-Backbone interact. energy: -3.958
local terms energy: -708.202500
where:
bonds (distance) C4'-P energy: -123.669
bonds (distance) P-C4' energy: -119.680
flat angles C4'-P-C4' energy: -151.073
flat angles P-C4'-P energy: -100.981
tors. eta vs tors. theta energy: -212.799
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2434.235223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.235223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.712731 (E_RNA)
where:
Base-Base interactions energy: -1711.379
where: short stacking energy: -731.243
Base-Backbone interact. energy: -2.777
local terms energy: -723.555869
where:
bonds (distance) C4'-P energy: -126.136
bonds (distance) P-C4' energy: -116.794
flat angles C4'-P-C4' energy: -158.784
flat angles P-C4'-P energy: -92.957
tors. eta vs tors. theta energy: -228.885
Dist. restrs. and SS energy: 3.478 (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: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2306.805159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.805159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.744112 (E_RNA)
where:
Base-Base interactions energy: -1627.330
where: short stacking energy: -657.335
Base-Backbone interact. energy: 2.867
local terms energy: -689.281615
where:
bonds (distance) C4'-P energy: -108.344
bonds (distance) P-C4' energy: -137.252
flat angles C4'-P-C4' energy: -152.975
flat angles P-C4'-P energy: -87.458
tors. eta vs tors. theta energy: -203.253
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: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2211.157107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.157107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.813657 (E_RNA)
where:
Base-Base interactions energy: -1549.130
where: short stacking energy: -666.171
Base-Backbone interact. energy: -1.870
local terms energy: -670.813953
where:
bonds (distance) C4'-P energy: -148.721
bonds (distance) P-C4' energy: -110.286
flat angles C4'-P-C4' energy: -142.847
flat angles P-C4'-P energy: -80.576
tors. eta vs tors. theta energy: -188.384
Dist. restrs. and SS energy: 10.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -2080.493387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.493387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.036313 (E_RNA)
where:
Base-Base interactions energy: -1466.325
where: short stacking energy: -633.688
Base-Backbone interact. energy: 1.289
local terms energy: -623.000247
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -122.150
flat angles C4'-P-C4' energy: -131.399
flat angles P-C4'-P energy: -86.288
tors. eta vs tors. theta energy: -178.271
Dist. restrs. and SS energy: 7.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1916.833938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.833938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.668769 (E_RNA)
where:
Base-Base interactions energy: -1385.539
where: short stacking energy: -560.104
Base-Backbone interact. energy: -2.028
local terms energy: -551.102257
where:
bonds (distance) C4'-P energy: -100.775
bonds (distance) P-C4' energy: -107.527
flat angles C4'-P-C4' energy: -120.378
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -144.777
Dist. restrs. and SS energy: 21.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2809.081368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.081368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.056100 (E_RNA)
where:
Base-Base interactions energy: -1964.984
where: short stacking energy: -842.615
Base-Backbone interact. energy: -6.267
local terms energy: -839.804499
where:
bonds (distance) C4'-P energy: -151.321
bonds (distance) P-C4' energy: -147.975
flat angles C4'-P-C4' energy: -178.672
flat angles P-C4'-P energy: -105.946
tors. eta vs tors. theta energy: -255.891
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2671.703439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.703439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.406835 (E_RNA)
where:
Base-Base interactions energy: -1868.336
where: short stacking energy: -801.113
Base-Backbone interact. energy: -2.702
local terms energy: -803.368573
where:
bonds (distance) C4'-P energy: -130.668
bonds (distance) P-C4' energy: -145.171
flat angles C4'-P-C4' energy: -176.475
flat angles P-C4'-P energy: -112.588
tors. eta vs tors. theta energy: -238.466
Dist. restrs. and SS energy: 2.703 (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: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2640.437066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.437066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.607174 (E_RNA)
where:
Base-Base interactions energy: -1836.519
where: short stacking energy: -752.563
Base-Backbone interact. energy: -8.734
local terms energy: -798.354506
where:
bonds (distance) C4'-P energy: -131.899
bonds (distance) P-C4' energy: -146.483
flat angles C4'-P-C4' energy: -175.914
flat angles P-C4'-P energy: -126.623
tors. eta vs tors. theta energy: -217.436
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2559.545769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.545769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.322696 (E_RNA)
where:
Base-Base interactions energy: -1813.997
where: short stacking energy: -779.811
Base-Backbone interact. energy: -0.942
local terms energy: -749.383477
where:
bonds (distance) C4'-P energy: -133.125
bonds (distance) P-C4' energy: -119.847
flat angles C4'-P-C4' energy: -151.581
flat angles P-C4'-P energy: -115.785
tors. eta vs tors. theta energy: -229.046
Dist. restrs. and SS energy: 4.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2449.199380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.199380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.748565 (E_RNA)
where:
Base-Base interactions energy: -1741.353
where: short stacking energy: -740.964
Base-Backbone interact. energy: 1.928
local terms energy: -714.323303
where:
bonds (distance) C4'-P energy: -127.680
bonds (distance) P-C4' energy: -111.373
flat angles C4'-P-C4' energy: -154.841
flat angles P-C4'-P energy: -110.426
tors. eta vs tors. theta energy: -210.003
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: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2372.833204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.833204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.188546 (E_RNA)
where:
Base-Base interactions energy: -1693.295
where: short stacking energy: -718.017
Base-Backbone interact. energy: 0.775
local terms energy: -692.667838
where:
bonds (distance) C4'-P energy: -103.539
bonds (distance) P-C4' energy: -131.235
flat angles C4'-P-C4' energy: -153.832
flat angles P-C4'-P energy: -105.117
tors. eta vs tors. theta energy: -198.945
Dist. restrs. and SS energy: 12.355 (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: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2345.268585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.268585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.038422 (E_RNA)
where:
Base-Base interactions energy: -1674.778
where: short stacking energy: -688.887
Base-Backbone interact. energy: 2.660
local terms energy: -682.920384
where:
bonds (distance) C4'-P energy: -123.601
bonds (distance) P-C4' energy: -132.077
flat angles C4'-P-C4' energy: -143.985
flat angles P-C4'-P energy: -93.861
tors. eta vs tors. theta energy: -189.396
Dist. restrs. and SS energy: 9.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2210.021011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.021011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.454568 (E_RNA)
where:
Base-Base interactions energy: -1543.986
where: short stacking energy: -654.706
Base-Backbone interact. energy: -3.584
local terms energy: -672.884064
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -107.474
flat angles C4'-P-C4' energy: -144.985
flat angles P-C4'-P energy: -97.242
tors. eta vs tors. theta energy: -200.572
Dist. restrs. and SS energy: 10.434 (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: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -2103.906505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.906505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.951097 (E_RNA)
where:
Base-Base interactions energy: -1473.050
where: short stacking energy: -607.295
Base-Backbone interact. energy: -1.970
local terms energy: -636.931406
where:
bonds (distance) C4'-P energy: -124.170
bonds (distance) P-C4' energy: -133.191
flat angles C4'-P-C4' energy: -126.925
flat angles P-C4'-P energy: -74.277
tors. eta vs tors. theta energy: -178.368
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: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1850.129286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.129286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.225417 (E_RNA)
where:
Base-Base interactions energy: -1292.548
where: short stacking energy: -546.588
Base-Backbone interact. energy: -1.012
local terms energy: -584.666047
where:
bonds (distance) C4'-P energy: -112.377
bonds (distance) P-C4' energy: -113.432
flat angles C4'-P-C4' energy: -132.286
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -160.065
Dist. restrs. and SS energy: 28.096 (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: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2817.261205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.261205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.610041 (E_RNA)
where:
Base-Base interactions energy: -1966.279
where: short stacking energy: -850.164
Base-Backbone interact. energy: -1.080
local terms energy: -851.251730
where:
bonds (distance) C4'-P energy: -154.426
bonds (distance) P-C4' energy: -146.028
flat angles C4'-P-C4' energy: -167.583
flat angles P-C4'-P energy: -128.969
tors. eta vs tors. theta energy: -254.245
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2678.962068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.962068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.063525 (E_RNA)
where:
Base-Base interactions energy: -1861.269
where: short stacking energy: -818.770
Base-Backbone interact. energy: -4.084
local terms energy: -816.710659
where:
bonds (distance) C4'-P energy: -126.347
bonds (distance) P-C4' energy: -153.563
flat angles C4'-P-C4' energy: -167.447
flat angles P-C4'-P energy: -122.496
tors. eta vs tors. theta energy: -246.858
Dist. restrs. and SS energy: 3.101 (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: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2624.247677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.247677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.978332 (E_RNA)
where:
Base-Base interactions energy: -1846.146
where: short stacking energy: -764.192
Base-Backbone interact. energy: -0.692
local terms energy: -781.140264
where:
bonds (distance) C4'-P energy: -130.871
bonds (distance) P-C4' energy: -143.669
flat angles C4'-P-C4' energy: -175.101
flat angles P-C4'-P energy: -112.663
tors. eta vs tors. theta energy: -218.837
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: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2490.646578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.646578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.135621 (E_RNA)
where:
Base-Base interactions energy: -1747.016
where: short stacking energy: -733.552
Base-Backbone interact. energy: -2.196
local terms energy: -743.923496
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -122.023
flat angles C4'-P-C4' energy: -166.299
flat angles P-C4'-P energy: -111.654
tors. eta vs tors. theta energy: -221.234
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2445.381636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.381636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.046643 (E_RNA)
where:
Base-Base interactions energy: -1723.674
where: short stacking energy: -731.080
Base-Backbone interact. energy: -1.926
local terms energy: -728.447186
where:
bonds (distance) C4'-P energy: -122.534
bonds (distance) P-C4' energy: -136.022
flat angles C4'-P-C4' energy: -145.947
flat angles P-C4'-P energy: -90.272
tors. eta vs tors. theta energy: -233.673
Dist. restrs. and SS energy: 8.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2397.063082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.063082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.374037 (E_RNA)
where:
Base-Base interactions energy: -1720.242
where: short stacking energy: -710.975
Base-Backbone interact. energy: 2.564
local terms energy: -690.695469
where:
bonds (distance) C4'-P energy: -124.879
bonds (distance) P-C4' energy: -116.627
flat angles C4'-P-C4' energy: -143.392
flat angles P-C4'-P energy: -102.294
tors. eta vs tors. theta energy: -203.504
Dist. restrs. and SS energy: 11.311 (S_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: 455
Temperature: 1.200000
Total energy: -2360.093254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.093254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.688395 (E_RNA)
where:
Base-Base interactions energy: -1689.344
where: short stacking energy: -709.318
Base-Backbone interact. energy: 0.620
local terms energy: -677.964326
where:
bonds (distance) C4'-P energy: -123.492
bonds (distance) P-C4' energy: -114.376
flat angles C4'-P-C4' energy: -131.569
flat angles P-C4'-P energy: -100.064
tors. eta vs tors. theta energy: -208.463
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: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2204.310669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.310669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.691957 (E_RNA)
where:
Base-Base interactions energy: -1556.984
where: short stacking energy: -656.705
Base-Backbone interact. energy: -1.270
local terms energy: -649.437383
where:
bonds (distance) C4'-P energy: -113.116
bonds (distance) P-C4' energy: -116.777
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -96.676
tors. eta vs tors. theta energy: -187.270
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -2118.621303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.621303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.148225 (E_RNA)
where:
Base-Base interactions energy: -1482.279
where: short stacking energy: -610.295
Base-Backbone interact. energy: -1.042
local terms energy: -644.827157
where:
bonds (distance) C4'-P energy: -112.776
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -142.473
flat angles P-C4'-P energy: -82.427
tors. eta vs tors. theta energy: -194.236
Dist. restrs. and SS energy: 9.527 (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: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1930.611284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.611284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.445602 (E_RNA)
where:
Base-Base interactions energy: -1374.051
where: short stacking energy: -546.724
Base-Backbone interact. energy: 3.315
local terms energy: -580.709315
where:
bonds (distance) C4'-P energy: -99.685
bonds (distance) P-C4' energy: -120.922
flat angles C4'-P-C4' energy: -119.554
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 20.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2810.164230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.164230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.881777 (E_RNA)
where:
Base-Base interactions energy: -1965.380
where: short stacking energy: -823.288
Base-Backbone interact. energy: 2.349
local terms energy: -850.850493
where:
bonds (distance) C4'-P energy: -150.505
bonds (distance) P-C4' energy: -152.791
flat angles C4'-P-C4' energy: -170.831
flat angles P-C4'-P energy: -124.689
tors. eta vs tors. theta energy: -252.033
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2679.568317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.568317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.041495 (E_RNA)
where:
Base-Base interactions energy: -1864.665
where: short stacking energy: -801.859
Base-Backbone interact. energy: -4.765
local terms energy: -812.611585
where:
bonds (distance) C4'-P energy: -133.751
bonds (distance) P-C4' energy: -141.056
flat angles C4'-P-C4' energy: -172.260
flat angles P-C4'-P energy: -122.012
tors. eta vs tors. theta energy: -243.533
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2617.123272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.123272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.629947 (E_RNA)
where:
Base-Base interactions energy: -1850.745
where: short stacking energy: -768.632
Base-Backbone interact. energy: -2.165
local terms energy: -770.719946
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -140.802
flat angles C4'-P-C4' energy: -165.819
flat angles P-C4'-P energy: -114.138
tors. eta vs tors. theta energy: -225.202
Dist. restrs. and SS energy: 6.507 (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: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2522.673756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.673756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.282106 (E_RNA)
where:
Base-Base interactions energy: -1784.270
where: short stacking energy: -752.658
Base-Backbone interact. energy: -2.335
local terms energy: -738.677806
where:
bonds (distance) C4'-P energy: -123.367
bonds (distance) P-C4' energy: -126.924
flat angles C4'-P-C4' energy: -156.221
flat angles P-C4'-P energy: -105.737
tors. eta vs tors. theta energy: -226.429
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2467.577420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.577420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.523736 (E_RNA)
where:
Base-Base interactions energy: -1725.499
where: short stacking energy: -754.273
Base-Backbone interact. energy: -2.856
local terms energy: -742.169066
where:
bonds (distance) C4'-P energy: -129.759
bonds (distance) P-C4' energy: -128.169
flat angles C4'-P-C4' energy: -152.618
flat angles P-C4'-P energy: -101.119
tors. eta vs tors. theta energy: -230.505
Dist. restrs. and SS energy: 2.946 (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: 456
Temperature: 1.150000
Total energy: -2382.970024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.970024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.396386 (E_RNA)
where:
Base-Base interactions energy: -1677.179
where: short stacking energy: -687.776
Base-Backbone interact. energy: -2.151
local terms energy: -711.065709
where:
bonds (distance) C4'-P energy: -129.562
bonds (distance) P-C4' energy: -125.745
flat angles C4'-P-C4' energy: -149.495
flat angles P-C4'-P energy: -101.223
tors. eta vs tors. theta energy: -205.041
Dist. restrs. and SS energy: 7.426 (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: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2292.817524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.817524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.765478 (E_RNA)
where:
Base-Base interactions energy: -1608.281
where: short stacking energy: -652.550
Base-Backbone interact. energy: -1.743
local terms energy: -687.741835
where:
bonds (distance) C4'-P energy: -127.733
bonds (distance) P-C4' energy: -129.812
flat angles C4'-P-C4' energy: -153.455
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -185.624
Dist. restrs. and SS energy: 4.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2219.324088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.324088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.031023 (E_RNA)
where:
Base-Base interactions energy: -1550.196
where: short stacking energy: -659.403
Base-Backbone interact. energy: -1.619
local terms energy: -676.215606
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -126.778
flat angles C4'-P-C4' energy: -144.779
flat angles P-C4'-P energy: -101.249
tors. eta vs tors. theta energy: -199.125
Dist. restrs. and SS energy: 8.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -2067.380049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.380049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.109587 (E_RNA)
where:
Base-Base interactions energy: -1463.335
where: short stacking energy: -633.830
Base-Backbone interact. energy: 1.812
local terms energy: -620.586439
where:
bonds (distance) C4'-P energy: -108.171
bonds (distance) P-C4' energy: -107.846
flat angles C4'-P-C4' energy: -150.915
flat angles P-C4'-P energy: -68.927
tors. eta vs tors. theta energy: -184.727
Dist. restrs. and SS energy: 14.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1976.298951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.298951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.687511 (E_RNA)
where:
Base-Base interactions energy: -1380.451
where: short stacking energy: -586.072
Base-Backbone interact. energy: 1.301
local terms energy: -623.537111
where:
bonds (distance) C4'-P energy: -101.672
bonds (distance) P-C4' energy: -115.315
flat angles C4'-P-C4' energy: -143.699
flat angles P-C4'-P energy: -89.259
tors. eta vs tors. theta energy: -173.592
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2773.863670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.863670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.466604 (E_RNA)
where:
Base-Base interactions energy: -1952.487
where: short stacking energy: -839.803
Base-Backbone interact. energy: -1.291
local terms energy: -821.688649
where:
bonds (distance) C4'-P energy: -133.923
bonds (distance) P-C4' energy: -147.909
flat angles C4'-P-C4' energy: -176.833
flat angles P-C4'-P energy: -112.335
tors. eta vs tors. theta energy: -250.688
Dist. restrs. and SS energy: 1.603 (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: 457
Temperature: 0.950000
Total energy: -2630.563155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.563155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.172245 (E_RNA)
where:
Base-Base interactions energy: -1837.544
where: short stacking energy: -785.722
Base-Backbone interact. energy: -1.321
local terms energy: -795.307027
where:
bonds (distance) C4'-P energy: -140.917
bonds (distance) P-C4' energy: -147.144
flat angles C4'-P-C4' energy: -165.715
flat angles P-C4'-P energy: -114.670
tors. eta vs tors. theta energy: -226.861
Dist. restrs. and SS energy: 3.609 (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: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2634.726847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.726847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.248028 (E_RNA)
where:
Base-Base interactions energy: -1834.162
where: short stacking energy: -778.832
Base-Backbone interact. energy: -1.660
local terms energy: -802.426225
where:
bonds (distance) C4'-P energy: -132.402
bonds (distance) P-C4' energy: -140.252
flat angles C4'-P-C4' energy: -174.959
flat angles P-C4'-P energy: -114.307
tors. eta vs tors. theta energy: -240.505
Dist. restrs. and SS energy: 3.521 (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: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2559.279150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.279150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.772781 (E_RNA)
where:
Base-Base interactions energy: -1786.130
where: short stacking energy: -767.541
Base-Backbone interact. energy: -2.889
local terms energy: -775.753343
where:
bonds (distance) C4'-P energy: -116.891
bonds (distance) P-C4' energy: -147.112
flat angles C4'-P-C4' energy: -162.151
flat angles P-C4'-P energy: -117.974
tors. eta vs tors. theta energy: -231.625
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: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2483.695482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.695482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.778529 (E_RNA)
where:
Base-Base interactions energy: -1762.746
where: short stacking energy: -757.650
Base-Backbone interact. energy: -6.462
local terms energy: -719.571060
where:
bonds (distance) C4'-P energy: -134.246
bonds (distance) P-C4' energy: -104.906
flat angles C4'-P-C4' energy: -153.804
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -224.442
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2369.440059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.440059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.669092 (E_RNA)
where:
Base-Base interactions energy: -1645.965
where: short stacking energy: -675.881
Base-Backbone interact. energy: -4.258
local terms energy: -724.446219
where:
bonds (distance) C4'-P energy: -119.859
bonds (distance) P-C4' energy: -144.949
flat angles C4'-P-C4' energy: -156.800
flat angles P-C4'-P energy: -104.382
tors. eta vs tors. theta energy: -198.456
Dist. restrs. and SS energy: 5.229 (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: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2292.719322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.719322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.851846 (E_RNA)
where:
Base-Base interactions energy: -1634.703
where: short stacking energy: -689.612
Base-Backbone interact. energy: 2.852
local terms energy: -664.000357
where:
bonds (distance) C4'-P energy: -108.525
bonds (distance) P-C4' energy: -119.696
flat angles C4'-P-C4' energy: -142.508
flat angles P-C4'-P energy: -94.290
tors. eta vs tors. theta energy: -198.981
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2224.798426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.798426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.468388 (E_RNA)
where:
Base-Base interactions energy: -1593.836
where: short stacking energy: -634.495
Base-Backbone interact. energy: 0.924
local terms energy: -636.556201
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -112.462
flat angles C4'-P-C4' energy: -143.666
flat angles P-C4'-P energy: -91.436
tors. eta vs tors. theta energy: -194.319
Dist. restrs. and SS energy: 4.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -2096.677881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.677881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.304856 (E_RNA)
where:
Base-Base interactions energy: -1469.212
where: short stacking energy: -586.650
Base-Backbone interact. energy: -3.895
local terms energy: -630.198300
where:
bonds (distance) C4'-P energy: -108.103
bonds (distance) P-C4' energy: -131.875
flat angles C4'-P-C4' energy: -140.330
flat angles P-C4'-P energy: -79.521
tors. eta vs tors. theta energy: -170.370
Dist. restrs. and SS energy: 6.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1867.187849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.187849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.139260 (E_RNA)
where:
Base-Base interactions energy: -1313.766
where: short stacking energy: -533.646
Base-Backbone interact. energy: 0.436
local terms energy: -581.809716
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -121.963
flat angles C4'-P-C4' energy: -135.547
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -149.278
Dist. restrs. and SS energy: 27.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2831.110654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.110654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.484811 (E_RNA)
where:
Base-Base interactions energy: -1977.195
where: short stacking energy: -835.978
Base-Backbone interact. energy: -0.567
local terms energy: -856.723092
where:
bonds (distance) C4'-P energy: -146.154
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -183.681
flat angles P-C4'-P energy: -121.900
tors. eta vs tors. theta energy: -257.902
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2708.692527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.692527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.776228 (E_RNA)
where:
Base-Base interactions energy: -1907.636
where: short stacking energy: -808.991
Base-Backbone interact. energy: -1.562
local terms energy: -801.578192
where:
bonds (distance) C4'-P energy: -154.721
bonds (distance) P-C4' energy: -133.525
flat angles C4'-P-C4' energy: -161.531
flat angles P-C4'-P energy: -122.685
tors. eta vs tors. theta energy: -229.116
Dist. restrs. and SS energy: 2.084 (S_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: 458
Temperature: 1.000000
Total energy: -2639.939978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.939978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.321268 (E_RNA)
where:
Base-Base interactions energy: -1827.733
where: short stacking energy: -790.695
Base-Backbone interact. energy: -4.135
local terms energy: -810.453410
where:
bonds (distance) C4'-P energy: -133.915
bonds (distance) P-C4' energy: -148.813
flat angles C4'-P-C4' energy: -167.278
flat angles P-C4'-P energy: -125.106
tors. eta vs tors. theta energy: -235.340
Dist. restrs. and SS energy: 2.381 (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: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2562.418054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.418054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.512301 (E_RNA)
where:
Base-Base interactions energy: -1797.078
where: short stacking energy: -753.308
Base-Backbone interact. energy: -0.117
local terms energy: -768.317861
where:
bonds (distance) C4'-P energy: -142.796
bonds (distance) P-C4' energy: -142.837
flat angles C4'-P-C4' energy: -150.650
flat angles P-C4'-P energy: -104.109
tors. eta vs tors. theta energy: -227.927
Dist. restrs. and SS energy: 3.094 (S_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: 458
Temperature: 1.100000
Total energy: -2486.768285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.768285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.103343 (E_RNA)
where:
Base-Base interactions energy: -1745.428
where: short stacking energy: -747.155
Base-Backbone interact. energy: -0.782
local terms energy: -743.893275
where:
bonds (distance) C4'-P energy: -127.147
bonds (distance) P-C4' energy: -134.227
flat angles C4'-P-C4' energy: -157.585
flat angles P-C4'-P energy: -106.042
tors. eta vs tors. theta energy: -218.893
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2388.359085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.359085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.938716 (E_RNA)
where:
Base-Base interactions energy: -1689.804
where: short stacking energy: -696.398
Base-Backbone interact. energy: 0.042
local terms energy: -706.176898
where:
bonds (distance) C4'-P energy: -138.054
bonds (distance) P-C4' energy: -125.556
flat angles C4'-P-C4' energy: -142.600
flat angles P-C4'-P energy: -95.722
tors. eta vs tors. theta energy: -204.245
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: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2309.835013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.835013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.254343 (E_RNA)
where:
Base-Base interactions energy: -1640.239
where: short stacking energy: -685.649
Base-Backbone interact. energy: -1.843
local terms energy: -674.173046
where:
bonds (distance) C4'-P energy: -124.918
bonds (distance) P-C4' energy: -108.719
flat angles C4'-P-C4' energy: -149.403
flat angles P-C4'-P energy: -80.437
tors. eta vs tors. theta energy: -210.697
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: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2328.849464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.849464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.414416 (E_RNA)
where:
Base-Base interactions energy: -1637.932
where: short stacking energy: -679.350
Base-Backbone interact. energy: 2.345
local terms energy: -697.827462
where:
bonds (distance) C4'-P energy: -136.193
bonds (distance) P-C4' energy: -125.918
flat angles C4'-P-C4' energy: -140.524
flat angles P-C4'-P energy: -96.287
tors. eta vs tors. theta energy: -198.905
Dist. restrs. and SS energy: 4.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -2115.913871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.913871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.197861 (E_RNA)
where:
Base-Base interactions energy: -1511.825
where: short stacking energy: -634.055
Base-Backbone interact. energy: -3.273
local terms energy: -613.099347
where:
bonds (distance) C4'-P energy: -123.034
bonds (distance) P-C4' energy: -99.869
flat angles C4'-P-C4' energy: -138.029
flat angles P-C4'-P energy: -79.025
tors. eta vs tors. theta energy: -173.143
Dist. restrs. and SS energy: 12.284 (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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1819.933809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.933809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.675625 (E_RNA)
where:
Base-Base interactions energy: -1273.561
where: short stacking energy: -520.565
Base-Backbone interact. energy: 1.366
local terms energy: -570.481496
where:
bonds (distance) C4'-P energy: -107.758
bonds (distance) P-C4' energy: -126.181
flat angles C4'-P-C4' energy: -118.407
flat angles P-C4'-P energy: -91.109
tors. eta vs tors. theta energy: -127.028
Dist. restrs. and SS energy: 22.742 (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: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2800.670404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.670404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.382313 (E_RNA)
where:
Base-Base interactions energy: -1959.507
where: short stacking energy: -843.730
Base-Backbone interact. energy: -0.707
local terms energy: -846.168690
where:
bonds (distance) C4'-P energy: -146.499
bonds (distance) P-C4' energy: -162.314
flat angles C4'-P-C4' energy: -173.612
flat angles P-C4'-P energy: -115.343
tors. eta vs tors. theta energy: -248.401
Dist. restrs. and SS energy: 5.712 (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: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2693.812878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.812878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.898409 (E_RNA)
where:
Base-Base interactions energy: -1894.295
where: short stacking energy: -787.294
Base-Backbone interact. energy: 1.365
local terms energy: -803.968977
where:
bonds (distance) C4'-P energy: -146.136
bonds (distance) P-C4' energy: -139.157
flat angles C4'-P-C4' energy: -179.046
flat angles P-C4'-P energy: -111.901
tors. eta vs tors. theta energy: -227.728
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: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2602.857774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.857774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.748071 (E_RNA)
where:
Base-Base interactions energy: -1819.578
where: short stacking energy: -776.220
Base-Backbone interact. energy: -1.616
local terms energy: -785.554089
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -142.038
flat angles C4'-P-C4' energy: -158.851
flat angles P-C4'-P energy: -114.883
tors. eta vs tors. theta energy: -226.957
Dist. restrs. and SS energy: 3.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2534.577184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.577184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.679846 (E_RNA)
where:
Base-Base interactions energy: -1792.477
where: short stacking energy: -736.986
Base-Backbone interact. energy: -0.354
local terms energy: -744.848495
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -135.046
flat angles C4'-P-C4' energy: -157.305
flat angles P-C4'-P energy: -106.136
tors. eta vs tors. theta energy: -218.085
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2463.017379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.017379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.969356 (E_RNA)
where:
Base-Base interactions energy: -1723.525
where: short stacking energy: -729.137
Base-Backbone interact. energy: -5.690
local terms energy: -738.754735
where:
bonds (distance) C4'-P energy: -124.605
bonds (distance) P-C4' energy: -117.765
flat angles C4'-P-C4' energy: -163.349
flat angles P-C4'-P energy: -116.607
tors. eta vs tors. theta energy: -216.430
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: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2357.336792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.336792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.636603 (E_RNA)
where:
Base-Base interactions energy: -1698.929
where: short stacking energy: -713.505
Base-Backbone interact. energy: 3.625
local terms energy: -671.332032
where:
bonds (distance) C4'-P energy: -115.926
bonds (distance) P-C4' energy: -115.996
flat angles C4'-P-C4' energy: -148.295
flat angles P-C4'-P energy: -88.704
tors. eta vs tors. theta energy: -202.412
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: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2295.939044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.939044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.958382 (E_RNA)
where:
Base-Base interactions energy: -1595.569
where: short stacking energy: -683.860
Base-Backbone interact. energy: -1.936
local terms energy: -707.453406
where:
bonds (distance) C4'-P energy: -115.945
bonds (distance) P-C4' energy: -120.416
flat angles C4'-P-C4' energy: -156.906
flat angles P-C4'-P energy: -103.239
tors. eta vs tors. theta energy: -210.947
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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2249.467761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.467761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.081464 (E_RNA)
where:
Base-Base interactions energy: -1613.463
where: short stacking energy: -651.528
Base-Backbone interact. energy: -2.291
local terms energy: -639.327493
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -109.735
flat angles C4'-P-C4' energy: -145.953
flat angles P-C4'-P energy: -74.146
tors. eta vs tors. theta energy: -188.564
Dist. restrs. and SS energy: 5.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -2149.998590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.998590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.704291 (E_RNA)
where:
Base-Base interactions energy: -1534.671
where: short stacking energy: -633.204
Base-Backbone interact. energy: -1.935
local terms energy: -624.098829
where:
bonds (distance) C4'-P energy: -109.978
bonds (distance) P-C4' energy: -111.483
flat angles C4'-P-C4' energy: -146.995
flat angles P-C4'-P energy: -79.990
tors. eta vs tors. theta energy: -175.653
Dist. restrs. and SS energy: 10.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1842.718523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.718523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.423786 (E_RNA)
where:
Base-Base interactions energy: -1291.974
where: short stacking energy: -540.847
Base-Backbone interact. energy: 0.229
local terms energy: -580.678975
where:
bonds (distance) C4'-P energy: -107.859
bonds (distance) P-C4' energy: -117.165
flat angles C4'-P-C4' energy: -139.265
flat angles P-C4'-P energy: -78.661
tors. eta vs tors. theta energy: -137.729
Dist. restrs. and SS energy: 29.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2797.072777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.072777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.176741 (E_RNA)
where:
Base-Base interactions energy: -1944.665
where: short stacking energy: -812.518
Base-Backbone interact. energy: 0.072
local terms energy: -856.583551
where:
bonds (distance) C4'-P energy: -165.634
bonds (distance) P-C4' energy: -149.903
flat angles C4'-P-C4' energy: -164.317
flat angles P-C4'-P energy: -122.889
tors. eta vs tors. theta energy: -253.840
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2706.576749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.576749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.097630 (E_RNA)
where:
Base-Base interactions energy: -1901.898
where: short stacking energy: -778.929
Base-Backbone interact. energy: -4.148
local terms energy: -804.052028
where:
bonds (distance) C4'-P energy: -138.689
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -178.539
flat angles P-C4'-P energy: -120.346
tors. eta vs tors. theta energy: -229.233
Dist. restrs. and SS energy: 3.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2594.731785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.061683 (E_RNA)
where:
Base-Base interactions energy: -1838.807
where: short stacking energy: -775.574
Base-Backbone interact. energy: -1.991
local terms energy: -761.263913
where:
bonds (distance) C4'-P energy: -126.573
bonds (distance) P-C4' energy: -137.645
flat angles C4'-P-C4' energy: -176.542
flat angles P-C4'-P energy: -104.310
tors. eta vs tors. theta energy: -216.194
Dist. restrs. and SS energy: 7.330 (S_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: 460
Temperature: 1.050000
Total energy: -2550.746885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.746885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.007657 (E_RNA)
where:
Base-Base interactions energy: -1771.116
where: short stacking energy: -743.960
Base-Backbone interact. energy: -5.450
local terms energy: -779.441770
where:
bonds (distance) C4'-P energy: -129.675
bonds (distance) P-C4' energy: -148.121
flat angles C4'-P-C4' energy: -161.704
flat angles P-C4'-P energy: -108.252
tors. eta vs tors. theta energy: -231.691
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: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2409.553770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.553770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.147049 (E_RNA)
where:
Base-Base interactions energy: -1716.149
where: short stacking energy: -729.755
Base-Backbone interact. energy: -1.509
local terms energy: -697.489031
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -133.929
flat angles C4'-P-C4' energy: -158.975
flat angles P-C4'-P energy: -99.345
tors. eta vs tors. theta energy: -200.709
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: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2430.226508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.226508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.691857 (E_RNA)
where:
Base-Base interactions energy: -1703.165
where: short stacking energy: -723.121
Base-Backbone interact. energy: -2.836
local terms energy: -728.690529
where:
bonds (distance) C4'-P energy: -129.112
bonds (distance) P-C4' energy: -128.786
flat angles C4'-P-C4' energy: -155.519
flat angles P-C4'-P energy: -91.859
tors. eta vs tors. theta energy: -223.415
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2259.932339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.932339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.737682 (E_RNA)
where:
Base-Base interactions energy: -1596.432
where: short stacking energy: -652.187
Base-Backbone interact. energy: 2.659
local terms energy: -669.964675
where:
bonds (distance) C4'-P energy: -129.558
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -135.145
flat angles P-C4'-P energy: -92.445
tors. eta vs tors. theta energy: -192.498
Dist. restrs. and SS energy: 3.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2248.837363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.837363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.528888 (E_RNA)
where:
Base-Base interactions energy: -1594.592
where: short stacking energy: -656.603
Base-Backbone interact. energy: -2.025
local terms energy: -659.911611
where:
bonds (distance) C4'-P energy: -128.660
bonds (distance) P-C4' energy: -122.816
flat angles C4'-P-C4' energy: -137.589
flat angles P-C4'-P energy: -75.304
tors. eta vs tors. theta energy: -195.542
Dist. restrs. and SS energy: 7.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -2174.918418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.918418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.657806 (E_RNA)
where:
Base-Base interactions energy: -1516.889
where: short stacking energy: -644.094
Base-Backbone interact. energy: -1.978
local terms energy: -666.791370
where:
bonds (distance) C4'-P energy: -119.756
bonds (distance) P-C4' energy: -126.259
flat angles C4'-P-C4' energy: -137.483
flat angles P-C4'-P energy: -90.933
tors. eta vs tors. theta energy: -192.361
Dist. restrs. and SS energy: 10.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1802.191621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.191621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.673641 (E_RNA)
where:
Base-Base interactions energy: -1258.013
where: short stacking energy: -487.060
Base-Backbone interact. energy: -1.079
local terms energy: -563.581757
where:
bonds (distance) C4'-P energy: -115.956
bonds (distance) P-C4' energy: -120.059
flat angles C4'-P-C4' energy: -127.763
flat angles P-C4'-P energy: -84.616
tors. eta vs tors. theta energy: -115.187
Dist. restrs. and SS energy: 20.482 (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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2835.308371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.308371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.747381 (E_RNA)
where:
Base-Base interactions energy: -1972.545
where: short stacking energy: -847.235
Base-Backbone interact. energy: -1.479
local terms energy: -864.723839
where:
bonds (distance) C4'-P energy: -147.949
bonds (distance) P-C4' energy: -152.905
flat angles C4'-P-C4' energy: -180.366
flat angles P-C4'-P energy: -125.437
tors. eta vs tors. theta energy: -258.067
Dist. restrs. and SS energy: 3.439 (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: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2658.285922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.285922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.666626 (E_RNA)
where:
Base-Base interactions energy: -1895.215
where: short stacking energy: -798.620
Base-Backbone interact. energy: -4.384
local terms energy: -762.067576
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -100.772
flat angles C4'-P-C4' energy: -167.979
flat angles P-C4'-P energy: -124.846
tors. eta vs tors. theta energy: -229.304
Dist. restrs. and SS energy: 3.381 (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: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2612.756853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.756853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.647667 (E_RNA)
where:
Base-Base interactions energy: -1816.686
where: short stacking energy: -766.051
Base-Backbone interact. energy: -4.519
local terms energy: -795.442584
where:
bonds (distance) C4'-P energy: -145.779
bonds (distance) P-C4' energy: -142.249
flat angles C4'-P-C4' energy: -163.232
flat angles P-C4'-P energy: -112.828
tors. eta vs tors. theta energy: -231.355
Dist. restrs. and SS energy: 3.891 (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: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2569.309782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.309782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.371487 (E_RNA)
where:
Base-Base interactions energy: -1796.657
where: short stacking energy: -788.272
Base-Backbone interact. energy: -4.747
local terms energy: -773.966821
where:
bonds (distance) C4'-P energy: -138.378
bonds (distance) P-C4' energy: -122.828
flat angles C4'-P-C4' energy: -170.078
flat angles P-C4'-P energy: -109.365
tors. eta vs tors. theta energy: -233.318
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: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2444.645399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.645399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.173355 (E_RNA)
where:
Base-Base interactions energy: -1709.980
where: short stacking energy: -724.860
Base-Backbone interact. energy: -5.122
local terms energy: -737.070542
where:
bonds (distance) C4'-P energy: -111.772
bonds (distance) P-C4' energy: -135.707
flat angles C4'-P-C4' energy: -163.060
flat angles P-C4'-P energy: -113.724
tors. eta vs tors. theta energy: -212.807
Dist. restrs. and SS energy: 7.528 (S_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: 461
Temperature: 1.150000
Total energy: -2460.688512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.688512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.442401 (E_RNA)
where:
Base-Base interactions energy: -1742.818
where: short stacking energy: -752.041
Base-Backbone interact. energy: -4.714
local terms energy: -717.909599
where:
bonds (distance) C4'-P energy: -103.178
bonds (distance) P-C4' energy: -133.491
flat angles C4'-P-C4' energy: -147.587
flat angles P-C4'-P energy: -110.232
tors. eta vs tors. theta energy: -223.422
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: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2299.698924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.698924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.200465 (E_RNA)
where:
Base-Base interactions energy: -1645.715
where: short stacking energy: -687.391
Base-Backbone interact. energy: 1.020
local terms energy: -660.505600
where:
bonds (distance) C4'-P energy: -121.449
bonds (distance) P-C4' energy: -108.612
flat angles C4'-P-C4' energy: -151.917
flat angles P-C4'-P energy: -91.543
tors. eta vs tors. theta energy: -186.985
Dist. restrs. and SS energy: 5.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2263.301722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.301722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.606370 (E_RNA)
where:
Base-Base interactions energy: -1604.454
where: short stacking energy: -660.681
Base-Backbone interact. energy: -3.503
local terms energy: -662.649546
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -121.292
flat angles C4'-P-C4' energy: -140.005
flat angles P-C4'-P energy: -100.129
tors. eta vs tors. theta energy: -198.413
Dist. restrs. and SS energy: 7.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -2092.727160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.727160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.016225 (E_RNA)
where:
Base-Base interactions energy: -1494.565
where: short stacking energy: -617.742
Base-Backbone interact. energy: 5.176
local terms energy: -613.627931
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -109.281
flat angles C4'-P-C4' energy: -123.533
flat angles P-C4'-P energy: -84.006
tors. eta vs tors. theta energy: -183.649
Dist. restrs. and SS energy: 10.289 (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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1815.813314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.813314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.460866 (E_RNA)
where:
Base-Base interactions energy: -1304.475
where: short stacking energy: -516.938
Base-Backbone interact. energy: 1.209
local terms energy: -535.194328
where:
bonds (distance) C4'-P energy: -103.706
bonds (distance) P-C4' energy: -94.048
flat angles C4'-P-C4' energy: -121.003
flat angles P-C4'-P energy: -68.968
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 22.648 (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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2811.264087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.264087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.711954 (E_RNA)
where:
Base-Base interactions energy: -1991.707
where: short stacking energy: -861.759
Base-Backbone interact. energy: -0.721
local terms energy: -821.283148
where:
bonds (distance) C4'-P energy: -141.830
bonds (distance) P-C4' energy: -122.515
flat angles C4'-P-C4' energy: -177.073
flat angles P-C4'-P energy: -120.437
tors. eta vs tors. theta energy: -259.429
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2675.279308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.279308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.337721 (E_RNA)
where:
Base-Base interactions energy: -1868.102
where: short stacking energy: -791.779
Base-Backbone interact. energy: -2.775
local terms energy: -808.461396
where:
bonds (distance) C4'-P energy: -139.785
bonds (distance) P-C4' energy: -153.329
flat angles C4'-P-C4' energy: -167.336
flat angles P-C4'-P energy: -115.233
tors. eta vs tors. theta energy: -232.778
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: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2610.864198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.864198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.143195 (E_RNA)
where:
Base-Base interactions energy: -1799.498
where: short stacking energy: -779.117
Base-Backbone interact. energy: 1.923
local terms energy: -816.567417
where:
bonds (distance) C4'-P energy: -153.696
bonds (distance) P-C4' energy: -148.177
flat angles C4'-P-C4' energy: -166.017
flat angles P-C4'-P energy: -114.138
tors. eta vs tors. theta energy: -234.539
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2558.434224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.434224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.389263 (E_RNA)
where:
Base-Base interactions energy: -1813.135
where: short stacking energy: -758.725
Base-Backbone interact. energy: -1.690
local terms energy: -747.564598
where:
bonds (distance) C4'-P energy: -129.932
bonds (distance) P-C4' energy: -133.062
flat angles C4'-P-C4' energy: -153.166
flat angles P-C4'-P energy: -106.966
tors. eta vs tors. theta energy: -224.439
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2480.855969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.855969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.788515 (E_RNA)
where:
Base-Base interactions energy: -1730.491
where: short stacking energy: -726.749
Base-Backbone interact. energy: -1.166
local terms energy: -758.131298
where:
bonds (distance) C4'-P energy: -127.615
bonds (distance) P-C4' energy: -142.767
flat angles C4'-P-C4' energy: -167.663
flat angles P-C4'-P energy: -109.157
tors. eta vs tors. theta energy: -210.929
Dist. restrs. and SS energy: 8.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2419.506429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.506429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.989173 (E_RNA)
where:
Base-Base interactions energy: -1701.663
where: short stacking energy: -715.216
Base-Backbone interact. energy: -2.677
local terms energy: -722.648895
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -138.668
flat angles C4'-P-C4' energy: -146.367
flat angles P-C4'-P energy: -108.652
tors. eta vs tors. theta energy: -218.806
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: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2297.454151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.454151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.539521 (E_RNA)
where:
Base-Base interactions energy: -1646.619
where: short stacking energy: -679.029
Base-Backbone interact. energy: 0.494
local terms energy: -655.414974
where:
bonds (distance) C4'-P energy: -128.567
bonds (distance) P-C4' energy: -117.236
flat angles C4'-P-C4' energy: -127.944
flat angles P-C4'-P energy: -87.842
tors. eta vs tors. theta energy: -193.826
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: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2266.841708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.841708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.653546 (E_RNA)
where:
Base-Base interactions energy: -1593.804
where: short stacking energy: -656.658
Base-Backbone interact. energy: 2.150
local terms energy: -686.000220
where:
bonds (distance) C4'-P energy: -124.078
bonds (distance) P-C4' energy: -127.348
flat angles C4'-P-C4' energy: -139.024
flat angles P-C4'-P energy: -108.106
tors. eta vs tors. theta energy: -187.444
Dist. restrs. and SS energy: 10.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -2165.320725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.320725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.632635 (E_RNA)
where:
Base-Base interactions energy: -1501.098
where: short stacking energy: -626.067
Base-Backbone interact. energy: -0.514
local terms energy: -674.020140
where:
bonds (distance) C4'-P energy: -120.999
bonds (distance) P-C4' energy: -131.251
flat angles C4'-P-C4' energy: -145.067
flat angles P-C4'-P energy: -81.800
tors. eta vs tors. theta energy: -194.904
Dist. restrs. and SS energy: 10.312 (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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1851.409230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.409230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.088098 (E_RNA)
where:
Base-Base interactions energy: -1337.120
where: short stacking energy: -542.973
Base-Backbone interact. energy: 5.014
local terms energy: -540.981927
where:
bonds (distance) C4'-P energy: -82.287
bonds (distance) P-C4' energy: -109.710
flat angles C4'-P-C4' energy: -115.526
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -144.005
Dist. restrs. and SS energy: 21.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2819.680140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.680140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.498876 (E_RNA)
where:
Base-Base interactions energy: -1962.988
where: short stacking energy: -842.350
Base-Backbone interact. energy: 2.779
local terms energy: -862.290180
where:
bonds (distance) C4'-P energy: -150.269
bonds (distance) P-C4' energy: -140.269
flat angles C4'-P-C4' energy: -181.213
flat angles P-C4'-P energy: -131.145
tors. eta vs tors. theta energy: -259.394
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2680.240082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.240082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.394363 (E_RNA)
where:
Base-Base interactions energy: -1861.055
where: short stacking energy: -781.311
Base-Backbone interact. energy: -3.869
local terms energy: -819.469851
where:
bonds (distance) C4'-P energy: -137.857
bonds (distance) P-C4' energy: -147.404
flat angles C4'-P-C4' energy: -169.028
flat angles P-C4'-P energy: -128.381
tors. eta vs tors. theta energy: -236.799
Dist. restrs. and SS energy: 4.154 (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: 463
Temperature: 1.000000
Total energy: -2572.996771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.996771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.951690 (E_RNA)
where:
Base-Base interactions energy: -1796.000
where: short stacking energy: -788.044
Base-Backbone interact. energy: -4.568
local terms energy: -776.383999
where:
bonds (distance) C4'-P energy: -129.442
bonds (distance) P-C4' energy: -142.183
flat angles C4'-P-C4' energy: -165.558
flat angles P-C4'-P energy: -99.297
tors. eta vs tors. theta energy: -239.904
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2535.946003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.946003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.330573 (E_RNA)
where:
Base-Base interactions energy: -1763.188
where: short stacking energy: -747.921
Base-Backbone interact. energy: -3.445
local terms energy: -775.697043
where:
bonds (distance) C4'-P energy: -128.338
bonds (distance) P-C4' energy: -141.094
flat angles C4'-P-C4' energy: -161.525
flat angles P-C4'-P energy: -117.882
tors. eta vs tors. theta energy: -226.859
Dist. restrs. and SS energy: 6.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2446.574011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.574011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.768951 (E_RNA)
where:
Base-Base interactions energy: -1734.676
where: short stacking energy: -721.566
Base-Backbone interact. energy: -3.544
local terms energy: -720.549420
where:
bonds (distance) C4'-P energy: -126.556
bonds (distance) P-C4' energy: -144.568
flat angles C4'-P-C4' energy: -154.880
flat angles P-C4'-P energy: -89.051
tors. eta vs tors. theta energy: -205.493
Dist. restrs. and SS energy: 12.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2400.445508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.445508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.512852 (E_RNA)
where:
Base-Base interactions energy: -1707.284
where: short stacking energy: -719.442
Base-Backbone interact. energy: -0.570
local terms energy: -695.658672
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -147.639
flat angles P-C4'-P energy: -94.470
tors. eta vs tors. theta energy: -215.440
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2301.352536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.352536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.955891 (E_RNA)
where:
Base-Base interactions energy: -1649.274
where: short stacking energy: -689.403
Base-Backbone interact. energy: -4.815
local terms energy: -653.867177
where:
bonds (distance) C4'-P energy: -115.197
bonds (distance) P-C4' energy: -112.492
flat angles C4'-P-C4' energy: -156.259
flat angles P-C4'-P energy: -83.960
tors. eta vs tors. theta energy: -185.959
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: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2207.182218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.182218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.704984 (E_RNA)
where:
Base-Base interactions energy: -1551.701
where: short stacking energy: -670.769
Base-Backbone interact. energy: -0.813
local terms energy: -661.190838
where:
bonds (distance) C4'-P energy: -109.765
bonds (distance) P-C4' energy: -109.296
flat angles C4'-P-C4' energy: -142.456
flat angles P-C4'-P energy: -99.707
tors. eta vs tors. theta energy: -199.967
Dist. restrs. and SS energy: 6.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -2151.211910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.211910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.323898 (E_RNA)
where:
Base-Base interactions energy: -1510.599
where: short stacking energy: -627.970
Base-Backbone interact. energy: -3.960
local terms energy: -646.764952
where:
bonds (distance) C4'-P energy: -124.546
bonds (distance) P-C4' energy: -101.572
flat angles C4'-P-C4' energy: -146.670
flat angles P-C4'-P energy: -94.181
tors. eta vs tors. theta energy: -179.796
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: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1854.797252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.797252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.616148 (E_RNA)
where:
Base-Base interactions energy: -1315.663
where: short stacking energy: -541.159
Base-Backbone interact. energy: -0.831
local terms energy: -560.121496
where:
bonds (distance) C4'-P energy: -95.164
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -128.092
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -131.722
Dist. restrs. and SS energy: 21.819 (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: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2798.260677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.260677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.620774 (E_RNA)
where:
Base-Base interactions energy: -1965.820
where: short stacking energy: -852.184
Base-Backbone interact. energy: -2.466
local terms energy: -833.335417
where:
bonds (distance) C4'-P energy: -130.574
bonds (distance) P-C4' energy: -151.967
flat angles C4'-P-C4' energy: -175.109
flat angles P-C4'-P energy: -123.719
tors. eta vs tors. theta energy: -251.966
Dist. restrs. and SS energy: 3.360 (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: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2666.563045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.563045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.250822 (E_RNA)
where:
Base-Base interactions energy: -1879.389
where: short stacking energy: -806.202
Base-Backbone interact. energy: -2.823
local terms energy: -788.038712
where:
bonds (distance) C4'-P energy: -138.353
bonds (distance) P-C4' energy: -137.113
flat angles C4'-P-C4' energy: -171.079
flat angles P-C4'-P energy: -112.845
tors. eta vs tors. theta energy: -228.649
Dist. restrs. and SS energy: 3.688 (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: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2582.014320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.014320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.317785 (E_RNA)
where:
Base-Base interactions energy: -1825.553
where: short stacking energy: -773.163
Base-Backbone interact. energy: -4.572
local terms energy: -756.193053
where:
bonds (distance) C4'-P energy: -132.129
bonds (distance) P-C4' energy: -127.997
flat angles C4'-P-C4' energy: -161.233
flat angles P-C4'-P energy: -105.153
tors. eta vs tors. theta energy: -229.682
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2548.921183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.921183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.696355 (E_RNA)
where:
Base-Base interactions energy: -1786.758
where: short stacking energy: -762.787
Base-Backbone interact. energy: -2.013
local terms energy: -764.924960
where:
bonds (distance) C4'-P energy: -144.418
bonds (distance) P-C4' energy: -133.397
flat angles C4'-P-C4' energy: -160.029
flat angles P-C4'-P energy: -98.710
tors. eta vs tors. theta energy: -228.370
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: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2428.666597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.666597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.458015 (E_RNA)
where:
Base-Base interactions energy: -1751.670
where: short stacking energy: -726.691
Base-Backbone interact. energy: -1.460
local terms energy: -681.327679
where:
bonds (distance) C4'-P energy: -117.445
bonds (distance) P-C4' energy: -119.214
flat angles C4'-P-C4' energy: -141.532
flat angles P-C4'-P energy: -95.143
tors. eta vs tors. theta energy: -207.993
Dist. restrs. and SS energy: 5.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2409.567886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.567886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.119536 (E_RNA)
where:
Base-Base interactions energy: -1721.041
where: short stacking energy: -721.881
Base-Backbone interact. energy: -4.940
local terms energy: -689.138934
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -111.315
flat angles C4'-P-C4' energy: -148.965
flat angles P-C4'-P energy: -99.633
tors. eta vs tors. theta energy: -214.990
Dist. restrs. and SS energy: 5.552 (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: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2288.276353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.276353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.436683 (E_RNA)
where:
Base-Base interactions energy: -1604.085
where: short stacking energy: -677.659
Base-Backbone interact. energy: -0.940
local terms energy: -688.411713
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -130.096
flat angles C4'-P-C4' energy: -151.960
flat angles P-C4'-P energy: -109.839
tors. eta vs tors. theta energy: -195.053
Dist. restrs. and SS energy: 5.160 (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: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2207.692960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.692960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.261463 (E_RNA)
where:
Base-Base interactions energy: -1568.537
where: short stacking energy: -634.757
Base-Backbone interact. energy: 3.502
local terms energy: -651.226356
where:
bonds (distance) C4'-P energy: -118.308
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -142.894
flat angles P-C4'-P energy: -90.234
tors. eta vs tors. theta energy: -178.448
Dist. restrs. and SS energy: 8.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -2131.560379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.560379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.362916 (E_RNA)
where:
Base-Base interactions energy: -1513.052
where: short stacking energy: -641.675
Base-Backbone interact. energy: -0.842
local terms energy: -624.468250
where:
bonds (distance) C4'-P energy: -108.487
bonds (distance) P-C4' energy: -96.644
flat angles C4'-P-C4' energy: -139.230
flat angles P-C4'-P energy: -87.947
tors. eta vs tors. theta energy: -192.161
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: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1878.127072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.127072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.217746 (E_RNA)
where:
Base-Base interactions energy: -1348.868
where: short stacking energy: -547.295
Base-Backbone interact. energy: -1.317
local terms energy: -557.032759
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -92.686
flat angles C4'-P-C4' energy: -135.641
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -145.064
Dist. restrs. and SS energy: 29.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2778.288254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.288254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.552991 (E_RNA)
where:
Base-Base interactions energy: -1936.648
where: short stacking energy: -844.007
Base-Backbone interact. energy: -1.687
local terms energy: -844.218178
where:
bonds (distance) C4'-P energy: -147.732
bonds (distance) P-C4' energy: -146.202
flat angles C4'-P-C4' energy: -167.107
flat angles P-C4'-P energy: -130.559
tors. eta vs tors. theta energy: -252.618
Dist. restrs. and SS energy: 4.265 (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: 465
Temperature: 0.950000
Total energy: -2660.752716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.752716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.044220 (E_RNA)
where:
Base-Base interactions energy: -1893.065
where: short stacking energy: -766.443
Base-Backbone interact. energy: -2.026
local terms energy: -768.953712
where:
bonds (distance) C4'-P energy: -143.136
bonds (distance) P-C4' energy: -133.035
flat angles C4'-P-C4' energy: -153.258
flat angles P-C4'-P energy: -113.029
tors. eta vs tors. theta energy: -226.497
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: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2600.334589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.334589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.612532 (E_RNA)
where:
Base-Base interactions energy: -1838.429
where: short stacking energy: -771.777
Base-Backbone interact. energy: -2.240
local terms energy: -762.943491
where:
bonds (distance) C4'-P energy: -132.188
bonds (distance) P-C4' energy: -135.793
flat angles C4'-P-C4' energy: -153.656
flat angles P-C4'-P energy: -99.747
tors. eta vs tors. theta energy: -241.560
Dist. restrs. and SS energy: 3.278 (S_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: 465
Temperature: 1.050000
Total energy: -2550.525213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.525213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.101693 (E_RNA)
where:
Base-Base interactions energy: -1780.833
where: short stacking energy: -749.884
Base-Backbone interact. energy: -3.394
local terms energy: -771.874718
where:
bonds (distance) C4'-P energy: -123.968
bonds (distance) P-C4' energy: -134.761
flat angles C4'-P-C4' energy: -178.991
flat angles P-C4'-P energy: -124.181
tors. eta vs tors. theta energy: -209.974
Dist. restrs. and SS energy: 5.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2486.819087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.819087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.051323 (E_RNA)
where:
Base-Base interactions energy: -1762.005
where: short stacking energy: -711.590
Base-Backbone interact. energy: -1.011
local terms energy: -729.036035
where:
bonds (distance) C4'-P energy: -131.529
bonds (distance) P-C4' energy: -140.547
flat angles C4'-P-C4' energy: -158.757
flat angles P-C4'-P energy: -99.004
tors. eta vs tors. theta energy: -199.199
Dist. restrs. and SS energy: 5.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2394.964247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.964247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.892872 (E_RNA)
where:
Base-Base interactions energy: -1697.794
where: short stacking energy: -706.851
Base-Backbone interact. energy: -2.260
local terms energy: -698.838847
where:
bonds (distance) C4'-P energy: -111.929
bonds (distance) P-C4' energy: -136.986
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -89.687
tors. eta vs tors. theta energy: -207.563
Dist. restrs. and SS energy: 3.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2280.234354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.234354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.483835 (E_RNA)
where:
Base-Base interactions energy: -1599.909
where: short stacking energy: -656.478
Base-Backbone interact. energy: -1.261
local terms energy: -685.313680
where:
bonds (distance) C4'-P energy: -126.066
bonds (distance) P-C4' energy: -128.978
flat angles C4'-P-C4' energy: -145.995
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -187.603
Dist. restrs. and SS energy: 6.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2250.012827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.012827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.591960 (E_RNA)
where:
Base-Base interactions energy: -1583.664
where: short stacking energy: -645.659
Base-Backbone interact. energy: -3.254
local terms energy: -669.674537
where:
bonds (distance) C4'-P energy: -121.487
bonds (distance) P-C4' energy: -100.521
flat angles C4'-P-C4' energy: -151.188
flat angles P-C4'-P energy: -101.362
tors. eta vs tors. theta energy: -195.116
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -2161.280546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.280546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.058523 (E_RNA)
where:
Base-Base interactions energy: -1549.093
where: short stacking energy: -624.854
Base-Backbone interact. energy: -3.060
local terms energy: -618.905897
where:
bonds (distance) C4'-P energy: -119.074
bonds (distance) P-C4' energy: -108.231
flat angles C4'-P-C4' energy: -141.435
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -178.453
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: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1883.686486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.686486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.730802 (E_RNA)
where:
Base-Base interactions energy: -1330.498
where: short stacking energy: -550.759
Base-Backbone interact. energy: 0.687
local terms energy: -574.919863
where:
bonds (distance) C4'-P energy: -120.201
bonds (distance) P-C4' energy: -113.829
flat angles C4'-P-C4' energy: -119.050
flat angles P-C4'-P energy: -83.202
tors. eta vs tors. theta energy: -138.638
Dist. restrs. and SS energy: 21.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2802.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.761245 (E_RNA)
where:
Base-Base interactions energy: -1948.642
where: short stacking energy: -843.138
Base-Backbone interact. energy: -3.026
local terms energy: -854.093622
where:
bonds (distance) C4'-P energy: -138.730
bonds (distance) P-C4' energy: -137.667
flat angles C4'-P-C4' energy: -182.057
flat angles P-C4'-P energy: -126.547
tors. eta vs tors. theta energy: -269.092
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2649.334031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.334031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.669750 (E_RNA)
where:
Base-Base interactions energy: -1848.419
where: short stacking energy: -784.188
Base-Backbone interact. energy: 0.610
local terms energy: -805.860196
where:
bonds (distance) C4'-P energy: -138.578
bonds (distance) P-C4' energy: -138.769
flat angles C4'-P-C4' energy: -161.104
flat angles P-C4'-P energy: -122.366
tors. eta vs tors. theta energy: -245.044
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: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2629.951390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.951390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.669201 (E_RNA)
where:
Base-Base interactions energy: -1867.650
where: short stacking energy: -785.777
Base-Backbone interact. energy: -2.925
local terms energy: -765.094024
where:
bonds (distance) C4'-P energy: -125.188
bonds (distance) P-C4' energy: -121.571
flat angles C4'-P-C4' energy: -170.531
flat angles P-C4'-P energy: -108.895
tors. eta vs tors. theta energy: -238.909
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: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2546.780424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.780424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.614247 (E_RNA)
where:
Base-Base interactions energy: -1776.566
where: short stacking energy: -770.176
Base-Backbone interact. energy: -1.757
local terms energy: -774.291590
where:
bonds (distance) C4'-P energy: -134.730
bonds (distance) P-C4' energy: -127.939
flat angles C4'-P-C4' energy: -162.326
flat angles P-C4'-P energy: -119.136
tors. eta vs tors. theta energy: -230.160
Dist. restrs. and SS energy: 5.834 (S_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: 466
Temperature: 1.100000
Total energy: -2432.261323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.261323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.222894 (E_RNA)
where:
Base-Base interactions energy: -1721.186
where: short stacking energy: -722.407
Base-Backbone interact. energy: -2.244
local terms energy: -714.792412
where:
bonds (distance) C4'-P energy: -126.622
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -160.976
flat angles P-C4'-P energy: -98.290
tors. eta vs tors. theta energy: -209.848
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: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2372.765081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.765081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.782202 (E_RNA)
where:
Base-Base interactions energy: -1698.398
where: short stacking energy: -682.635
Base-Backbone interact. energy: -2.867
local terms energy: -677.517117
where:
bonds (distance) C4'-P energy: -124.652
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -155.396
flat angles P-C4'-P energy: -90.610
tors. eta vs tors. theta energy: -193.909
Dist. restrs. and SS energy: 6.017 (S_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: 466
Temperature: 1.200000
Total energy: -2292.629159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.629159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.315012 (E_RNA)
where:
Base-Base interactions energy: -1608.421
where: short stacking energy: -639.596
Base-Backbone interact. energy: -2.595
local terms energy: -690.299173
where:
bonds (distance) C4'-P energy: -113.306
bonds (distance) P-C4' energy: -139.278
flat angles C4'-P-C4' energy: -154.082
flat angles P-C4'-P energy: -94.102
tors. eta vs tors. theta energy: -189.530
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: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2185.360865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.360865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.510962 (E_RNA)
where:
Base-Base interactions energy: -1551.269
where: short stacking energy: -651.659
Base-Backbone interact. energy: 0.273
local terms energy: -641.514465
where:
bonds (distance) C4'-P energy: -106.184
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -148.393
flat angles P-C4'-P energy: -94.601
tors. eta vs tors. theta energy: -190.579
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: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -2118.498185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.498185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.637106 (E_RNA)
where:
Base-Base interactions energy: -1503.745
where: short stacking energy: -635.023
Base-Backbone interact. energy: 4.270
local terms energy: -630.161721
where:
bonds (distance) C4'-P energy: -116.972
bonds (distance) P-C4' energy: -103.324
flat angles C4'-P-C4' energy: -135.863
flat angles P-C4'-P energy: -85.269
tors. eta vs tors. theta energy: -188.734
Dist. restrs. and SS energy: 11.139 (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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1956.929815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.929815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.916633 (E_RNA)
where:
Base-Base interactions energy: -1373.348
where: short stacking energy: -598.957
Base-Backbone interact. energy: -3.104
local terms energy: -608.464319
where:
bonds (distance) C4'-P energy: -116.962
bonds (distance) P-C4' energy: -111.719
flat angles C4'-P-C4' energy: -128.700
flat angles P-C4'-P energy: -79.686
tors. eta vs tors. theta energy: -171.398
Dist. restrs. and SS energy: 27.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2827.554949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.554949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.770881 (E_RNA)
where:
Base-Base interactions energy: -1963.601
where: short stacking energy: -853.027
Base-Backbone interact. energy: -0.264
local terms energy: -866.906247
where:
bonds (distance) C4'-P energy: -147.663
bonds (distance) P-C4' energy: -159.407
flat angles C4'-P-C4' energy: -181.487
flat angles P-C4'-P energy: -121.555
tors. eta vs tors. theta energy: -256.795
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2684.303343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.303343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.592402 (E_RNA)
where:
Base-Base interactions energy: -1896.815
where: short stacking energy: -837.360
Base-Backbone interact. energy: -4.534
local terms energy: -788.243311
where:
bonds (distance) C4'-P energy: -127.376
bonds (distance) P-C4' energy: -123.569
flat angles C4'-P-C4' energy: -178.705
flat angles P-C4'-P energy: -110.896
tors. eta vs tors. theta energy: -247.697
Dist. restrs. and SS energy: 5.289 (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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2643.285523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.285523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.552854 (E_RNA)
where:
Base-Base interactions energy: -1863.011
where: short stacking energy: -795.350
Base-Backbone interact. energy: -3.093
local terms energy: -780.448222
where:
bonds (distance) C4'-P energy: -128.473
bonds (distance) P-C4' energy: -136.598
flat angles C4'-P-C4' energy: -168.032
flat angles P-C4'-P energy: -114.402
tors. eta vs tors. theta energy: -232.944
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: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2536.342925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.342925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.220617 (E_RNA)
where:
Base-Base interactions energy: -1799.696
where: short stacking energy: -769.336
Base-Backbone interact. energy: -3.474
local terms energy: -736.049851
where:
bonds (distance) C4'-P energy: -113.653
bonds (distance) P-C4' energy: -125.406
flat angles C4'-P-C4' energy: -155.944
flat angles P-C4'-P energy: -115.248
tors. eta vs tors. theta energy: -225.799
Dist. restrs. and SS energy: 2.878 (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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2459.269251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.269251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.702567 (E_RNA)
where:
Base-Base interactions energy: -1718.162
where: short stacking energy: -740.492
Base-Backbone interact. energy: -3.175
local terms energy: -742.365362
where:
bonds (distance) C4'-P energy: -124.430
bonds (distance) P-C4' energy: -145.820
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -101.831
tors. eta vs tors. theta energy: -216.401
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2369.439118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.439118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.612002 (E_RNA)
where:
Base-Base interactions energy: -1672.348
where: short stacking energy: -700.875
Base-Backbone interact. energy: -3.948
local terms energy: -699.316117
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -127.870
flat angles C4'-P-C4' energy: -158.264
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -211.906
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: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2264.582927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.582927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.879609 (E_RNA)
where:
Base-Base interactions energy: -1603.643
where: short stacking energy: -656.700
Base-Backbone interact. energy: -2.115
local terms energy: -667.121750
where:
bonds (distance) C4'-P energy: -101.147
bonds (distance) P-C4' energy: -124.299
flat angles C4'-P-C4' energy: -145.370
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -198.500
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: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2205.913875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.913875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.556049 (E_RNA)
where:
Base-Base interactions energy: -1574.333
where: short stacking energy: -664.096
Base-Backbone interact. energy: -1.830
local terms energy: -639.392662
where:
bonds (distance) C4'-P energy: -95.818
bonds (distance) P-C4' energy: -123.492
flat angles C4'-P-C4' energy: -142.852
flat angles P-C4'-P energy: -91.067
tors. eta vs tors. theta energy: -186.164
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: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -2148.757533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.757533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.250419 (E_RNA)
where:
Base-Base interactions energy: -1515.601
where: short stacking energy: -633.290
Base-Backbone interact. energy: -5.677
local terms energy: -636.972400
where:
bonds (distance) C4'-P energy: -121.809
bonds (distance) P-C4' energy: -101.693
flat angles C4'-P-C4' energy: -145.986
flat angles P-C4'-P energy: -78.181
tors. eta vs tors. theta energy: -189.303
Dist. restrs. and SS energy: 9.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1944.212043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.212043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.567364 (E_RNA)
where:
Base-Base interactions energy: -1392.939
where: short stacking energy: -569.881
Base-Backbone interact. energy: -2.179
local terms energy: -568.450044
where:
bonds (distance) C4'-P energy: -110.770
bonds (distance) P-C4' energy: -101.726
flat angles C4'-P-C4' energy: -135.208
flat angles P-C4'-P energy: -63.982
tors. eta vs tors. theta energy: -156.763
Dist. restrs. and SS energy: 19.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2793.186128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.186128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.988569 (E_RNA)
where:
Base-Base interactions energy: -1949.602
where: short stacking energy: -820.936
Base-Backbone interact. energy: -3.761
local terms energy: -842.625895
where:
bonds (distance) C4'-P energy: -147.562
bonds (distance) P-C4' energy: -150.360
flat angles C4'-P-C4' energy: -185.358
flat angles P-C4'-P energy: -112.487
tors. eta vs tors. theta energy: -246.859
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2704.406756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.406756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.796450 (E_RNA)
where:
Base-Base interactions energy: -1910.359
where: short stacking energy: -796.192
Base-Backbone interact. energy: -2.045
local terms energy: -798.392718
where:
bonds (distance) C4'-P energy: -142.859
bonds (distance) P-C4' energy: -145.095
flat angles C4'-P-C4' energy: -166.036
flat angles P-C4'-P energy: -111.145
tors. eta vs tors. theta energy: -233.258
Dist. restrs. and SS energy: 6.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2613.180667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.180667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.748849 (E_RNA)
where:
Base-Base interactions energy: -1811.513
where: short stacking energy: -771.754
Base-Backbone interact. energy: -4.857
local terms energy: -800.378670
where:
bonds (distance) C4'-P energy: -133.896
bonds (distance) P-C4' energy: -133.524
flat angles C4'-P-C4' energy: -174.068
flat angles P-C4'-P energy: -110.412
tors. eta vs tors. theta energy: -248.480
Dist. restrs. and SS energy: 3.568 (S_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: 468
Temperature: 1.050000
Total energy: -2521.274251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.274251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.688607 (E_RNA)
where:
Base-Base interactions energy: -1767.294
where: short stacking energy: -748.445
Base-Backbone interact. energy: -1.882
local terms energy: -756.511755
where:
bonds (distance) C4'-P energy: -141.050
bonds (distance) P-C4' energy: -127.802
flat angles C4'-P-C4' energy: -160.631
flat angles P-C4'-P energy: -108.021
tors. eta vs tors. theta energy: -219.008
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: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2490.358017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.358017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.086935 (E_RNA)
where:
Base-Base interactions energy: -1762.999
where: short stacking energy: -715.686
Base-Backbone interact. energy: 0.282
local terms energy: -732.370341
where:
bonds (distance) C4'-P energy: -129.091
bonds (distance) P-C4' energy: -130.308
flat angles C4'-P-C4' energy: -149.846
flat angles P-C4'-P energy: -101.003
tors. eta vs tors. theta energy: -222.123
Dist. restrs. and SS energy: 4.729 (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: 468
Temperature: 1.150000
Total energy: -2360.678456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.678456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.126395 (E_RNA)
where:
Base-Base interactions energy: -1657.713
where: short stacking energy: -701.511
Base-Backbone interact. energy: -1.976
local terms energy: -709.437638
where:
bonds (distance) C4'-P energy: -118.543
bonds (distance) P-C4' energy: -138.695
flat angles C4'-P-C4' energy: -149.209
flat angles P-C4'-P energy: -99.831
tors. eta vs tors. theta energy: -203.159
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: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2236.866428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.866428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.032443 (E_RNA)
where:
Base-Base interactions energy: -1581.633
where: short stacking energy: -646.674
Base-Backbone interact. energy: -2.450
local terms energy: -660.950111
where:
bonds (distance) C4'-P energy: -118.766
bonds (distance) P-C4' energy: -144.527
flat angles C4'-P-C4' energy: -141.261
flat angles P-C4'-P energy: -73.584
tors. eta vs tors. theta energy: -182.811
Dist. restrs. and SS energy: 8.166 (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: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2219.087494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.087494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.984934 (E_RNA)
where:
Base-Base interactions energy: -1555.203
where: short stacking energy: -647.551
Base-Backbone interact. energy: -5.512
local terms energy: -666.269891
where:
bonds (distance) C4'-P energy: -122.046
bonds (distance) P-C4' energy: -113.856
flat angles C4'-P-C4' energy: -156.126
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -199.216
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: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -2175.326932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.326932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.104567 (E_RNA)
where:
Base-Base interactions energy: -1540.002
where: short stacking energy: -656.158
Base-Backbone interact. energy: -2.177
local terms energy: -640.925041
where:
bonds (distance) C4'-P energy: -109.703
bonds (distance) P-C4' energy: -126.998
flat angles C4'-P-C4' energy: -143.620
flat angles P-C4'-P energy: -75.270
tors. eta vs tors. theta energy: -185.334
Dist. restrs. and SS energy: 7.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1932.978991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.978991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.846761 (E_RNA)
where:
Base-Base interactions energy: -1376.897
where: short stacking energy: -577.007
Base-Backbone interact. energy: 6.284
local terms energy: -587.233871
where:
bonds (distance) C4'-P energy: -111.926
bonds (distance) P-C4' energy: -104.707
flat angles C4'-P-C4' energy: -140.334
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -147.728
Dist. restrs. and SS energy: 24.868 (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: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2804.041487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.626722 (E_RNA)
where:
Base-Base interactions energy: -1947.763
where: short stacking energy: -818.639
Base-Backbone interact. energy: 0.604
local terms energy: -860.468439
where:
bonds (distance) C4'-P energy: -147.806
bonds (distance) P-C4' energy: -149.857
flat angles C4'-P-C4' energy: -174.063
flat angles P-C4'-P energy: -124.349
tors. eta vs tors. theta energy: -264.393
Dist. restrs. and SS energy: 3.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2690.858806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.858806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.271861 (E_RNA)
where:
Base-Base interactions energy: -1865.151
where: short stacking energy: -795.373
Base-Backbone interact. energy: -1.598
local terms energy: -829.522566
where:
bonds (distance) C4'-P energy: -145.810
bonds (distance) P-C4' energy: -148.684
flat angles C4'-P-C4' energy: -172.808
flat angles P-C4'-P energy: -121.372
tors. eta vs tors. theta energy: -240.849
Dist. restrs. and SS energy: 5.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2616.719017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.719017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.997382 (E_RNA)
where:
Base-Base interactions energy: -1837.732
where: short stacking energy: -780.708
Base-Backbone interact. energy: 0.008
local terms energy: -782.273272
where:
bonds (distance) C4'-P energy: -132.854
bonds (distance) P-C4' energy: -149.065
flat angles C4'-P-C4' energy: -157.889
flat angles P-C4'-P energy: -102.536
tors. eta vs tors. theta energy: -239.928
Dist. restrs. and SS energy: 3.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2534.492966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.492966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.345313 (E_RNA)
where:
Base-Base interactions energy: -1768.928
where: short stacking energy: -746.438
Base-Backbone interact. energy: -1.027
local terms energy: -768.390037
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -143.774
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -106.521
tors. eta vs tors. theta energy: -221.385
Dist. restrs. and SS energy: 3.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2483.376226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.376226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.885875 (E_RNA)
where:
Base-Base interactions energy: -1744.486
where: short stacking energy: -743.736
Base-Backbone interact. energy: -1.407
local terms energy: -740.993292
where:
bonds (distance) C4'-P energy: -124.082
bonds (distance) P-C4' energy: -140.793
flat angles C4'-P-C4' energy: -158.374
flat angles P-C4'-P energy: -98.072
tors. eta vs tors. theta energy: -219.673
Dist. restrs. and SS energy: 3.510 (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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2360.947750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.947750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.257534 (E_RNA)
where:
Base-Base interactions energy: -1661.297
where: short stacking energy: -703.884
Base-Backbone interact. energy: -0.355
local terms energy: -710.605553
where:
bonds (distance) C4'-P energy: -130.547
bonds (distance) P-C4' energy: -114.793
flat angles C4'-P-C4' energy: -162.261
flat angles P-C4'-P energy: -92.100
tors. eta vs tors. theta energy: -210.904
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: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2203.779805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.779805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.396918 (E_RNA)
where:
Base-Base interactions energy: -1570.053
where: short stacking energy: -653.930
Base-Backbone interact. energy: -2.060
local terms energy: -643.284447
where:
bonds (distance) C4'-P energy: -110.245
bonds (distance) P-C4' energy: -124.759
flat angles C4'-P-C4' energy: -133.566
flat angles P-C4'-P energy: -84.072
tors. eta vs tors. theta energy: -190.642
Dist. restrs. and SS energy: 11.617 (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: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2205.085619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.085619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.627857 (E_RNA)
where:
Base-Base interactions energy: -1599.524
where: short stacking energy: -683.455
Base-Backbone interact. energy: 2.767
local terms energy: -613.871182
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -114.508
flat angles C4'-P-C4' energy: -124.852
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -190.438
Dist. restrs. and SS energy: 5.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -2138.188145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.188145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.625833 (E_RNA)
where:
Base-Base interactions energy: -1502.823
where: short stacking energy: -620.814
Base-Backbone interact. energy: -3.717
local terms energy: -640.085430
where:
bonds (distance) C4'-P energy: -102.737
bonds (distance) P-C4' energy: -114.500
flat angles C4'-P-C4' energy: -146.725
flat angles P-C4'-P energy: -94.560
tors. eta vs tors. theta energy: -181.565
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: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1900.242726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.242726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.104269 (E_RNA)
where:
Base-Base interactions energy: -1362.070
where: short stacking energy: -569.264
Base-Backbone interact. energy: -1.927
local terms energy: -553.107181
where:
bonds (distance) C4'-P energy: -107.843
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -106.678
flat angles P-C4'-P energy: -80.915
tors. eta vs tors. theta energy: -164.760
Dist. restrs. and SS energy: 16.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2772.521627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.521627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.805363 (E_RNA)
where:
Base-Base interactions energy: -1928.230
where: short stacking energy: -817.760
Base-Backbone interact. energy: -1.732
local terms energy: -846.843236
where:
bonds (distance) C4'-P energy: -144.414
bonds (distance) P-C4' energy: -145.475
flat angles C4'-P-C4' energy: -178.660
flat angles P-C4'-P energy: -122.506
tors. eta vs tors. theta energy: -255.788
Dist. restrs. and SS energy: 4.284 (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: 470
Temperature: 0.950000
Total energy: -2696.014880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.014880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.156593 (E_RNA)
where:
Base-Base interactions energy: -1910.112
where: short stacking energy: -796.642
Base-Backbone interact. energy: -4.068
local terms energy: -784.975774
where:
bonds (distance) C4'-P energy: -117.324
bonds (distance) P-C4' energy: -148.886
flat angles C4'-P-C4' energy: -165.876
flat angles P-C4'-P energy: -122.497
tors. eta vs tors. theta energy: -230.392
Dist. restrs. and SS energy: 3.142 (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: 470
Temperature: 1.000000
Total energy: -2622.429142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.429142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.989203 (E_RNA)
where:
Base-Base interactions energy: -1841.757
where: short stacking energy: -790.537
Base-Backbone interact. energy: -3.097
local terms energy: -781.135427
where:
bonds (distance) C4'-P energy: -134.492
bonds (distance) P-C4' energy: -135.807
flat angles C4'-P-C4' energy: -169.314
flat angles P-C4'-P energy: -105.391
tors. eta vs tors. theta energy: -236.131
Dist. restrs. and SS energy: 3.560 (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: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2540.047128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.047128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.351550 (E_RNA)
where:
Base-Base interactions energy: -1781.778
where: short stacking energy: -755.870
Base-Backbone interact. energy: -0.594
local terms energy: -760.979770
where:
bonds (distance) C4'-P energy: -132.682
bonds (distance) P-C4' energy: -132.835
flat angles C4'-P-C4' energy: -160.115
flat angles P-C4'-P energy: -105.961
tors. eta vs tors. theta energy: -229.386
Dist. restrs. and SS energy: 3.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2515.732127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.325001 (E_RNA)
where:
Base-Base interactions energy: -1763.286
where: short stacking energy: -765.486
Base-Backbone interact. energy: 2.646
local terms energy: -763.685169
where:
bonds (distance) C4'-P energy: -132.818
bonds (distance) P-C4' energy: -143.893
flat angles C4'-P-C4' energy: -158.892
flat angles P-C4'-P energy: -107.675
tors. eta vs tors. theta energy: -220.407
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2389.431324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.638526 (E_RNA)
where:
Base-Base interactions energy: -1692.818
where: short stacking energy: -716.986
Base-Backbone interact. energy: -3.102
local terms energy: -705.717724
where:
bonds (distance) C4'-P energy: -112.287
bonds (distance) P-C4' energy: -126.297
flat angles C4'-P-C4' energy: -157.268
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -202.734
Dist. restrs. and SS energy: 12.207 (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: 470
Temperature: 1.200000
Total energy: -2289.707264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.707264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.704213 (E_RNA)
where:
Base-Base interactions energy: -1617.835
where: short stacking energy: -673.745
Base-Backbone interact. energy: -0.649
local terms energy: -678.220747
where:
bonds (distance) C4'-P energy: -120.409
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -147.900
flat angles P-C4'-P energy: -92.364
tors. eta vs tors. theta energy: -209.562
Dist. restrs. and SS energy: 6.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2120.930323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.930323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.531881 (E_RNA)
where:
Base-Base interactions energy: -1464.371
where: short stacking energy: -623.320
Base-Backbone interact. energy: -2.811
local terms energy: -663.349701
where:
bonds (distance) C4'-P energy: -131.032
bonds (distance) P-C4' energy: -126.493
flat angles C4'-P-C4' energy: -143.509
flat angles P-C4'-P energy: -71.251
tors. eta vs tors. theta energy: -191.064
Dist. restrs. and SS energy: 9.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -2184.602877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.602877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.204484 (E_RNA)
where:
Base-Base interactions energy: -1561.642
where: short stacking energy: -666.530
Base-Backbone interact. energy: 0.215
local terms energy: -633.777679
where:
bonds (distance) C4'-P energy: -118.590
bonds (distance) P-C4' energy: -87.926
flat angles C4'-P-C4' energy: -139.711
flat angles P-C4'-P energy: -95.378
tors. eta vs tors. theta energy: -192.172
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: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1892.102056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.102056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.560432 (E_RNA)
where:
Base-Base interactions energy: -1355.309
where: short stacking energy: -574.659
Base-Backbone interact. energy: -3.565
local terms energy: -556.686651
where:
bonds (distance) C4'-P energy: -115.418
bonds (distance) P-C4' energy: -105.495
flat angles C4'-P-C4' energy: -114.442
flat angles P-C4'-P energy: -64.118
tors. eta vs tors. theta energy: -157.214
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: 471
Temperature: 0.900000
Total energy: -2791.557804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.557804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.587636 (E_RNA)
where:
Base-Base interactions energy: -1963.743
where: short stacking energy: -852.745
Base-Backbone interact. energy: -2.437
local terms energy: -829.408380
where:
bonds (distance) C4'-P energy: -146.968
bonds (distance) P-C4' energy: -138.062
flat angles C4'-P-C4' energy: -168.782
flat angles P-C4'-P energy: -123.273
tors. eta vs tors. theta energy: -252.323
Dist. restrs. and SS energy: 4.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2666.113948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.113948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.587609 (E_RNA)
where:
Base-Base interactions energy: -1876.694
where: short stacking energy: -780.975
Base-Backbone interact. energy: -3.414
local terms energy: -790.478912
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -141.676
flat angles C4'-P-C4' energy: -175.016
flat angles P-C4'-P energy: -118.582
tors. eta vs tors. theta energy: -228.252
Dist. restrs. and SS energy: 4.474 (S_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: 471
Temperature: 1.000000
Total energy: -2633.492051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.492051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.145233 (E_RNA)
where:
Base-Base interactions energy: -1833.444
where: short stacking energy: -796.312
Base-Backbone interact. energy: -2.345
local terms energy: -802.356282
where:
bonds (distance) C4'-P energy: -134.889
bonds (distance) P-C4' energy: -134.812
flat angles C4'-P-C4' energy: -175.623
flat angles P-C4'-P energy: -119.344
tors. eta vs tors. theta energy: -237.688
Dist. restrs. and SS energy: 4.653 (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: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2509.118905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.118905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.585290 (E_RNA)
where:
Base-Base interactions energy: -1762.574
where: short stacking energy: -749.187
Base-Backbone interact. energy: 4.149
local terms energy: -755.160591
where:
bonds (distance) C4'-P energy: -124.698
bonds (distance) P-C4' energy: -129.820
flat angles C4'-P-C4' energy: -157.230
flat angles P-C4'-P energy: -113.246
tors. eta vs tors. theta energy: -230.167
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2531.170440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.170440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.395539 (E_RNA)
where:
Base-Base interactions energy: -1783.738
where: short stacking energy: -738.204
Base-Backbone interact. energy: -2.332
local terms energy: -751.325786
where:
bonds (distance) C4'-P energy: -116.867
bonds (distance) P-C4' energy: -136.273
flat angles C4'-P-C4' energy: -153.074
flat angles P-C4'-P energy: -115.129
tors. eta vs tors. theta energy: -229.983
Dist. restrs. and SS energy: 6.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2396.160379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.160379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.765817 (E_RNA)
where:
Base-Base interactions energy: -1690.999
where: short stacking energy: -721.172
Base-Backbone interact. energy: -1.821
local terms energy: -708.946186
where:
bonds (distance) C4'-P energy: -109.245
bonds (distance) P-C4' energy: -121.730
flat angles C4'-P-C4' energy: -153.340
flat angles P-C4'-P energy: -103.361
tors. eta vs tors. theta energy: -221.269
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: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2256.200910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.200910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.631658 (E_RNA)
where:
Base-Base interactions energy: -1601.031
where: short stacking energy: -675.462
Base-Backbone interact. energy: 3.470
local terms energy: -667.070455
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -101.069
flat angles C4'-P-C4' energy: -149.977
flat angles P-C4'-P energy: -101.188
tors. eta vs tors. theta energy: -195.503
Dist. restrs. and SS energy: 8.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2198.716520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.716520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.039672 (E_RNA)
where:
Base-Base interactions energy: -1544.132
where: short stacking energy: -639.051
Base-Backbone interact. energy: 4.353
local terms energy: -669.260185
where:
bonds (distance) C4'-P energy: -116.152
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -159.698
flat angles P-C4'-P energy: -92.944
tors. eta vs tors. theta energy: -178.698
Dist. restrs. and SS energy: 10.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -2148.613737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.613737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.086597 (E_RNA)
where:
Base-Base interactions energy: -1522.837
where: short stacking energy: -631.043
Base-Backbone interact. energy: -0.144
local terms energy: -635.105871
where:
bonds (distance) C4'-P energy: -111.189
bonds (distance) P-C4' energy: -130.663
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -170.774
Dist. restrs. and SS energy: 9.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1895.367684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.367684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.676353 (E_RNA)
where:
Base-Base interactions energy: -1382.513
where: short stacking energy: -565.364
Base-Backbone interact. energy: -2.398
local terms energy: -544.765402
where:
bonds (distance) C4'-P energy: -102.303
bonds (distance) P-C4' energy: -107.247
flat angles C4'-P-C4' energy: -125.171
flat angles P-C4'-P energy: -52.388
tors. eta vs tors. theta energy: -157.657
Dist. restrs. and SS energy: 34.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2756.241466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.241466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.422679 (E_RNA)
where:
Base-Base interactions energy: -1931.669
where: short stacking energy: -830.957
Base-Backbone interact. energy: -3.887
local terms energy: -825.866114
where:
bonds (distance) C4'-P energy: -141.624
bonds (distance) P-C4' energy: -146.833
flat angles C4'-P-C4' energy: -176.414
flat angles P-C4'-P energy: -112.683
tors. eta vs tors. theta energy: -248.313
Dist. restrs. and SS energy: 5.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2676.144701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.144701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.659400 (E_RNA)
where:
Base-Base interactions energy: -1883.526
where: short stacking energy: -771.705
Base-Backbone interact. energy: -2.475
local terms energy: -794.659050
where:
bonds (distance) C4'-P energy: -122.690
bonds (distance) P-C4' energy: -144.314
flat angles C4'-P-C4' energy: -174.066
flat angles P-C4'-P energy: -126.006
tors. eta vs tors. theta energy: -227.584
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: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2629.812570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.812570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.737088 (E_RNA)
where:
Base-Base interactions energy: -1825.201
where: short stacking energy: -778.499
Base-Backbone interact. energy: -2.597
local terms energy: -805.938751
where:
bonds (distance) C4'-P energy: -142.088
bonds (distance) P-C4' energy: -135.424
flat angles C4'-P-C4' energy: -163.116
flat angles P-C4'-P energy: -127.718
tors. eta vs tors. theta energy: -237.593
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2495.789820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.789820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.643153 (E_RNA)
where:
Base-Base interactions energy: -1739.329
where: short stacking energy: -743.156
Base-Backbone interact. energy: -4.062
local terms energy: -757.252333
where:
bonds (distance) C4'-P energy: -119.891
bonds (distance) P-C4' energy: -149.279
flat angles C4'-P-C4' energy: -152.361
flat angles P-C4'-P energy: -109.101
tors. eta vs tors. theta energy: -226.621
Dist. restrs. and SS energy: 4.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2484.169401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.169401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.750234 (E_RNA)
where:
Base-Base interactions energy: -1737.890
where: short stacking energy: -730.452
Base-Backbone interact. energy: -0.893
local terms energy: -750.967533
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -124.942
flat angles C4'-P-C4' energy: -153.012
flat angles P-C4'-P energy: -113.852
tors. eta vs tors. theta energy: -220.312
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: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2359.294811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.294811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.028382 (E_RNA)
where:
Base-Base interactions energy: -1672.777
where: short stacking energy: -688.051
Base-Backbone interact. energy: 1.114
local terms energy: -695.365711
where:
bonds (distance) C4'-P energy: -107.894
bonds (distance) P-C4' energy: -143.428
flat angles C4'-P-C4' energy: -145.601
flat angles P-C4'-P energy: -95.217
tors. eta vs tors. theta energy: -203.226
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: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2266.938123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.938123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.849689 (E_RNA)
where:
Base-Base interactions energy: -1636.293
where: short stacking energy: -690.010
Base-Backbone interact. energy: 0.329
local terms energy: -637.885876
where:
bonds (distance) C4'-P energy: -109.642
bonds (distance) P-C4' energy: -105.672
flat angles C4'-P-C4' energy: -137.837
flat angles P-C4'-P energy: -82.174
tors. eta vs tors. theta energy: -202.561
Dist. restrs. and SS energy: 6.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2204.566085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.566085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.736323 (E_RNA)
where:
Base-Base interactions energy: -1545.391
where: short stacking energy: -639.706
Base-Backbone interact. energy: 0.263
local terms energy: -666.607776
where:
bonds (distance) C4'-P energy: -117.128
bonds (distance) P-C4' energy: -107.519
flat angles C4'-P-C4' energy: -151.273
flat angles P-C4'-P energy: -89.764
tors. eta vs tors. theta energy: -200.924
Dist. restrs. and SS energy: 7.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -2096.116252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.116252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.429163 (E_RNA)
where:
Base-Base interactions energy: -1489.719
where: short stacking energy: -595.906
Base-Backbone interact. energy: 2.881
local terms energy: -620.590472
where:
bonds (distance) C4'-P energy: -121.454
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -134.747
flat angles P-C4'-P energy: -74.846
tors. eta vs tors. theta energy: -158.759
Dist. restrs. and SS energy: 11.313 (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: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1914.830788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.830788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.916809 (E_RNA)
where:
Base-Base interactions energy: -1383.377
where: short stacking energy: -563.027
Base-Backbone interact. energy: -0.207
local terms energy: -559.332267
where:
bonds (distance) C4'-P energy: -88.168
bonds (distance) P-C4' energy: -84.623
flat angles C4'-P-C4' energy: -131.527
flat angles P-C4'-P energy: -81.212
tors. eta vs tors. theta energy: -173.803
Dist. restrs. and SS energy: 28.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2775.627649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.627649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.640062 (E_RNA)
where:
Base-Base interactions energy: -1947.945
where: short stacking energy: -818.909
Base-Backbone interact. energy: -3.371
local terms energy: -828.324674
where:
bonds (distance) C4'-P energy: -147.560
bonds (distance) P-C4' energy: -155.468
flat angles C4'-P-C4' energy: -173.535
flat angles P-C4'-P energy: -111.227
tors. eta vs tors. theta energy: -240.535
Dist. restrs. and SS energy: 4.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2694.926208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.926208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.148835 (E_RNA)
where:
Base-Base interactions energy: -1891.446
where: short stacking energy: -777.233
Base-Backbone interact. energy: -1.986
local terms energy: -804.717335
where:
bonds (distance) C4'-P energy: -139.394
bonds (distance) P-C4' energy: -151.147
flat angles C4'-P-C4' energy: -170.284
flat angles P-C4'-P energy: -116.141
tors. eta vs tors. theta energy: -227.751
Dist. restrs. and SS energy: 3.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2642.397295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.397295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.759894 (E_RNA)
where:
Base-Base interactions energy: -1851.192
where: short stacking energy: -799.500
Base-Backbone interact. energy: -2.250
local terms energy: -796.316982
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -138.683
flat angles C4'-P-C4' energy: -168.055
flat angles P-C4'-P energy: -114.666
tors. eta vs tors. theta energy: -237.807
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: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2513.170543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.170543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.942710 (E_RNA)
where:
Base-Base interactions energy: -1761.226
where: short stacking energy: -725.715
Base-Backbone interact. energy: -4.880
local terms energy: -750.836802
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -127.866
flat angles C4'-P-C4' energy: -151.274
flat angles P-C4'-P energy: -101.415
tors. eta vs tors. theta energy: -226.617
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2472.516108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.516108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.351696 (E_RNA)
where:
Base-Base interactions energy: -1735.360
where: short stacking energy: -767.828
Base-Backbone interact. energy: 0.050
local terms energy: -742.041706
where:
bonds (distance) C4'-P energy: -129.682
bonds (distance) P-C4' energy: -139.288
flat angles C4'-P-C4' energy: -147.176
flat angles P-C4'-P energy: -99.184
tors. eta vs tors. theta energy: -226.711
Dist. restrs. and SS energy: 4.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2408.691778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.691778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.187688 (E_RNA)
where:
Base-Base interactions energy: -1706.463
where: short stacking energy: -741.679
Base-Backbone interact. energy: -2.900
local terms energy: -707.823983
where:
bonds (distance) C4'-P energy: -112.176
bonds (distance) P-C4' energy: -128.316
flat angles C4'-P-C4' energy: -148.915
flat angles P-C4'-P energy: -100.102
tors. eta vs tors. theta energy: -218.315
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: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2270.726562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.726562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.727608 (E_RNA)
where:
Base-Base interactions energy: -1608.516
where: short stacking energy: -683.006
Base-Backbone interact. energy: -1.991
local terms energy: -666.220190
where:
bonds (distance) C4'-P energy: -126.142
bonds (distance) P-C4' energy: -119.706
flat angles C4'-P-C4' energy: -143.950
flat angles P-C4'-P energy: -86.954
tors. eta vs tors. theta energy: -189.469
Dist. restrs. and SS energy: 6.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2238.146287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.146287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.813473 (E_RNA)
where:
Base-Base interactions energy: -1578.939
where: short stacking energy: -640.161
Base-Backbone interact. energy: 1.870
local terms energy: -666.744771
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -126.478
flat angles C4'-P-C4' energy: -135.042
flat angles P-C4'-P energy: -89.629
tors. eta vs tors. theta energy: -195.108
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: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -2078.531598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.531598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.935893 (E_RNA)
where:
Base-Base interactions energy: -1456.835
where: short stacking energy: -610.693
Base-Backbone interact. energy: -1.439
local terms energy: -631.662617
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -112.860
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -85.402
tors. eta vs tors. theta energy: -175.540
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: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1887.198001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.198001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.041337 (E_RNA)
where:
Base-Base interactions energy: -1299.363
where: short stacking energy: -522.357
Base-Backbone interact. energy: 0.973
local terms energy: -615.651224
where:
bonds (distance) C4'-P energy: -134.605
bonds (distance) P-C4' energy: -113.096
flat angles C4'-P-C4' energy: -137.213
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -157.489
Dist. restrs. and SS energy: 26.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2772.713324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.713324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.136524 (E_RNA)
where:
Base-Base interactions energy: -1944.085
where: short stacking energy: -848.892
Base-Backbone interact. energy: 3.043
local terms energy: -833.095260
where:
bonds (distance) C4'-P energy: -139.753
bonds (distance) P-C4' energy: -140.758
flat angles C4'-P-C4' energy: -176.114
flat angles P-C4'-P energy: -115.791
tors. eta vs tors. theta energy: -260.680
Dist. restrs. and SS energy: 1.423 (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: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2688.561480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.561480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.051865 (E_RNA)
where:
Base-Base interactions energy: -1899.279
where: short stacking energy: -771.030
Base-Backbone interact. energy: -1.276
local terms energy: -792.496595
where:
bonds (distance) C4'-P energy: -153.330
bonds (distance) P-C4' energy: -150.309
flat angles C4'-P-C4' energy: -156.573
flat angles P-C4'-P energy: -112.207
tors. eta vs tors. theta energy: -220.078
Dist. restrs. and SS energy: 4.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2608.713200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.713200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.092100 (E_RNA)
where:
Base-Base interactions energy: -1830.210
where: short stacking energy: -797.562
Base-Backbone interact. energy: -2.999
local terms energy: -777.883001
where:
bonds (distance) C4'-P energy: -138.068
bonds (distance) P-C4' energy: -122.053
flat angles C4'-P-C4' energy: -166.611
flat angles P-C4'-P energy: -110.199
tors. eta vs tors. theta energy: -240.951
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2523.760047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.760047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.736232 (E_RNA)
where:
Base-Base interactions energy: -1780.141
where: short stacking energy: -748.251
Base-Backbone interact. energy: -2.989
local terms energy: -747.606226
where:
bonds (distance) C4'-P energy: -120.525
bonds (distance) P-C4' energy: -136.215
flat angles C4'-P-C4' energy: -167.815
flat angles P-C4'-P energy: -101.209
tors. eta vs tors. theta energy: -221.842
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: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2501.630725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.630725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.782773 (E_RNA)
where:
Base-Base interactions energy: -1747.263
where: short stacking energy: -740.833
Base-Backbone interact. energy: -2.178
local terms energy: -759.342242
where:
bonds (distance) C4'-P energy: -131.278
bonds (distance) P-C4' energy: -142.610
flat angles C4'-P-C4' energy: -150.543
flat angles P-C4'-P energy: -110.724
tors. eta vs tors. theta energy: -224.188
Dist. restrs. and SS energy: 7.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2424.462678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.462678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.192597 (E_RNA)
where:
Base-Base interactions energy: -1682.275
where: short stacking energy: -700.057
Base-Backbone interact. energy: -2.767
local terms energy: -743.150193
where:
bonds (distance) C4'-P energy: -121.397
bonds (distance) P-C4' energy: -130.337
flat angles C4'-P-C4' energy: -161.753
flat angles P-C4'-P energy: -108.090
tors. eta vs tors. theta energy: -221.573
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: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2262.950918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.950918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.577456 (E_RNA)
where:
Base-Base interactions energy: -1583.135
where: short stacking energy: -674.823
Base-Backbone interact. energy: -4.930
local terms energy: -679.511997
where:
bonds (distance) C4'-P energy: -122.412
bonds (distance) P-C4' energy: -140.020
flat angles C4'-P-C4' energy: -134.189
flat angles P-C4'-P energy: -95.297
tors. eta vs tors. theta energy: -187.594
Dist. restrs. and SS energy: 4.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2258.194892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.194892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.777252 (E_RNA)
where:
Base-Base interactions energy: -1604.918
where: short stacking energy: -673.062
Base-Backbone interact. energy: -2.443
local terms energy: -657.415871
where:
bonds (distance) C4'-P energy: -111.424
bonds (distance) P-C4' energy: -116.701
flat angles C4'-P-C4' energy: -138.578
flat angles P-C4'-P energy: -87.873
tors. eta vs tors. theta energy: -202.840
Dist. restrs. and SS energy: 6.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -2055.889581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.889581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.895821 (E_RNA)
where:
Base-Base interactions energy: -1432.699
where: short stacking energy: -571.598
Base-Backbone interact. energy: 2.823
local terms energy: -642.020161
where:
bonds (distance) C4'-P energy: -139.156
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -136.960
flat angles P-C4'-P energy: -80.888
tors. eta vs tors. theta energy: -174.269
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: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1927.375116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.375116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.316429 (E_RNA)
where:
Base-Base interactions energy: -1373.670
where: short stacking energy: -565.928
Base-Backbone interact. energy: -3.894
local terms energy: -578.752644
where:
bonds (distance) C4'-P energy: -122.507
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -129.671
flat angles P-C4'-P energy: -73.786
tors. eta vs tors. theta energy: -167.628
Dist. restrs. and SS energy: 28.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2793.302044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.302044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.848143 (E_RNA)
where:
Base-Base interactions energy: -1966.342
where: short stacking energy: -832.825
Base-Backbone interact. energy: -1.255
local terms energy: -830.251600
where:
bonds (distance) C4'-P energy: -137.151
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -176.718
flat angles P-C4'-P energy: -124.991
tors. eta vs tors. theta energy: -254.231
Dist. restrs. and SS energy: 4.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2717.989261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.989261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.692616 (E_RNA)
where:
Base-Base interactions energy: -1891.641
where: short stacking energy: -784.627
Base-Backbone interact. energy: -2.897
local terms energy: -827.154082
where:
bonds (distance) C4'-P energy: -160.049
bonds (distance) P-C4' energy: -151.425
flat angles C4'-P-C4' energy: -169.993
flat angles P-C4'-P energy: -113.024
tors. eta vs tors. theta energy: -232.664
Dist. restrs. and SS energy: 3.703 (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: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2673.791999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.791999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.927246 (E_RNA)
where:
Base-Base interactions energy: -1853.406
where: short stacking energy: -784.549
Base-Backbone interact. energy: 0.528
local terms energy: -828.048501
where:
bonds (distance) C4'-P energy: -153.782
bonds (distance) P-C4' energy: -150.544
flat angles C4'-P-C4' energy: -176.006
flat angles P-C4'-P energy: -99.575
tors. eta vs tors. theta energy: -248.140
Dist. restrs. and SS energy: 7.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2527.274329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.274329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.989169 (E_RNA)
where:
Base-Base interactions energy: -1782.800
where: short stacking energy: -756.282
Base-Backbone interact. energy: 4.236
local terms energy: -754.425434
where:
bonds (distance) C4'-P energy: -138.883
bonds (distance) P-C4' energy: -133.835
flat angles C4'-P-C4' energy: -163.137
flat angles P-C4'-P energy: -95.699
tors. eta vs tors. theta energy: -222.872
Dist. restrs. and SS energy: 5.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2435.243374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.243374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.875189 (E_RNA)
where:
Base-Base interactions energy: -1685.112
where: short stacking energy: -709.747
Base-Backbone interact. energy: -3.509
local terms energy: -754.253475
where:
bonds (distance) C4'-P energy: -126.620
bonds (distance) P-C4' energy: -143.668
flat angles C4'-P-C4' energy: -161.038
flat angles P-C4'-P energy: -105.661
tors. eta vs tors. theta energy: -217.267
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2317.138627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.138627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.507547 (E_RNA)
where:
Base-Base interactions energy: -1618.526
where: short stacking energy: -673.045
Base-Backbone interact. energy: -1.560
local terms energy: -703.421016
where:
bonds (distance) C4'-P energy: -120.872
bonds (distance) P-C4' energy: -130.111
flat angles C4'-P-C4' energy: -166.731
flat angles P-C4'-P energy: -95.139
tors. eta vs tors. theta energy: -190.568
Dist. restrs. and SS energy: 6.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2396.234394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.234394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.423781 (E_RNA)
where:
Base-Base interactions energy: -1671.511
where: short stacking energy: -738.826
Base-Backbone interact. energy: -0.742
local terms energy: -732.170720
where:
bonds (distance) C4'-P energy: -116.171
bonds (distance) P-C4' energy: -113.086
flat angles C4'-P-C4' energy: -166.098
flat angles P-C4'-P energy: -116.117
tors. eta vs tors. theta energy: -220.699
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: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2212.718038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.718038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.154609 (E_RNA)
where:
Base-Base interactions energy: -1557.085
where: short stacking energy: -661.514
Base-Backbone interact. energy: -0.019
local terms energy: -662.050829
where:
bonds (distance) C4'-P energy: -138.612
bonds (distance) P-C4' energy: -90.171
flat angles C4'-P-C4' energy: -148.940
flat angles P-C4'-P energy: -86.936
tors. eta vs tors. theta energy: -197.392
Dist. restrs. and SS energy: 6.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -2093.228628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.228628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.376308 (E_RNA)
where:
Base-Base interactions energy: -1485.106
where: short stacking energy: -613.390
Base-Backbone interact. energy: -2.124
local terms energy: -612.146792
where:
bonds (distance) C4'-P energy: -111.974
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -133.296
flat angles P-C4'-P energy: -87.495
tors. eta vs tors. theta energy: -166.410
Dist. restrs. and SS energy: 6.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1873.092178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.563637 (E_RNA)
where:
Base-Base interactions energy: -1320.990
where: short stacking energy: -565.738
Base-Backbone interact. energy: -2.637
local terms energy: -580.937000
where:
bonds (distance) C4'-P energy: -109.661
bonds (distance) P-C4' energy: -116.778
flat angles C4'-P-C4' energy: -115.312
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -159.017
Dist. restrs. and SS energy: 31.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2784.181164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.082397 (E_RNA)
where:
Base-Base interactions energy: -1946.560
where: short stacking energy: -828.811
Base-Backbone interact. energy: -3.502
local terms energy: -836.020414
where:
bonds (distance) C4'-P energy: -141.507
bonds (distance) P-C4' energy: -157.041
flat angles C4'-P-C4' energy: -166.268
flat angles P-C4'-P energy: -118.933
tors. eta vs tors. theta energy: -252.272
Dist. restrs. and SS energy: 1.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2734.650218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.650218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.078582 (E_RNA)
where:
Base-Base interactions energy: -1939.730
where: short stacking energy: -807.169
Base-Backbone interact. energy: -2.038
local terms energy: -795.310308
where:
bonds (distance) C4'-P energy: -123.578
bonds (distance) P-C4' energy: -136.401
flat angles C4'-P-C4' energy: -167.751
flat angles P-C4'-P energy: -133.901
tors. eta vs tors. theta energy: -233.680
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2652.669564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.669564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.348641 (E_RNA)
where:
Base-Base interactions energy: -1869.896
where: short stacking energy: -799.236
Base-Backbone interact. energy: -5.075
local terms energy: -784.377206
where:
bonds (distance) C4'-P energy: -135.562
bonds (distance) P-C4' energy: -136.658
flat angles C4'-P-C4' energy: -163.881
flat angles P-C4'-P energy: -110.033
tors. eta vs tors. theta energy: -238.243
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: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2515.955366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.955366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.100777 (E_RNA)
where:
Base-Base interactions energy: -1777.826
where: short stacking energy: -716.991
Base-Backbone interact. energy: -4.018
local terms energy: -739.257135
where:
bonds (distance) C4'-P energy: -134.223
bonds (distance) P-C4' energy: -137.611
flat angles C4'-P-C4' energy: -160.582
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -225.098
Dist. restrs. and SS energy: 5.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2418.722705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.722705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.070563 (E_RNA)
where:
Base-Base interactions energy: -1700.426
where: short stacking energy: -726.771
Base-Backbone interact. energy: -1.636
local terms energy: -725.009200
where:
bonds (distance) C4'-P energy: -117.236
bonds (distance) P-C4' energy: -131.094
flat angles C4'-P-C4' energy: -162.137
flat angles P-C4'-P energy: -97.407
tors. eta vs tors. theta energy: -217.135
Dist. restrs. and SS energy: 8.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2353.775670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.775670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.857307 (E_RNA)
where:
Base-Base interactions energy: -1658.715
where: short stacking energy: -704.820
Base-Backbone interact. energy: -0.596
local terms energy: -698.546840
where:
bonds (distance) C4'-P energy: -131.642
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -147.151
flat angles P-C4'-P energy: -105.867
tors. eta vs tors. theta energy: -208.883
Dist. restrs. and SS energy: 4.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2359.876066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.876066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.535732 (E_RNA)
where:
Base-Base interactions energy: -1641.428
where: short stacking energy: -685.630
Base-Backbone interact. energy: -5.071
local terms energy: -717.036779
where:
bonds (distance) C4'-P energy: -120.993
bonds (distance) P-C4' energy: -130.392
flat angles C4'-P-C4' energy: -151.593
flat angles P-C4'-P energy: -105.403
tors. eta vs tors. theta energy: -208.655
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2197.112586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.112586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.397389 (E_RNA)
where:
Base-Base interactions energy: -1552.079
where: short stacking energy: -634.235
Base-Backbone interact. energy: -0.591
local terms energy: -654.727219
where:
bonds (distance) C4'-P energy: -122.558
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -141.529
flat angles P-C4'-P energy: -87.858
tors. eta vs tors. theta energy: -180.566
Dist. restrs. and SS energy: 10.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -2096.654180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.654180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.973627 (E_RNA)
where:
Base-Base interactions energy: -1484.023
where: short stacking energy: -649.068
Base-Backbone interact. energy: 1.911
local terms energy: -623.861165
where:
bonds (distance) C4'-P energy: -111.345
bonds (distance) P-C4' energy: -115.212
flat angles C4'-P-C4' energy: -140.749
flat angles P-C4'-P energy: -82.069
tors. eta vs tors. theta energy: -174.486
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: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1944.753464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.753464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.930179 (E_RNA)
where:
Base-Base interactions energy: -1380.434
where: short stacking energy: -569.198
Base-Backbone interact. energy: -4.068
local terms energy: -585.428445
where:
bonds (distance) C4'-P energy: -115.984
bonds (distance) P-C4' energy: -118.156
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -82.271
tors. eta vs tors. theta energy: -138.985
Dist. restrs. and SS energy: 25.177 (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: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2762.257431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.257431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.827979 (E_RNA)
where:
Base-Base interactions energy: -1915.217
where: short stacking energy: -809.742
Base-Backbone interact. energy: -0.562
local terms energy: -851.048817
where:
bonds (distance) C4'-P energy: -148.784
bonds (distance) P-C4' energy: -148.703
flat angles C4'-P-C4' energy: -175.624
flat angles P-C4'-P energy: -121.837
tors. eta vs tors. theta energy: -256.099
Dist. restrs. and SS energy: 4.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2709.065925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.065925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.645866 (E_RNA)
where:
Base-Base interactions energy: -1909.652
where: short stacking energy: -779.303
Base-Backbone interact. energy: -4.948
local terms energy: -798.046330
where:
bonds (distance) C4'-P energy: -134.645
bonds (distance) P-C4' energy: -141.962
flat angles C4'-P-C4' energy: -173.319
flat angles P-C4'-P energy: -119.749
tors. eta vs tors. theta energy: -228.371
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2640.729078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.729078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.568413 (E_RNA)
where:
Base-Base interactions energy: -1893.020
where: short stacking energy: -788.900
Base-Backbone interact. energy: -4.086
local terms energy: -750.462890
where:
bonds (distance) C4'-P energy: -121.784
bonds (distance) P-C4' energy: -133.372
flat angles C4'-P-C4' energy: -159.338
flat angles P-C4'-P energy: -99.416
tors. eta vs tors. theta energy: -236.552
Dist. restrs. and SS energy: 6.839 (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: 477
Temperature: 1.050000
Total energy: -2524.770026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.770026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.032046 (E_RNA)
where:
Base-Base interactions energy: -1791.868
where: short stacking energy: -757.514
Base-Backbone interact. energy: -0.830
local terms energy: -736.333622
where:
bonds (distance) C4'-P energy: -114.381
bonds (distance) P-C4' energy: -146.578
flat angles C4'-P-C4' energy: -159.716
flat angles P-C4'-P energy: -98.177
tors. eta vs tors. theta energy: -217.482
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. 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: -2407.706165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.706165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.971399 (E_RNA)
where:
Base-Base interactions energy: -1697.964
where: short stacking energy: -708.487
Base-Backbone interact. energy: 0.877
local terms energy: -715.884346
where:
bonds (distance) C4'-P energy: -128.767
bonds (distance) P-C4' energy: -147.033
flat angles C4'-P-C4' energy: -140.684
flat angles P-C4'-P energy: -100.363
tors. eta vs tors. theta energy: -199.038
Dist. restrs. and SS energy: 5.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2355.918565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.918565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.653908 (E_RNA)
where:
Base-Base interactions energy: -1626.251
where: short stacking energy: -701.742
Base-Backbone interact. energy: -2.262
local terms energy: -733.140653
where:
bonds (distance) C4'-P energy: -123.131
bonds (distance) P-C4' energy: -139.479
flat angles C4'-P-C4' energy: -161.219
flat angles P-C4'-P energy: -104.452
tors. eta vs tors. theta energy: -204.859
Dist. restrs. and SS energy: 5.735 (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: 477
Temperature: 1.200000
Total energy: -2355.227253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.227253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.829820 (E_RNA)
where:
Base-Base interactions energy: -1647.232
where: short stacking energy: -684.323
Base-Backbone interact. energy: 7.429
local terms energy: -719.025974
where:
bonds (distance) C4'-P energy: -111.886
bonds (distance) P-C4' energy: -139.668
flat angles C4'-P-C4' energy: -144.162
flat angles P-C4'-P energy: -101.277
tors. eta vs tors. theta energy: -222.033
Dist. restrs. and SS energy: 3.603 (S_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: 477
Temperature: 1.250000
Total energy: -2133.632274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.632274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.361055 (E_RNA)
where:
Base-Base interactions energy: -1518.589
where: short stacking energy: -618.894
Base-Backbone interact. energy: 3.015
local terms energy: -626.786861
where:
bonds (distance) C4'-P energy: -129.169
bonds (distance) P-C4' energy: -97.766
flat angles C4'-P-C4' energy: -145.723
flat angles P-C4'-P energy: -88.575
tors. eta vs tors. theta energy: -165.553
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: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -2066.745023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.745023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.851762 (E_RNA)
where:
Base-Base interactions energy: -1452.611
where: short stacking energy: -594.648
Base-Backbone interact. energy: 0.190
local terms energy: -632.430451
where:
bonds (distance) C4'-P energy: -109.726
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -131.129
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: -181.698
Dist. restrs. and SS energy: 18.107 (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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1861.900675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.900675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.585244 (E_RNA)
where:
Base-Base interactions energy: -1337.083
where: short stacking energy: -553.198
Base-Backbone interact. energy: 1.214
local terms energy: -555.716691
where:
bonds (distance) C4'-P energy: -120.932
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -117.195
flat angles P-C4'-P energy: -77.379
tors. eta vs tors. theta energy: -138.152
Dist. restrs. and SS energy: 29.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2779.424376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.424376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.271592 (E_RNA)
where:
Base-Base interactions energy: -1950.353
where: short stacking energy: -817.251
Base-Backbone interact. energy: -2.617
local terms energy: -829.301395
where:
bonds (distance) C4'-P energy: -139.018
bonds (distance) P-C4' energy: -158.118
flat angles C4'-P-C4' energy: -167.426
flat angles P-C4'-P energy: -122.974
tors. eta vs tors. theta energy: -241.766
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2699.220562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.220562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.186998 (E_RNA)
where:
Base-Base interactions energy: -1908.938
where: short stacking energy: -778.831
Base-Backbone interact. energy: -2.305
local terms energy: -790.943772
where:
bonds (distance) C4'-P energy: -135.156
bonds (distance) P-C4' energy: -131.192
flat angles C4'-P-C4' energy: -174.163
flat angles P-C4'-P energy: -131.433
tors. eta vs tors. theta energy: -219.001
Dist. restrs. and SS energy: 2.966 (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: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2662.225505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.225505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.613084 (E_RNA)
where:
Base-Base interactions energy: -1859.314
where: short stacking energy: -807.750
Base-Backbone interact. energy: -3.176
local terms energy: -805.122901
where:
bonds (distance) C4'-P energy: -133.776
bonds (distance) P-C4' energy: -140.869
flat angles C4'-P-C4' energy: -170.300
flat angles P-C4'-P energy: -119.022
tors. eta vs tors. theta energy: -241.156
Dist. restrs. and SS energy: 5.388 (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: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2562.781152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.781152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.514652 (E_RNA)
where:
Base-Base interactions energy: -1821.232
where: short stacking energy: -757.987
Base-Backbone interact. energy: 1.005
local terms energy: -747.286839
where:
bonds (distance) C4'-P energy: -108.415
bonds (distance) P-C4' energy: -130.390
flat angles C4'-P-C4' energy: -159.450
flat angles P-C4'-P energy: -120.762
tors. eta vs tors. theta energy: -228.270
Dist. restrs. and SS energy: 4.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2440.493405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.493405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.845283 (E_RNA)
where:
Base-Base interactions energy: -1713.944
where: short stacking energy: -711.198
Base-Backbone interact. energy: -0.967
local terms energy: -732.933653
where:
bonds (distance) C4'-P energy: -137.875
bonds (distance) P-C4' energy: -127.687
flat angles C4'-P-C4' energy: -151.723
flat angles P-C4'-P energy: -96.162
tors. eta vs tors. theta energy: -219.487
Dist. restrs. and SS energy: 7.352 (S_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: 478
Temperature: 1.150000
Total energy: -2357.546143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.546143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.379811 (E_RNA)
where:
Base-Base interactions energy: -1662.300
where: short stacking energy: -701.219
Base-Backbone interact. energy: -1.663
local terms energy: -703.416613
where:
bonds (distance) C4'-P energy: -144.868
bonds (distance) P-C4' energy: -124.024
flat angles C4'-P-C4' energy: -148.918
flat angles P-C4'-P energy: -83.469
tors. eta vs tors. theta energy: -202.137
Dist. restrs. and SS energy: 9.834 (S_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: 478
Temperature: 1.200000
Total energy: -2345.165906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.165906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.144620 (E_RNA)
where:
Base-Base interactions energy: -1676.783
where: short stacking energy: -703.590
Base-Backbone interact. energy: 5.050
local terms energy: -677.412319
where:
bonds (distance) C4'-P energy: -124.142
bonds (distance) P-C4' energy: -121.365
flat angles C4'-P-C4' energy: -138.265
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -206.365
Dist. restrs. and SS energy: 3.979 (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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2174.249939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.249939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.258326 (E_RNA)
where:
Base-Base interactions energy: -1587.858
where: short stacking energy: -647.227
Base-Backbone interact. energy: -1.216
local terms energy: -594.184734
where:
bonds (distance) C4'-P energy: -104.895
bonds (distance) P-C4' energy: -102.976
flat angles C4'-P-C4' energy: -141.973
flat angles P-C4'-P energy: -68.361
tors. eta vs tors. theta energy: -175.979
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -2096.673022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.673022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.889647 (E_RNA)
where:
Base-Base interactions energy: -1492.608
where: short stacking energy: -625.606
Base-Backbone interact. energy: -1.091
local terms energy: -615.190533
where:
bonds (distance) C4'-P energy: -111.107
bonds (distance) P-C4' energy: -109.349
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -73.446
tors. eta vs tors. theta energy: -191.704
Dist. restrs. and SS energy: 12.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1931.496680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.496680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.217435 (E_RNA)
where:
Base-Base interactions energy: -1366.939
where: short stacking energy: -544.379
Base-Backbone interact. energy: 5.777
local terms energy: -599.055929
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -109.007
flat angles C4'-P-C4' energy: -132.642
flat angles P-C4'-P energy: -89.704
tors. eta vs tors. theta energy: -157.794
Dist. restrs. and SS energy: 28.721 (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: 479
Temperature: 0.900000
Total energy: -2795.446946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.446946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.666743 (E_RNA)
where:
Base-Base interactions energy: -1964.649
where: short stacking energy: -828.756
Base-Backbone interact. energy: -1.194
local terms energy: -831.823639
where:
bonds (distance) C4'-P energy: -142.801
bonds (distance) P-C4' energy: -150.201
flat angles C4'-P-C4' energy: -163.434
flat angles P-C4'-P energy: -122.166
tors. eta vs tors. theta energy: -253.220
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2721.645601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.645601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.283078 (E_RNA)
where:
Base-Base interactions energy: -1912.825
where: short stacking energy: -790.674
Base-Backbone interact. energy: 8.167
local terms energy: -819.625078
where:
bonds (distance) C4'-P energy: -157.724
bonds (distance) P-C4' energy: -140.914
flat angles C4'-P-C4' energy: -170.045
flat angles P-C4'-P energy: -120.791
tors. eta vs tors. theta energy: -230.151
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: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2642.067550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.067550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.756490 (E_RNA)
where:
Base-Base interactions energy: -1850.853
where: short stacking energy: -788.908
Base-Backbone interact. energy: -1.877
local terms energy: -798.026192
where:
bonds (distance) C4'-P energy: -127.579
bonds (distance) P-C4' energy: -135.382
flat angles C4'-P-C4' energy: -164.416
flat angles P-C4'-P energy: -125.342
tors. eta vs tors. theta energy: -245.308
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: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2523.782289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.782289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.909956 (E_RNA)
where:
Base-Base interactions energy: -1809.407
where: short stacking energy: -742.065
Base-Backbone interact. energy: 5.863
local terms energy: -723.365300
where:
bonds (distance) C4'-P energy: -119.156
bonds (distance) P-C4' energy: -138.179
flat angles C4'-P-C4' energy: -145.636
flat angles P-C4'-P energy: -94.687
tors. eta vs tors. theta energy: -225.707
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2410.229257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.229257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.180203 (E_RNA)
where:
Base-Base interactions energy: -1737.934
where: short stacking energy: -714.275
Base-Backbone interact. energy: -2.458
local terms energy: -677.787414
where:
bonds (distance) C4'-P energy: -121.809
bonds (distance) P-C4' energy: -122.431
flat angles C4'-P-C4' energy: -152.077
flat angles P-C4'-P energy: -84.975
tors. eta vs tors. theta energy: -196.496
Dist. restrs. and SS energy: 7.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2334.683925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.683925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.024098 (E_RNA)
where:
Base-Base interactions energy: -1649.406
where: short stacking energy: -695.525
Base-Backbone interact. energy: -2.727
local terms energy: -687.890956
where:
bonds (distance) C4'-P energy: -106.754
bonds (distance) P-C4' energy: -123.808
flat angles C4'-P-C4' energy: -151.921
flat angles P-C4'-P energy: -99.911
tors. eta vs tors. theta energy: -205.497
Dist. restrs. and SS energy: 5.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2314.096228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.096228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.197628 (E_RNA)
where:
Base-Base interactions energy: -1620.115
where: short stacking energy: -671.259
Base-Backbone interact. energy: -1.845
local terms energy: -699.237574
where:
bonds (distance) C4'-P energy: -123.928
bonds (distance) P-C4' energy: -126.846
flat angles C4'-P-C4' energy: -151.458
flat angles P-C4'-P energy: -91.725
tors. eta vs tors. theta energy: -205.281
Dist. restrs. and SS energy: 7.101 (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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2170.718039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.718039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.634450 (E_RNA)
where:
Base-Base interactions energy: -1550.627
where: short stacking energy: -633.608
Base-Backbone interact. energy: 3.135
local terms energy: -635.142526
where:
bonds (distance) C4'-P energy: -118.223
bonds (distance) P-C4' energy: -120.131
flat angles C4'-P-C4' energy: -139.959
flat angles P-C4'-P energy: -80.579
tors. eta vs tors. theta energy: -176.250
Dist. restrs. and SS energy: 11.916 (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: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -2112.360401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.360401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.742937 (E_RNA)
where:
Base-Base interactions energy: -1496.360
where: short stacking energy: -626.289
Base-Backbone interact. energy: 2.153
local terms energy: -634.535490
where:
bonds (distance) C4'-P energy: -105.378
bonds (distance) P-C4' energy: -132.460
flat angles C4'-P-C4' energy: -139.417
flat angles P-C4'-P energy: -82.030
tors. eta vs tors. theta energy: -175.250
Dist. restrs. and SS energy: 16.383 (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: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1887.950550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.950550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.941055 (E_RNA)
where:
Base-Base interactions energy: -1347.614
where: short stacking energy: -538.159
Base-Backbone interact. energy: 0.704
local terms energy: -560.031048
where:
bonds (distance) C4'-P energy: -109.838
bonds (distance) P-C4' energy: -118.609
flat angles C4'-P-C4' energy: -114.872
flat angles P-C4'-P energy: -69.092
tors. eta vs tors. theta energy: -147.620
Dist. restrs. and SS energy: 18.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2774.413833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.413833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.768780 (E_RNA)
where:
Base-Base interactions energy: -1957.637
where: short stacking energy: -833.930
Base-Backbone interact. energy: 0.136
local terms energy: -819.267537
where:
bonds (distance) C4'-P energy: -146.833
bonds (distance) P-C4' energy: -132.441
flat angles C4'-P-C4' energy: -163.042
flat angles P-C4'-P energy: -117.002
tors. eta vs tors. theta energy: -259.950
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2721.042386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.042386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.995677 (E_RNA)
where:
Base-Base interactions energy: -1931.432
where: short stacking energy: -786.372
Base-Backbone interact. energy: -7.079
local terms energy: -785.484127
where:
bonds (distance) C4'-P energy: -142.853
bonds (distance) P-C4' energy: -139.785
flat angles C4'-P-C4' energy: -167.828
flat angles P-C4'-P energy: -109.921
tors. eta vs tors. theta energy: -225.097
Dist. restrs. and SS energy: 2.953 (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: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2642.792172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.792172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.844874 (E_RNA)
where:
Base-Base interactions energy: -1851.545
where: short stacking energy: -772.437
Base-Backbone interact. energy: -3.058
local terms energy: -791.241932
where:
bonds (distance) C4'-P energy: -138.002
bonds (distance) P-C4' energy: -147.506
flat angles C4'-P-C4' energy: -158.031
flat angles P-C4'-P energy: -107.886
tors. eta vs tors. theta energy: -239.818
Dist. restrs. and SS energy: 3.053 (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: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2537.640102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.640102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.231504 (E_RNA)
where:
Base-Base interactions energy: -1815.032
where: short stacking energy: -765.975
Base-Backbone interact. energy: -3.117
local terms energy: -723.082311
where:
bonds (distance) C4'-P energy: -107.019
bonds (distance) P-C4' energy: -117.991
flat angles C4'-P-C4' energy: -155.464
flat angles P-C4'-P energy: -114.880
tors. eta vs tors. theta energy: -227.730
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: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2387.919546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.919546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.087900 (E_RNA)
where:
Base-Base interactions energy: -1662.750
where: short stacking energy: -690.575
Base-Backbone interact. energy: 0.719
local terms energy: -731.057011
where:
bonds (distance) C4'-P energy: -126.593
bonds (distance) P-C4' energy: -138.105
flat angles C4'-P-C4' energy: -155.893
flat angles P-C4'-P energy: -108.402
tors. eta vs tors. theta energy: -202.063
Dist. restrs. and SS energy: 5.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2387.393733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.393733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.923248 (E_RNA)
where:
Base-Base interactions energy: -1669.460
where: short stacking energy: -723.319
Base-Backbone interact. energy: -4.166
local terms energy: -724.297722
where:
bonds (distance) C4'-P energy: -132.927
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -157.600
flat angles P-C4'-P energy: -100.844
tors. eta vs tors. theta energy: -217.952
Dist. restrs. and SS energy: 10.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2351.473134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.473134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.611783 (E_RNA)
where:
Base-Base interactions energy: -1650.268
where: short stacking energy: -703.948
Base-Backbone interact. energy: -0.000
local terms energy: -710.343550
where:
bonds (distance) C4'-P energy: -107.591
bonds (distance) P-C4' energy: -126.920
flat angles C4'-P-C4' energy: -158.824
flat angles P-C4'-P energy: -97.656
tors. eta vs tors. theta energy: -219.353
Dist. restrs. and SS energy: 9.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2173.882759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.882759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.450631 (E_RNA)
where:
Base-Base interactions energy: -1543.677
where: short stacking energy: -630.045
Base-Backbone interact. energy: -0.760
local terms energy: -637.013456
where:
bonds (distance) C4'-P energy: -106.241
bonds (distance) P-C4' energy: -125.338
flat angles C4'-P-C4' energy: -145.736
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: -170.547
Dist. restrs. and SS energy: 7.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -2152.919059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.919059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.236562 (E_RNA)
where:
Base-Base interactions energy: -1539.377
where: short stacking energy: -664.600
Base-Backbone interact. energy: -0.490
local terms energy: -621.369140
where:
bonds (distance) C4'-P energy: -108.971
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -132.666
flat angles P-C4'-P energy: -88.315
tors. eta vs tors. theta energy: -188.174
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: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1813.599807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.599807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.793330 (E_RNA)
where:
Base-Base interactions energy: -1289.084
where: short stacking energy: -525.288
Base-Backbone interact. energy: -4.950
local terms energy: -548.759556
where:
bonds (distance) C4'-P energy: -97.793
bonds (distance) P-C4' energy: -113.761
flat angles C4'-P-C4' energy: -129.601
flat angles P-C4'-P energy: -72.386
tors. eta vs tors. theta energy: -135.218
Dist. restrs. and SS energy: 29.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2801.969846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.969846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.442815 (E_RNA)
where:
Base-Base interactions energy: -1960.199
where: short stacking energy: -823.230
Base-Backbone interact. energy: -4.005
local terms energy: -841.238354
where:
bonds (distance) C4'-P energy: -149.867
bonds (distance) P-C4' energy: -137.237
flat angles C4'-P-C4' energy: -171.628
flat angles P-C4'-P energy: -131.276
tors. eta vs tors. theta energy: -251.230
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2728.128836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.128836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.481372 (E_RNA)
where:
Base-Base interactions energy: -1929.292
where: short stacking energy: -797.722
Base-Backbone interact. energy: -4.012
local terms energy: -798.177550
where:
bonds (distance) C4'-P energy: -140.866
bonds (distance) P-C4' energy: -153.856
flat angles C4'-P-C4' energy: -161.436
flat angles P-C4'-P energy: -113.439
tors. eta vs tors. theta energy: -228.581
Dist. restrs. and SS energy: 3.353 (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: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2633.091332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.091332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.070352 (E_RNA)
where:
Base-Base interactions energy: -1852.857
where: short stacking energy: -771.193
Base-Backbone interact. energy: -5.298
local terms energy: -779.915810
where:
bonds (distance) C4'-P energy: -138.779
bonds (distance) P-C4' energy: -139.350
flat angles C4'-P-C4' energy: -169.755
flat angles P-C4'-P energy: -101.844
tors. eta vs tors. theta energy: -230.187
Dist. restrs. and SS energy: 4.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2541.460985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.460985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.668871 (E_RNA)
where:
Base-Base interactions energy: -1794.094
where: short stacking energy: -750.301
Base-Backbone interact. energy: -4.710
local terms energy: -747.865228
where:
bonds (distance) C4'-P energy: -134.782
bonds (distance) P-C4' energy: -151.842
flat angles C4'-P-C4' energy: -146.491
flat angles P-C4'-P energy: -102.893
tors. eta vs tors. theta energy: -211.857
Dist. restrs. and SS energy: 5.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2399.517346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.517346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.142136 (E_RNA)
where:
Base-Base interactions energy: -1649.595
where: short stacking energy: -701.571
Base-Backbone interact. energy: 1.093
local terms energy: -755.639812
where:
bonds (distance) C4'-P energy: -145.612
bonds (distance) P-C4' energy: -140.681
flat angles C4'-P-C4' energy: -148.656
flat angles P-C4'-P energy: -118.350
tors. eta vs tors. theta energy: -202.341
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2407.867767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.867767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.350567 (E_RNA)
where:
Base-Base interactions energy: -1689.455
where: short stacking energy: -710.620
Base-Backbone interact. energy: 1.180
local terms energy: -725.075752
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -131.122
flat angles C4'-P-C4' energy: -162.980
flat angles P-C4'-P energy: -115.396
tors. eta vs tors. theta energy: -203.368
Dist. restrs. and SS energy: 5.483 (S_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: 481
Temperature: 1.200000
Total energy: -2286.369868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.369868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.147698 (E_RNA)
where:
Base-Base interactions energy: -1604.375
where: short stacking energy: -668.666
Base-Backbone interact. energy: 2.666
local terms energy: -688.439078
where:
bonds (distance) C4'-P energy: -115.603
bonds (distance) P-C4' energy: -119.844
flat angles C4'-P-C4' energy: -146.946
flat angles P-C4'-P energy: -111.818
tors. eta vs tors. theta energy: -194.228
Dist. restrs. and SS energy: 3.778 (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: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2211.663053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.663053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.216176 (E_RNA)
where:
Base-Base interactions energy: -1533.364
where: short stacking energy: -659.936
Base-Backbone interact. energy: -0.718
local terms energy: -689.134516
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -128.263
flat angles C4'-P-C4' energy: -157.762
flat angles P-C4'-P energy: -86.289
tors. eta vs tors. theta energy: -196.658
Dist. restrs. and SS energy: 11.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -2103.346818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.346818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.845756 (E_RNA)
where:
Base-Base interactions energy: -1493.617
where: short stacking energy: -599.775
Base-Backbone interact. energy: -1.777
local terms energy: -617.451424
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -130.272
flat angles C4'-P-C4' energy: -128.191
flat angles P-C4'-P energy: -75.484
tors. eta vs tors. theta energy: -162.131
Dist. restrs. and SS energy: 9.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1952.773439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.773439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.756628 (E_RNA)
where:
Base-Base interactions energy: -1389.815
where: short stacking energy: -566.306
Base-Backbone interact. energy: -2.647
local terms energy: -588.294740
where:
bonds (distance) C4'-P energy: -93.700
bonds (distance) P-C4' energy: -116.321
flat angles C4'-P-C4' energy: -129.946
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -171.509
Dist. restrs. and SS energy: 27.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2746.853012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.853012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.166670 (E_RNA)
where:
Base-Base interactions energy: -1927.675
where: short stacking energy: -779.095
Base-Backbone interact. energy: -6.349
local terms energy: -817.142324
where:
bonds (distance) C4'-P energy: -147.886
bonds (distance) P-C4' energy: -137.010
flat angles C4'-P-C4' energy: -169.953
flat angles P-C4'-P energy: -123.633
tors. eta vs tors. theta energy: -238.661
Dist. restrs. and SS energy: 4.314 (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: 482
Temperature: 0.950000
Total energy: -2773.548643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.548643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.538714 (E_RNA)
where:
Base-Base interactions energy: -1941.757
where: short stacking energy: -832.522
Base-Backbone interact. energy: -1.059
local terms energy: -833.723153
where:
bonds (distance) C4'-P energy: -138.243
bonds (distance) P-C4' energy: -168.313
flat angles C4'-P-C4' energy: -169.700
flat angles P-C4'-P energy: -106.401
tors. eta vs tors. theta energy: -251.066
Dist. restrs. and SS energy: 2.990 (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: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2646.137786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.137786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.573909 (E_RNA)
where:
Base-Base interactions energy: -1855.519
where: short stacking energy: -777.426
Base-Backbone interact. energy: -4.863
local terms energy: -789.191979
where:
bonds (distance) C4'-P energy: -133.562
bonds (distance) P-C4' energy: -147.057
flat angles C4'-P-C4' energy: -168.044
flat angles P-C4'-P energy: -104.686
tors. eta vs tors. theta energy: -235.842
Dist. restrs. and SS energy: 3.436 (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: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2562.565967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.565967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.819721 (E_RNA)
where:
Base-Base interactions energy: -1813.523
where: short stacking energy: -776.108
Base-Backbone interact. energy: -6.096
local terms energy: -747.200759
where:
bonds (distance) C4'-P energy: -128.981
bonds (distance) P-C4' energy: -126.000
flat angles C4'-P-C4' energy: -160.973
flat angles P-C4'-P energy: -97.607
tors. eta vs tors. theta energy: -233.639
Dist. restrs. and SS energy: 4.254 (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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2382.301057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.301057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.510548 (E_RNA)
where:
Base-Base interactions energy: -1663.590
where: short stacking energy: -714.452
Base-Backbone interact. energy: -2.768
local terms energy: -723.152022
where:
bonds (distance) C4'-P energy: -127.126
bonds (distance) P-C4' energy: -129.510
flat angles C4'-P-C4' energy: -160.150
flat angles P-C4'-P energy: -98.298
tors. eta vs tors. theta energy: -208.068
Dist. restrs. and SS energy: 7.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2336.113489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.113489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.932108 (E_RNA)
where:
Base-Base interactions energy: -1666.369
where: short stacking energy: -689.061
Base-Backbone interact. energy: 2.510
local terms energy: -680.073036
where:
bonds (distance) C4'-P energy: -118.640
bonds (distance) P-C4' energy: -140.159
flat angles C4'-P-C4' energy: -134.989
flat angles P-C4'-P energy: -81.274
tors. eta vs tors. theta energy: -205.011
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2246.231749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.231749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.913042 (E_RNA)
where:
Base-Base interactions energy: -1592.428
where: short stacking energy: -673.302
Base-Backbone interact. energy: 0.461
local terms energy: -661.946273
where:
bonds (distance) C4'-P energy: -114.496
bonds (distance) P-C4' energy: -111.112
flat angles C4'-P-C4' energy: -150.054
flat angles P-C4'-P energy: -93.543
tors. eta vs tors. theta energy: -192.743
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: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2279.870895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.870895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.782234 (E_RNA)
where:
Base-Base interactions energy: -1633.946
where: short stacking energy: -666.405
Base-Backbone interact. energy: 0.491
local terms energy: -652.327433
where:
bonds (distance) C4'-P energy: -101.317
bonds (distance) P-C4' energy: -118.837
flat angles C4'-P-C4' energy: -147.935
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -195.637
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -2127.011954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.910361 (E_RNA)
where:
Base-Base interactions energy: -1525.280
where: short stacking energy: -643.813
Base-Backbone interact. energy: -2.462
local terms energy: -610.168808
where:
bonds (distance) C4'-P energy: -92.526
bonds (distance) P-C4' energy: -112.210
flat angles C4'-P-C4' energy: -144.454
flat angles P-C4'-P energy: -84.855
tors. eta vs tors. theta energy: -176.124
Dist. restrs. and SS energy: 10.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1903.736076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.736076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.172818 (E_RNA)
where:
Base-Base interactions energy: -1362.561
where: short stacking energy: -553.562
Base-Backbone interact. energy: -1.976
local terms energy: -564.635294
where:
bonds (distance) C4'-P energy: -100.566
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -129.861
flat angles P-C4'-P energy: -73.768
tors. eta vs tors. theta energy: -153.025
Dist. restrs. and SS energy: 25.437 (S_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: 483
Temperature: 0.900000
Total energy: -2733.048256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.048256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.160592 (E_RNA)
where:
Base-Base interactions energy: -1925.670
where: short stacking energy: -775.461
Base-Backbone interact. energy: -7.018
local terms energy: -803.473035
where:
bonds (distance) C4'-P energy: -150.597
bonds (distance) P-C4' energy: -145.954
flat angles C4'-P-C4' energy: -168.203
flat angles P-C4'-P energy: -108.803
tors. eta vs tors. theta energy: -229.914
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2771.238375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.238375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.678627 (E_RNA)
where:
Base-Base interactions energy: -1949.625
where: short stacking energy: -830.642
Base-Backbone interact. energy: -0.940
local terms energy: -824.113600
where:
bonds (distance) C4'-P energy: -142.242
bonds (distance) P-C4' energy: -145.549
flat angles C4'-P-C4' energy: -167.300
flat angles P-C4'-P energy: -117.853
tors. eta vs tors. theta energy: -251.169
Dist. restrs. and SS energy: 3.440 (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: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2645.380756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.380756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.726296 (E_RNA)
where:
Base-Base interactions energy: -1862.322
where: short stacking energy: -780.647
Base-Backbone interact. energy: -2.092
local terms energy: -783.312694
where:
bonds (distance) C4'-P energy: -129.150
bonds (distance) P-C4' energy: -144.097
flat angles C4'-P-C4' energy: -165.310
flat angles P-C4'-P energy: -108.697
tors. eta vs tors. theta energy: -236.059
Dist. restrs. and SS energy: 2.346 (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: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2553.696684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.696684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.759033 (E_RNA)
where:
Base-Base interactions energy: -1793.957
where: short stacking energy: -768.917
Base-Backbone interact. energy: -3.129
local terms energy: -760.673340
where:
bonds (distance) C4'-P energy: -127.113
bonds (distance) P-C4' energy: -128.692
flat angles C4'-P-C4' energy: -175.338
flat angles P-C4'-P energy: -98.632
tors. eta vs tors. theta energy: -230.899
Dist. restrs. and SS energy: 4.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2436.564502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.564502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.608025 (E_RNA)
where:
Base-Base interactions energy: -1721.928
where: short stacking energy: -725.251
Base-Backbone interact. energy: 4.831
local terms energy: -721.511190
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -126.996
flat angles C4'-P-C4' energy: -156.315
flat angles P-C4'-P energy: -110.953
tors. eta vs tors. theta energy: -207.213
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2367.567882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.567882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.715546 (E_RNA)
where:
Base-Base interactions energy: -1664.442
where: short stacking energy: -670.663
Base-Backbone interact. energy: -2.351
local terms energy: -708.921894
where:
bonds (distance) C4'-P energy: -128.303
bonds (distance) P-C4' energy: -136.146
flat angles C4'-P-C4' energy: -148.427
flat angles P-C4'-P energy: -99.809
tors. eta vs tors. theta energy: -196.236
Dist. restrs. and SS energy: 8.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2234.625367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.625367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.759211 (E_RNA)
where:
Base-Base interactions energy: -1586.802
where: short stacking energy: -659.576
Base-Backbone interact. energy: -0.492
local terms energy: -657.465338
where:
bonds (distance) C4'-P energy: -113.702
bonds (distance) P-C4' energy: -133.035
flat angles C4'-P-C4' energy: -141.658
flat angles P-C4'-P energy: -69.802
tors. eta vs tors. theta energy: -199.268
Dist. restrs. and SS energy: 10.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2278.805984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.805984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.196381 (E_RNA)
where:
Base-Base interactions energy: -1577.387
where: short stacking energy: -654.959
Base-Backbone interact. energy: -0.482
local terms energy: -707.327269
where:
bonds (distance) C4'-P energy: -141.730
bonds (distance) P-C4' energy: -131.809
flat angles C4'-P-C4' energy: -143.555
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -201.633
Dist. restrs. and SS energy: 6.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -2106.911836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.911836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.549035 (E_RNA)
where:
Base-Base interactions energy: -1531.620
where: short stacking energy: -623.945
Base-Backbone interact. energy: -3.693
local terms energy: -580.235803
where:
bonds (distance) C4'-P energy: -78.668
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -125.759
flat angles P-C4'-P energy: -89.369
tors. eta vs tors. theta energy: -173.194
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: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1888.785693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.785693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.234453 (E_RNA)
where:
Base-Base interactions energy: -1325.431
where: short stacking energy: -538.298
Base-Backbone interact. energy: -2.547
local terms energy: -586.256021
where:
bonds (distance) C4'-P energy: -113.789
bonds (distance) P-C4' energy: -107.638
flat angles C4'-P-C4' energy: -136.886
flat angles P-C4'-P energy: -77.044
tors. eta vs tors. theta energy: -150.899
Dist. restrs. and SS energy: 25.449 (S_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: 484
Temperature: 0.900000
Total energy: -2769.770049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.770049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.074291 (E_RNA)
where:
Base-Base interactions energy: -1960.806
where: short stacking energy: -812.561
Base-Backbone interact. energy: -3.864
local terms energy: -809.404358
where:
bonds (distance) C4'-P energy: -131.813
bonds (distance) P-C4' energy: -143.489
flat angles C4'-P-C4' energy: -166.184
flat angles P-C4'-P energy: -130.900
tors. eta vs tors. theta energy: -237.018
Dist. restrs. and SS energy: 4.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2760.029758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.029758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.900999 (E_RNA)
where:
Base-Base interactions energy: -1945.035
where: short stacking energy: -838.437
Base-Backbone interact. energy: -2.652
local terms energy: -816.214392
where:
bonds (distance) C4'-P energy: -139.760
bonds (distance) P-C4' energy: -130.598
flat angles C4'-P-C4' energy: -173.790
flat angles P-C4'-P energy: -113.534
tors. eta vs tors. theta energy: -258.533
Dist. restrs. and SS energy: 3.871 (S_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: 484
Temperature: 1.000000
Total energy: -2627.788128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.788128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.609228 (E_RNA)
where:
Base-Base interactions energy: -1830.676
where: short stacking energy: -744.032
Base-Backbone interact. energy: -2.488
local terms energy: -796.445630
where:
bonds (distance) C4'-P energy: -135.090
bonds (distance) P-C4' energy: -150.967
flat angles C4'-P-C4' energy: -170.853
flat angles P-C4'-P energy: -113.185
tors. eta vs tors. theta energy: -226.351
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2555.009226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.009226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.011293 (E_RNA)
where:
Base-Base interactions energy: -1789.430
where: short stacking energy: -741.727
Base-Backbone interact. energy: -5.654
local terms energy: -764.927268
where:
bonds (distance) C4'-P energy: -122.348
bonds (distance) P-C4' energy: -152.566
flat angles C4'-P-C4' energy: -158.116
flat angles P-C4'-P energy: -102.498
tors. eta vs tors. theta energy: -229.398
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: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2435.332152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.332152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.637653 (E_RNA)
where:
Base-Base interactions energy: -1720.666
where: short stacking energy: -745.359
Base-Backbone interact. energy: -2.937
local terms energy: -719.034246
where:
bonds (distance) C4'-P energy: -122.441
bonds (distance) P-C4' energy: -125.801
flat angles C4'-P-C4' energy: -154.085
flat angles P-C4'-P energy: -98.494
tors. eta vs tors. theta energy: -218.212
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: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2351.020713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.020713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.029596 (E_RNA)
where:
Base-Base interactions energy: -1663.841
where: short stacking energy: -690.873
Base-Backbone interact. energy: -0.632
local terms energy: -690.556566
where:
bonds (distance) C4'-P energy: -106.348
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -150.757
flat angles P-C4'-P energy: -99.945
tors. eta vs tors. theta energy: -206.557
Dist. restrs. and SS energy: 4.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2341.440858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.440858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.494908 (E_RNA)
where:
Base-Base interactions energy: -1660.959
where: short stacking energy: -707.952
Base-Backbone interact. energy: 5.370
local terms energy: -690.905265
where:
bonds (distance) C4'-P energy: -112.765
bonds (distance) P-C4' energy: -123.514
flat angles C4'-P-C4' energy: -151.621
flat angles P-C4'-P energy: -96.454
tors. eta vs tors. theta energy: -206.551
Dist. restrs. and SS energy: 5.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2185.331914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.331914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.123532 (E_RNA)
where:
Base-Base interactions energy: -1554.540
where: short stacking energy: -652.160
Base-Backbone interact. energy: 1.600
local terms energy: -650.183251
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -126.842
flat angles C4'-P-C4' energy: -137.185
flat angles P-C4'-P energy: -81.877
tors. eta vs tors. theta energy: -194.153
Dist. restrs. and SS energy: 17.792 (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: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -2063.208685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.208685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.545738 (E_RNA)
where:
Base-Base interactions energy: -1459.913
where: short stacking energy: -604.925
Base-Backbone interact. energy: -1.084
local terms energy: -612.548560
where:
bonds (distance) C4'-P energy: -129.784
bonds (distance) P-C4' energy: -103.753
flat angles C4'-P-C4' energy: -144.800
flat angles P-C4'-P energy: -70.633
tors. eta vs tors. theta energy: -163.579
Dist. restrs. and SS energy: 10.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1869.361563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.361563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.014733 (E_RNA)
where:
Base-Base interactions energy: -1321.946
where: short stacking energy: -550.707
Base-Backbone interact. energy: 0.726
local terms energy: -574.794624
where:
bonds (distance) C4'-P energy: -121.111
bonds (distance) P-C4' energy: -113.946
flat angles C4'-P-C4' energy: -118.463
flat angles P-C4'-P energy: -62.328
tors. eta vs tors. theta energy: -158.946
Dist. restrs. and SS energy: 26.653 (S_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: 485
Temperature: 0.900000
Total energy: -2762.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.084469 (E_RNA)
where:
Base-Base interactions energy: -1923.962
where: short stacking energy: -771.984
Base-Backbone interact. energy: -5.564
local terms energy: -835.558395
where:
bonds (distance) C4'-P energy: -155.548
bonds (distance) P-C4' energy: -150.801
flat angles C4'-P-C4' energy: -175.431
flat angles P-C4'-P energy: -115.086
tors. eta vs tors. theta energy: -238.694
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2751.160785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.160785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.849524 (E_RNA)
where:
Base-Base interactions energy: -1921.783
where: short stacking energy: -801.983
Base-Backbone interact. energy: -0.533
local terms energy: -832.533179
where:
bonds (distance) C4'-P energy: -147.663
bonds (distance) P-C4' energy: -146.743
flat angles C4'-P-C4' energy: -168.322
flat angles P-C4'-P energy: -123.602
tors. eta vs tors. theta energy: -246.203
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2632.651858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.651858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.277674 (E_RNA)
where:
Base-Base interactions energy: -1831.618
where: short stacking energy: -784.945
Base-Backbone interact. energy: -4.561
local terms energy: -799.099064
where:
bonds (distance) C4'-P energy: -121.185
bonds (distance) P-C4' energy: -140.039
flat angles C4'-P-C4' energy: -178.331
flat angles P-C4'-P energy: -113.628
tors. eta vs tors. theta energy: -245.916
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2556.743856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.743856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.214419 (E_RNA)
where:
Base-Base interactions energy: -1798.942
where: short stacking energy: -770.861
Base-Backbone interact. energy: -3.465
local terms energy: -758.808159
where:
bonds (distance) C4'-P energy: -124.252
bonds (distance) P-C4' energy: -134.830
flat angles C4'-P-C4' energy: -146.694
flat angles P-C4'-P energy: -123.659
tors. eta vs tors. theta energy: -229.373
Dist. restrs. and SS energy: 4.471 (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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2416.662732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.662732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.082457 (E_RNA)
where:
Base-Base interactions energy: -1709.595
where: short stacking energy: -715.580
Base-Backbone interact. energy: 5.659
local terms energy: -722.146768
where:
bonds (distance) C4'-P energy: -111.887
bonds (distance) P-C4' energy: -136.297
flat angles C4'-P-C4' energy: -152.747
flat angles P-C4'-P energy: -105.260
tors. eta vs tors. theta energy: -215.956
Dist. restrs. and SS energy: 9.420 (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: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2340.640274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.640274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.517798 (E_RNA)
where:
Base-Base interactions energy: -1634.636
where: short stacking energy: -694.137
Base-Backbone interact. energy: -3.141
local terms energy: -707.740253
where:
bonds (distance) C4'-P energy: -112.303
bonds (distance) P-C4' energy: -145.185
flat angles C4'-P-C4' energy: -156.310
flat angles P-C4'-P energy: -97.904
tors. eta vs tors. theta energy: -196.038
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: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2363.892387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.892387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.404672 (E_RNA)
where:
Base-Base interactions energy: -1668.428
where: short stacking energy: -691.562
Base-Backbone interact. energy: -6.692
local terms energy: -695.284627
where:
bonds (distance) C4'-P energy: -107.450
bonds (distance) P-C4' energy: -112.048
flat angles C4'-P-C4' energy: -151.208
flat angles P-C4'-P energy: -105.845
tors. eta vs tors. theta energy: -218.734
Dist. restrs. and SS energy: 6.512 (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: 485
Temperature: 1.250000
Total energy: -2201.841004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.841004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.443876 (E_RNA)
where:
Base-Base interactions energy: -1558.899
where: short stacking energy: -638.193
Base-Backbone interact. energy: -0.023
local terms energy: -654.522098
where:
bonds (distance) C4'-P energy: -119.564
bonds (distance) P-C4' energy: -131.500
flat angles C4'-P-C4' energy: -142.979
flat angles P-C4'-P energy: -93.935
tors. eta vs tors. theta energy: -166.543
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: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -2134.532057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.532057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.652690 (E_RNA)
where:
Base-Base interactions energy: -1501.626
where: short stacking energy: -626.232
Base-Backbone interact. energy: -2.691
local terms energy: -637.335578
where:
bonds (distance) C4'-P energy: -127.051
bonds (distance) P-C4' energy: -106.128
flat angles C4'-P-C4' energy: -125.453
flat angles P-C4'-P energy: -97.456
tors. eta vs tors. theta energy: -181.247
Dist. restrs. and SS energy: 7.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1824.881286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.881286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.443442 (E_RNA)
where:
Base-Base interactions energy: -1329.298
where: short stacking energy: -518.799
Base-Backbone interact. energy: -0.224
local terms energy: -519.922155
where:
bonds (distance) C4'-P energy: -108.007
bonds (distance) P-C4' energy: -91.069
flat angles C4'-P-C4' energy: -120.197
flat angles P-C4'-P energy: -67.159
tors. eta vs tors. theta energy: -133.490
Dist. restrs. and SS energy: 24.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2783.731755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.731755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.455844 (E_RNA)
where:
Base-Base interactions energy: -1937.803
where: short stacking energy: -846.882
Base-Backbone interact. energy: -2.338
local terms energy: -845.314569
where:
bonds (distance) C4'-P energy: -147.250
bonds (distance) P-C4' energy: -143.724
flat angles C4'-P-C4' energy: -171.897
flat angles P-C4'-P energy: -122.476
tors. eta vs tors. theta energy: -259.968
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2720.977542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.977542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.208621 (E_RNA)
where:
Base-Base interactions energy: -1898.164
where: short stacking energy: -767.882
Base-Backbone interact. energy: -5.600
local terms energy: -819.444753
where:
bonds (distance) C4'-P energy: -144.821
bonds (distance) P-C4' energy: -159.459
flat angles C4'-P-C4' energy: -168.255
flat angles P-C4'-P energy: -116.574
tors. eta vs tors. theta energy: -230.335
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2638.056052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.056052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.088460 (E_RNA)
where:
Base-Base interactions energy: -1828.955
where: short stacking energy: -783.180
Base-Backbone interact. energy: -5.937
local terms energy: -807.196141
where:
bonds (distance) C4'-P energy: -144.322
bonds (distance) P-C4' energy: -155.190
flat angles C4'-P-C4' energy: -175.342
flat angles P-C4'-P energy: -100.197
tors. eta vs tors. theta energy: -232.146
Dist. restrs. and SS energy: 4.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2536.719259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.719259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.868072 (E_RNA)
where:
Base-Base interactions energy: -1788.446
where: short stacking energy: -763.284
Base-Backbone interact. energy: -2.583
local terms energy: -749.839256
where:
bonds (distance) C4'-P energy: -137.280
bonds (distance) P-C4' energy: -124.276
flat angles C4'-P-C4' energy: -151.198
flat angles P-C4'-P energy: -108.695
tors. eta vs tors. theta energy: -228.390
Dist. restrs. and SS energy: 4.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2452.077292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.077292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.297087 (E_RNA)
where:
Base-Base interactions energy: -1685.439
where: short stacking energy: -733.510
Base-Backbone interact. energy: -3.179
local terms energy: -770.678456
where:
bonds (distance) C4'-P energy: -130.402
bonds (distance) P-C4' energy: -129.380
flat angles C4'-P-C4' energy: -167.545
flat angles P-C4'-P energy: -117.273
tors. eta vs tors. theta energy: -226.078
Dist. restrs. and SS energy: 7.220 (S_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: 486
Temperature: 1.150000
Total energy: -2337.104068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.104068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.479334 (E_RNA)
where:
Base-Base interactions energy: -1640.660
where: short stacking energy: -703.789
Base-Backbone interact. energy: -2.236
local terms energy: -699.584219
where:
bonds (distance) C4'-P energy: -114.721
bonds (distance) P-C4' energy: -139.251
flat angles C4'-P-C4' energy: -139.650
flat angles P-C4'-P energy: -93.967
tors. eta vs tors. theta energy: -211.996
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: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2323.196349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.196349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.916834 (E_RNA)
where:
Base-Base interactions energy: -1622.756
where: short stacking energy: -669.527
Base-Backbone interact. energy: -2.592
local terms energy: -705.568889
where:
bonds (distance) C4'-P energy: -119.783
bonds (distance) P-C4' energy: -140.661
flat angles C4'-P-C4' energy: -150.414
flat angles P-C4'-P energy: -94.790
tors. eta vs tors. theta energy: -199.921
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: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2206.978084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.978084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.204545 (E_RNA)
where:
Base-Base interactions energy: -1575.073
where: short stacking energy: -666.149
Base-Backbone interact. energy: -1.551
local terms energy: -639.580594
where:
bonds (distance) C4'-P energy: -98.832
bonds (distance) P-C4' energy: -130.709
flat angles C4'-P-C4' energy: -137.895
flat angles P-C4'-P energy: -72.371
tors. eta vs tors. theta energy: -199.774
Dist. restrs. and SS energy: 9.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -2131.804830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.804830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.301292 (E_RNA)
where:
Base-Base interactions energy: -1522.605
where: short stacking energy: -626.018
Base-Backbone interact. energy: 0.661
local terms energy: -617.357338
where:
bonds (distance) C4'-P energy: -104.085
bonds (distance) P-C4' energy: -115.645
flat angles C4'-P-C4' energy: -142.129
flat angles P-C4'-P energy: -78.756
tors. eta vs tors. theta energy: -176.743
Dist. restrs. and SS energy: 7.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1891.806755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.806755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.038790 (E_RNA)
where:
Base-Base interactions energy: -1325.058
where: short stacking energy: -556.942
Base-Backbone interact. energy: 2.424
local terms energy: -598.404808
where:
bonds (distance) C4'-P energy: -102.717
bonds (distance) P-C4' energy: -104.821
flat angles C4'-P-C4' energy: -141.811
flat angles P-C4'-P energy: -87.213
tors. eta vs tors. theta energy: -161.843
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: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2798.077848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.077848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.594298 (E_RNA)
where:
Base-Base interactions energy: -1946.055
where: short stacking energy: -824.433
Base-Backbone interact. energy: -2.000
local terms energy: -852.539173
where:
bonds (distance) C4'-P energy: -140.961
bonds (distance) P-C4' energy: -155.677
flat angles C4'-P-C4' energy: -182.319
flat angles P-C4'-P energy: -121.350
tors. eta vs tors. theta energy: -252.232
Dist. restrs. and SS energy: 2.516 (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: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2714.183130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.183130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.508829 (E_RNA)
where:
Base-Base interactions energy: -1872.267
where: short stacking energy: -807.553
Base-Backbone interact. energy: -2.997
local terms energy: -842.244637
where:
bonds (distance) C4'-P energy: -154.387
bonds (distance) P-C4' energy: -150.631
flat angles C4'-P-C4' energy: -180.510
flat angles P-C4'-P energy: -112.899
tors. eta vs tors. theta energy: -243.818
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: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2657.789737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.789737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.337321 (E_RNA)
where:
Base-Base interactions energy: -1904.560
where: short stacking energy: -771.318
Base-Backbone interact. energy: -2.176
local terms energy: -754.601857
where:
bonds (distance) C4'-P energy: -139.247
bonds (distance) P-C4' energy: -135.722
flat angles C4'-P-C4' energy: -156.818
flat angles P-C4'-P energy: -105.523
tors. eta vs tors. theta energy: -217.292
Dist. restrs. and SS energy: 3.548 (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: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2567.414215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.414215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.653819 (E_RNA)
where:
Base-Base interactions energy: -1785.718
where: short stacking energy: -773.107
Base-Backbone interact. energy: -1.730
local terms energy: -785.206617
where:
bonds (distance) C4'-P energy: -135.759
bonds (distance) P-C4' energy: -132.616
flat angles C4'-P-C4' energy: -169.188
flat angles P-C4'-P energy: -118.565
tors. eta vs tors. theta energy: -229.079
Dist. restrs. and SS energy: 5.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2409.205478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.205478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.281755 (E_RNA)
where:
Base-Base interactions energy: -1715.172
where: short stacking energy: -722.450
Base-Backbone interact. energy: -1.770
local terms energy: -699.340231
where:
bonds (distance) C4'-P energy: -117.722
bonds (distance) P-C4' energy: -126.585
flat angles C4'-P-C4' energy: -155.714
flat angles P-C4'-P energy: -91.429
tors. eta vs tors. theta energy: -207.890
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: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2366.115789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.115789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.113276 (E_RNA)
where:
Base-Base interactions energy: -1663.507
where: short stacking energy: -688.747
Base-Backbone interact. energy: -3.686
local terms energy: -704.919866
where:
bonds (distance) C4'-P energy: -124.931
bonds (distance) P-C4' energy: -124.575
flat angles C4'-P-C4' energy: -162.590
flat angles P-C4'-P energy: -95.531
tors. eta vs tors. theta energy: -197.293
Dist. restrs. and SS energy: 5.997 (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: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2296.158525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.158525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.642036 (E_RNA)
where:
Base-Base interactions energy: -1635.536
where: short stacking energy: -692.977
Base-Backbone interact. energy: 2.650
local terms energy: -674.755849
where:
bonds (distance) C4'-P energy: -104.413
bonds (distance) P-C4' energy: -118.697
flat angles C4'-P-C4' energy: -148.161
flat angles P-C4'-P energy: -106.555
tors. eta vs tors. theta energy: -196.929
Dist. restrs. and SS energy: 11.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2188.394036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.394036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.182543 (E_RNA)
where:
Base-Base interactions energy: -1548.834
where: short stacking energy: -654.509
Base-Backbone interact. energy: -3.405
local terms energy: -644.943878
where:
bonds (distance) C4'-P energy: -109.366
bonds (distance) P-C4' energy: -107.577
flat angles C4'-P-C4' energy: -149.850
flat angles P-C4'-P energy: -87.232
tors. eta vs tors. theta energy: -190.918
Dist. restrs. and SS energy: 8.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -2058.372918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.372918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.649631 (E_RNA)
where:
Base-Base interactions energy: -1449.104
where: short stacking energy: -596.415
Base-Backbone interact. energy: 1.006
local terms energy: -621.551662
where:
bonds (distance) C4'-P energy: -105.151
bonds (distance) P-C4' energy: -114.222
flat angles C4'-P-C4' energy: -137.045
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -176.237
Dist. restrs. and SS energy: 11.277 (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: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1933.217792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.217792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.218937 (E_RNA)
where:
Base-Base interactions energy: -1353.251
where: short stacking energy: -559.951
Base-Backbone interact. energy: 1.316
local terms energy: -606.284495
where:
bonds (distance) C4'-P energy: -129.546
bonds (distance) P-C4' energy: -127.534
flat angles C4'-P-C4' energy: -115.442
flat angles P-C4'-P energy: -79.440
tors. eta vs tors. theta energy: -154.323
Dist. restrs. and SS energy: 25.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2782.535263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.535263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.743700 (E_RNA)
where:
Base-Base interactions energy: -1929.760
where: short stacking energy: -835.020
Base-Backbone interact. energy: -2.067
local terms energy: -853.916437
where:
bonds (distance) C4'-P energy: -154.109
bonds (distance) P-C4' energy: -149.093
flat angles C4'-P-C4' energy: -170.726
flat angles P-C4'-P energy: -118.370
tors. eta vs tors. theta energy: -261.618
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2682.299209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.299209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.810587 (E_RNA)
where:
Base-Base interactions energy: -1883.059
where: short stacking energy: -810.986
Base-Backbone interact. energy: -3.856
local terms energy: -799.895792
where:
bonds (distance) C4'-P energy: -145.977
bonds (distance) P-C4' energy: -133.131
flat angles C4'-P-C4' energy: -165.314
flat angles P-C4'-P energy: -114.701
tors. eta vs tors. theta energy: -240.773
Dist. restrs. and SS energy: 4.511 (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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2622.041849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.041849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.250072 (E_RNA)
where:
Base-Base interactions energy: -1865.921
where: short stacking energy: -768.345
Base-Backbone interact. energy: -4.263
local terms energy: -754.065957
where:
bonds (distance) C4'-P energy: -139.158
bonds (distance) P-C4' energy: -111.951
flat angles C4'-P-C4' energy: -160.204
flat angles P-C4'-P energy: -114.356
tors. eta vs tors. theta energy: -228.397
Dist. restrs. and SS energy: 2.208 (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: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2528.195519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.195519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.670044 (E_RNA)
where:
Base-Base interactions energy: -1763.183
where: short stacking energy: -742.601
Base-Backbone interact. energy: -4.500
local terms energy: -761.987003
where:
bonds (distance) C4'-P energy: -141.028
bonds (distance) P-C4' energy: -116.786
flat angles C4'-P-C4' energy: -165.792
flat angles P-C4'-P energy: -116.047
tors. eta vs tors. theta energy: -222.334
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2404.262782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.262782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.343187 (E_RNA)
where:
Base-Base interactions energy: -1682.670
where: short stacking energy: -699.940
Base-Backbone interact. energy: -2.479
local terms energy: -725.194329
where:
bonds (distance) C4'-P energy: -131.066
bonds (distance) P-C4' energy: -123.876
flat angles C4'-P-C4' energy: -163.580
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -205.383
Dist. restrs. and SS energy: 6.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2366.764548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.764548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.488331 (E_RNA)
where:
Base-Base interactions energy: -1693.606
where: short stacking energy: -687.438
Base-Backbone interact. energy: -1.020
local terms energy: -680.862485
where:
bonds (distance) C4'-P energy: -111.666
bonds (distance) P-C4' energy: -118.838
flat angles C4'-P-C4' energy: -152.076
flat angles P-C4'-P energy: -83.506
tors. eta vs tors. theta energy: -214.776
Dist. restrs. and SS energy: 8.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2330.740843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.740843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.617368 (E_RNA)
where:
Base-Base interactions energy: -1630.160
where: short stacking energy: -678.877
Base-Backbone interact. energy: -1.394
local terms energy: -708.063746
where:
bonds (distance) C4'-P energy: -127.665
bonds (distance) P-C4' energy: -112.649
flat angles C4'-P-C4' energy: -158.377
flat angles P-C4'-P energy: -98.536
tors. eta vs tors. theta energy: -210.837
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: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -2187.157428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.157428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.189139 (E_RNA)
where:
Base-Base interactions energy: -1557.859
where: short stacking energy: -639.936
Base-Backbone interact. energy: -3.087
local terms energy: -638.243895
where:
bonds (distance) C4'-P energy: -98.281
bonds (distance) P-C4' energy: -123.202
flat angles C4'-P-C4' energy: -135.210
flat angles P-C4'-P energy: -97.975
tors. eta vs tors. theta energy: -183.577
Dist. restrs. and SS energy: 12.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1973.027797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.027797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.532549 (E_RNA)
where:
Base-Base interactions energy: -1394.395
where: short stacking energy: -562.587
Base-Backbone interact. energy: -3.536
local terms energy: -595.601427
where:
bonds (distance) C4'-P energy: -115.752
bonds (distance) P-C4' energy: -99.142
flat angles C4'-P-C4' energy: -139.905
flat angles P-C4'-P energy: -79.864
tors. eta vs tors. theta energy: -160.938
Dist. restrs. and SS energy: 20.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -2011.363363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.363363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.907742 (E_RNA)
where:
Base-Base interactions energy: -1448.758
where: short stacking energy: -619.124
Base-Backbone interact. energy: 1.914
local terms energy: -578.063576
where:
bonds (distance) C4'-P energy: -98.106
bonds (distance) P-C4' energy: -100.928
flat angles C4'-P-C4' energy: -121.287
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -178.809
Dist. restrs. and SS energy: 13.544 (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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2782.146980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.146980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.620334 (E_RNA)
where:
Base-Base interactions energy: -1948.684
where: short stacking energy: -834.578
Base-Backbone interact. energy: -2.522
local terms energy: -835.414198
where:
bonds (distance) C4'-P energy: -140.109
bonds (distance) P-C4' energy: -134.746
flat angles C4'-P-C4' energy: -177.179
flat angles P-C4'-P energy: -128.649
tors. eta vs tors. theta energy: -254.731
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2699.218084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.218084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.410829 (E_RNA)
where:
Base-Base interactions energy: -1866.192
where: short stacking energy: -785.174
Base-Backbone interact. energy: -4.508
local terms energy: -831.710393
where:
bonds (distance) C4'-P energy: -133.322
bonds (distance) P-C4' energy: -150.327
flat angles C4'-P-C4' energy: -171.420
flat angles P-C4'-P energy: -119.411
tors. eta vs tors. theta energy: -257.231
Dist. restrs. and SS energy: 3.193 (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: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2617.217758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.217758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.517690 (E_RNA)
where:
Base-Base interactions energy: -1840.770
where: short stacking energy: -789.583
Base-Backbone interact. energy: -2.244
local terms energy: -777.503326
where:
bonds (distance) C4'-P energy: -123.463
bonds (distance) P-C4' energy: -153.336
flat angles C4'-P-C4' energy: -167.187
flat angles P-C4'-P energy: -105.818
tors. eta vs tors. theta energy: -227.701
Dist. restrs. and SS energy: 3.300 (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: 489
Temperature: 1.050000
Total energy: -2579.471313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.471313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.942894 (E_RNA)
where:
Base-Base interactions energy: -1796.686
where: short stacking energy: -745.727
Base-Backbone interact. energy: -0.121
local terms energy: -786.135987
where:
bonds (distance) C4'-P energy: -130.964
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -170.148
flat angles P-C4'-P energy: -119.432
tors. eta vs tors. theta energy: -229.137
Dist. restrs. and SS energy: 3.472 (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: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2414.763685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.763685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.141714 (E_RNA)
where:
Base-Base interactions energy: -1704.413
where: short stacking energy: -720.267
Base-Backbone interact. energy: 1.689
local terms energy: -717.417657
where:
bonds (distance) C4'-P energy: -117.581
bonds (distance) P-C4' energy: -128.386
flat angles C4'-P-C4' energy: -160.618
flat angles P-C4'-P energy: -98.371
tors. eta vs tors. theta energy: -212.461
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: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2371.225017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.225017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.651904 (E_RNA)
where:
Base-Base interactions energy: -1682.511
where: short stacking energy: -686.605
Base-Backbone interact. energy: -2.556
local terms energy: -693.584591
where:
bonds (distance) C4'-P energy: -119.208
bonds (distance) P-C4' energy: -122.170
flat angles C4'-P-C4' energy: -156.840
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -204.994
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: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2330.524764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.524764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.019318 (E_RNA)
where:
Base-Base interactions energy: -1669.032
where: short stacking energy: -675.534
Base-Backbone interact. energy: 2.674
local terms energy: -670.661310
where:
bonds (distance) C4'-P energy: -119.930
bonds (distance) P-C4' energy: -133.999
flat angles C4'-P-C4' energy: -136.094
flat angles P-C4'-P energy: -92.411
tors. eta vs tors. theta energy: -188.227
Dist. restrs. and SS energy: 6.495 (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: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2167.767959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.767959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.445801 (E_RNA)
where:
Base-Base interactions energy: -1527.157
where: short stacking energy: -635.868
Base-Backbone interact. energy: 0.704
local terms energy: -650.992479
where:
bonds (distance) C4'-P energy: -111.153
bonds (distance) P-C4' energy: -125.703
flat angles C4'-P-C4' energy: -142.347
flat angles P-C4'-P energy: -86.931
tors. eta vs tors. theta energy: -184.858
Dist. restrs. and SS energy: 9.678 (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: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1965.764290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.764290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.119772 (E_RNA)
where:
Base-Base interactions energy: -1410.516
where: short stacking energy: -569.867
Base-Backbone interact. energy: 1.144
local terms energy: -573.748416
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -97.302
flat angles C4'-P-C4' energy: -148.148
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -161.782
Dist. restrs. and SS energy: 17.355 (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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -2040.443229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.443229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.572790 (E_RNA)
where:
Base-Base interactions energy: -1467.673
where: short stacking energy: -613.094
Base-Backbone interact. energy: -0.981
local terms energy: -583.918600
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -140.937
flat angles P-C4'-P energy: -74.995
tors. eta vs tors. theta energy: -177.853
Dist. restrs. and SS energy: 12.130 (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: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2749.452520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.452520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.306572 (E_RNA)
where:
Base-Base interactions energy: -1938.374
where: short stacking energy: -811.148
Base-Backbone interact. energy: -3.213
local terms energy: -810.719151
where:
bonds (distance) C4'-P energy: -141.470
bonds (distance) P-C4' energy: -145.653
flat angles C4'-P-C4' energy: -157.835
flat angles P-C4'-P energy: -129.522
tors. eta vs tors. theta energy: -236.240
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2729.920342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.920342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.100355 (E_RNA)
where:
Base-Base interactions energy: -1904.317
where: short stacking energy: -827.462
Base-Backbone interact. energy: -1.449
local terms energy: -827.334008
where:
bonds (distance) C4'-P energy: -145.761
bonds (distance) P-C4' energy: -144.973
flat angles C4'-P-C4' energy: -165.336
flat angles P-C4'-P energy: -124.507
tors. eta vs tors. theta energy: -246.757
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2636.121315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.121315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.392316 (E_RNA)
where:
Base-Base interactions energy: -1856.350
where: short stacking energy: -805.291
Base-Backbone interact. energy: 0.087
local terms energy: -783.129326
where:
bonds (distance) C4'-P energy: -139.506
bonds (distance) P-C4' energy: -128.406
flat angles C4'-P-C4' energy: -162.510
flat angles P-C4'-P energy: -112.845
tors. eta vs tors. theta energy: -239.862
Dist. restrs. and SS energy: 3.271 (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: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2565.759835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.759835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.427613 (E_RNA)
where:
Base-Base interactions energy: -1814.794
where: short stacking energy: -748.280
Base-Backbone interact. energy: -4.966
local terms energy: -751.667305
where:
bonds (distance) C4'-P energy: -133.234
bonds (distance) P-C4' energy: -134.819
flat angles C4'-P-C4' energy: -150.652
flat angles P-C4'-P energy: -108.498
tors. eta vs tors. theta energy: -224.465
Dist. restrs. and SS energy: 5.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2465.159100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.159100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.900474 (E_RNA)
where:
Base-Base interactions energy: -1712.988
where: short stacking energy: -729.825
Base-Backbone interact. energy: -0.222
local terms energy: -759.690687
where:
bonds (distance) C4'-P energy: -129.826
bonds (distance) P-C4' energy: -142.020
flat angles C4'-P-C4' energy: -166.845
flat angles P-C4'-P energy: -99.263
tors. eta vs tors. theta energy: -221.736
Dist. restrs. and SS energy: 7.741 (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: 490
Temperature: 1.150000
Total energy: -2378.167893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.167893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.247794 (E_RNA)
where:
Base-Base interactions energy: -1678.078
where: short stacking energy: -694.834
Base-Backbone interact. energy: -3.491
local terms energy: -701.679353
where:
bonds (distance) C4'-P energy: -120.850
bonds (distance) P-C4' energy: -120.602
flat angles C4'-P-C4' energy: -155.118
flat angles P-C4'-P energy: -104.962
tors. eta vs tors. theta energy: -200.147
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2341.030170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.030170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.036914 (E_RNA)
where:
Base-Base interactions energy: -1649.385
where: short stacking energy: -673.539
Base-Backbone interact. energy: -2.175
local terms energy: -701.477661
where:
bonds (distance) C4'-P energy: -129.571
bonds (distance) P-C4' energy: -131.193
flat angles C4'-P-C4' energy: -154.714
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -194.844
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: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2227.487815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.487815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.213584 (E_RNA)
where:
Base-Base interactions energy: -1561.715
where: short stacking energy: -634.042
Base-Backbone interact. energy: -2.393
local terms energy: -670.105076
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -128.027
flat angles C4'-P-C4' energy: -138.396
flat angles P-C4'-P energy: -92.374
tors. eta vs tors. theta energy: -200.731
Dist. restrs. and SS energy: 6.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -2122.254422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.254422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.580475 (E_RNA)
where:
Base-Base interactions energy: -1499.835
where: short stacking energy: -618.018
Base-Backbone interact. energy: 1.056
local terms energy: -637.801352
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -113.984
flat angles C4'-P-C4' energy: -139.845
flat angles P-C4'-P energy: -88.706
tors. eta vs tors. theta energy: -181.257
Dist. restrs. and SS energy: 14.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1857.188813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.188813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.175777 (E_RNA)
where:
Base-Base interactions energy: -1325.670
where: short stacking energy: -549.235
Base-Backbone interact. energy: 3.594
local terms energy: -566.100133
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -105.325
flat angles C4'-P-C4' energy: -123.671
flat angles P-C4'-P energy: -73.483
tors. eta vs tors. theta energy: -149.668
Dist. restrs. and SS energy: 30.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2757.743642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.743642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.847236 (E_RNA)
where:
Base-Base interactions energy: -1933.060
where: short stacking energy: -816.371
Base-Backbone interact. energy: -1.624
local terms energy: -827.163634
where:
bonds (distance) C4'-P energy: -141.269
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -180.169
flat angles P-C4'-P energy: -117.325
tors. eta vs tors. theta energy: -243.905
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2685.382088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.382088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.074446 (E_RNA)
where:
Base-Base interactions energy: -1880.776
where: short stacking energy: -794.900
Base-Backbone interact. energy: -4.648
local terms energy: -802.650303
where:
bonds (distance) C4'-P energy: -143.216
bonds (distance) P-C4' energy: -135.079
flat angles C4'-P-C4' energy: -173.984
flat angles P-C4'-P energy: -114.188
tors. eta vs tors. theta energy: -236.183
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2689.949422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.949422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.734147 (E_RNA)
where:
Base-Base interactions energy: -1862.795
where: short stacking energy: -802.970
Base-Backbone interact. energy: -1.711
local terms energy: -828.227491
where:
bonds (distance) C4'-P energy: -126.145
bonds (distance) P-C4' energy: -148.455
flat angles C4'-P-C4' energy: -177.935
flat angles P-C4'-P energy: -120.291
tors. eta vs tors. theta energy: -255.402
Dist. restrs. and SS energy: 2.785 (S_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: 491
Temperature: 1.050000
Total energy: -2561.480031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.480031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.580373 (E_RNA)
where:
Base-Base interactions energy: -1811.921
where: short stacking energy: -760.503
Base-Backbone interact. energy: -2.363
local terms energy: -751.297073
where:
bonds (distance) C4'-P energy: -137.951
bonds (distance) P-C4' energy: -135.649
flat angles C4'-P-C4' energy: -159.908
flat angles P-C4'-P energy: -98.797
tors. eta vs tors. theta energy: -218.992
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: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2427.130206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.130206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.046229 (E_RNA)
where:
Base-Base interactions energy: -1720.931
where: short stacking energy: -735.885
Base-Backbone interact. energy: -3.315
local terms energy: -708.800493
where:
bonds (distance) C4'-P energy: -116.423
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -152.889
flat angles P-C4'-P energy: -87.888
tors. eta vs tors. theta energy: -223.542
Dist. restrs. and SS energy: 5.916 (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: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2379.686168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.686168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.255588 (E_RNA)
where:
Base-Base interactions energy: -1675.682
where: short stacking energy: -715.838
Base-Backbone interact. energy: -0.676
local terms energy: -708.897268
where:
bonds (distance) C4'-P energy: -138.577
bonds (distance) P-C4' energy: -122.379
flat angles C4'-P-C4' energy: -145.641
flat angles P-C4'-P energy: -90.135
tors. eta vs tors. theta energy: -212.165
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2356.876363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.876363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.230837 (E_RNA)
where:
Base-Base interactions energy: -1668.336
where: short stacking energy: -713.351
Base-Backbone interact. energy: 1.340
local terms energy: -700.234486
where:
bonds (distance) C4'-P energy: -131.329
bonds (distance) P-C4' energy: -120.205
flat angles C4'-P-C4' energy: -139.962
flat angles P-C4'-P energy: -108.372
tors. eta vs tors. theta energy: -200.368
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: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -2195.031494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.031494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.956909 (E_RNA)
where:
Base-Base interactions energy: -1564.191
where: short stacking energy: -642.917
Base-Backbone interact. energy: -1.217
local terms energy: -641.549080
where:
bonds (distance) C4'-P energy: -100.715
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -148.062
flat angles P-C4'-P energy: -82.501
tors. eta vs tors. theta energy: -193.874
Dist. restrs. and SS energy: 11.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -2164.815208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.815208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.790129 (E_RNA)
where:
Base-Base interactions energy: -1516.678
where: short stacking energy: -629.936
Base-Backbone interact. energy: 2.651
local terms energy: -659.762288
where:
bonds (distance) C4'-P energy: -129.221
bonds (distance) P-C4' energy: -116.848
flat angles C4'-P-C4' energy: -124.883
flat angles P-C4'-P energy: -105.445
tors. eta vs tors. theta energy: -183.365
Dist. restrs. and SS energy: 8.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1787.740963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.740963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.227030 (E_RNA)
where:
Base-Base interactions energy: -1244.861
where: short stacking energy: -520.138
Base-Backbone interact. energy: -5.392
local terms energy: -565.974105
where:
bonds (distance) C4'-P energy: -87.769
bonds (distance) P-C4' energy: -121.428
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -148.922
Dist. restrs. and SS energy: 28.486 (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: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2738.480346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.480346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.921911 (E_RNA)
where:
Base-Base interactions energy: -1904.783
where: short stacking energy: -819.710
Base-Backbone interact. energy: -1.902
local terms energy: -835.236746
where:
bonds (distance) C4'-P energy: -152.559
bonds (distance) P-C4' energy: -146.572
flat angles C4'-P-C4' energy: -176.847
flat angles P-C4'-P energy: -115.730
tors. eta vs tors. theta energy: -243.529
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2676.514762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.514762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.957690 (E_RNA)
where:
Base-Base interactions energy: -1882.965
where: short stacking energy: -799.919
Base-Backbone interact. energy: -4.399
local terms energy: -792.593329
where:
bonds (distance) C4'-P energy: -153.151
bonds (distance) P-C4' energy: -128.640
flat angles C4'-P-C4' energy: -164.075
flat angles P-C4'-P energy: -104.978
tors. eta vs tors. theta energy: -241.750
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2668.913669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.913669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.286258 (E_RNA)
where:
Base-Base interactions energy: -1866.300
where: short stacking energy: -786.939
Base-Backbone interact. energy: -2.760
local terms energy: -803.226528
where:
bonds (distance) C4'-P energy: -137.717
bonds (distance) P-C4' energy: -147.238
flat angles C4'-P-C4' energy: -157.844
flat angles P-C4'-P energy: -106.440
tors. eta vs tors. theta energy: -253.987
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: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2560.016608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.016608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.016081 (E_RNA)
where:
Base-Base interactions energy: -1817.801
where: short stacking energy: -726.560
Base-Backbone interact. energy: -4.641
local terms energy: -744.574215
where:
bonds (distance) C4'-P energy: -119.672
bonds (distance) P-C4' energy: -136.047
flat angles C4'-P-C4' energy: -163.910
flat angles P-C4'-P energy: -107.096
tors. eta vs tors. theta energy: -217.848
Dist. restrs. and SS energy: 6.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2445.026835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.026835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.632356 (E_RNA)
where:
Base-Base interactions energy: -1719.187
where: short stacking energy: -712.009
Base-Backbone interact. energy: -1.903
local terms energy: -726.542643
where:
bonds (distance) C4'-P energy: -108.611
bonds (distance) P-C4' energy: -149.877
flat angles C4'-P-C4' energy: -152.397
flat angles P-C4'-P energy: -102.333
tors. eta vs tors. theta energy: -213.325
Dist. restrs. and SS energy: 2.606 (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: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2376.113107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.113107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.249993 (E_RNA)
where:
Base-Base interactions energy: -1662.828
where: short stacking energy: -714.354
Base-Backbone interact. energy: 3.038
local terms energy: -722.459499
where:
bonds (distance) C4'-P energy: -132.137
bonds (distance) P-C4' energy: -136.789
flat angles C4'-P-C4' energy: -150.362
flat angles P-C4'-P energy: -92.280
tors. eta vs tors. theta energy: -210.890
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: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2330.208210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.208210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.116736 (E_RNA)
where:
Base-Base interactions energy: -1640.320
where: short stacking energy: -693.047
Base-Backbone interact. energy: -0.974
local terms energy: -695.822984
where:
bonds (distance) C4'-P energy: -130.793
bonds (distance) P-C4' energy: -130.349
flat angles C4'-P-C4' energy: -140.728
flat angles P-C4'-P energy: -93.959
tors. eta vs tors. theta energy: -199.994
Dist. restrs. and SS energy: 6.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2181.876391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.876391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.920515 (E_RNA)
where:
Base-Base interactions energy: -1537.755
where: short stacking energy: -628.978
Base-Backbone interact. energy: -0.791
local terms energy: -655.374778
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -121.521
flat angles C4'-P-C4' energy: -140.225
flat angles P-C4'-P energy: -89.903
tors. eta vs tors. theta energy: -180.989
Dist. restrs. and SS energy: 12.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -2165.406932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.406932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.495336 (E_RNA)
where:
Base-Base interactions energy: -1526.223
where: short stacking energy: -648.032
Base-Backbone interact. energy: -1.339
local terms energy: -645.933785
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -134.049
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -189.647
Dist. restrs. and SS energy: 8.088 (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: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1830.721000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.721000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.401527 (E_RNA)
where:
Base-Base interactions energy: -1283.865
where: short stacking energy: -527.411
Base-Backbone interact. energy: 0.923
local terms energy: -575.459544
where:
bonds (distance) C4'-P energy: -99.454
bonds (distance) P-C4' energy: -97.002
flat angles C4'-P-C4' energy: -136.762
flat angles P-C4'-P energy: -90.492
tors. eta vs tors. theta energy: -151.749
Dist. restrs. and SS energy: 27.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2778.034338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.034338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.014821 (E_RNA)
where:
Base-Base interactions energy: -1937.918
where: short stacking energy: -831.852
Base-Backbone interact. energy: -5.120
local terms energy: -838.977127
where:
bonds (distance) C4'-P energy: -138.466
bonds (distance) P-C4' energy: -144.346
flat angles C4'-P-C4' energy: -187.377
flat angles P-C4'-P energy: -121.576
tors. eta vs tors. theta energy: -247.213
Dist. restrs. and SS energy: 3.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2714.682334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.682334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.139509 (E_RNA)
where:
Base-Base interactions energy: -1910.942
where: short stacking energy: -827.161
Base-Backbone interact. energy: -3.632
local terms energy: -803.565557
where:
bonds (distance) C4'-P energy: -132.385
bonds (distance) P-C4' energy: -141.086
flat angles C4'-P-C4' energy: -164.007
flat angles P-C4'-P energy: -109.988
tors. eta vs tors. theta energy: -256.100
Dist. restrs. and SS energy: 3.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2672.355972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.355972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.867052 (E_RNA)
where:
Base-Base interactions energy: -1871.671
where: short stacking energy: -802.254
Base-Backbone interact. energy: -2.075
local terms energy: -801.120634
where:
bonds (distance) C4'-P energy: -133.730
bonds (distance) P-C4' energy: -133.863
flat angles C4'-P-C4' energy: -164.083
flat angles P-C4'-P energy: -109.695
tors. eta vs tors. theta energy: -259.749
Dist. restrs. and SS energy: 2.511 (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: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2583.680308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.680308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.240918 (E_RNA)
where:
Base-Base interactions energy: -1853.242
where: short stacking energy: -740.236
Base-Backbone interact. energy: 2.127
local terms energy: -742.126339
where:
bonds (distance) C4'-P energy: -120.898
bonds (distance) P-C4' energy: -128.516
flat angles C4'-P-C4' energy: -155.513
flat angles P-C4'-P energy: -112.286
tors. eta vs tors. theta energy: -224.914
Dist. restrs. and SS energy: 9.561 (S_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: 493
Temperature: 1.100000
Total energy: -2440.340910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.340910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.712139 (E_RNA)
where:
Base-Base interactions energy: -1723.810
where: short stacking energy: -745.516
Base-Backbone interact. energy: -2.426
local terms energy: -719.475687
where:
bonds (distance) C4'-P energy: -118.086
bonds (distance) P-C4' energy: -123.481
flat angles C4'-P-C4' energy: -163.689
flat angles P-C4'-P energy: -97.112
tors. eta vs tors. theta energy: -217.109
Dist. restrs. and SS energy: 5.371 (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: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2379.642689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.642689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.280273 (E_RNA)
where:
Base-Base interactions energy: -1671.387
where: short stacking energy: -702.792
Base-Backbone interact. energy: -2.570
local terms energy: -711.323173
where:
bonds (distance) C4'-P energy: -138.319
bonds (distance) P-C4' energy: -134.484
flat angles C4'-P-C4' energy: -162.512
flat angles P-C4'-P energy: -75.075
tors. eta vs tors. theta energy: -200.934
Dist. restrs. and SS energy: 5.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2294.139542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.139542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.605312 (E_RNA)
where:
Base-Base interactions energy: -1600.545
where: short stacking energy: -657.257
Base-Backbone interact. energy: -0.594
local terms energy: -705.465887
where:
bonds (distance) C4'-P energy: -124.136
bonds (distance) P-C4' energy: -134.816
flat angles C4'-P-C4' energy: -145.152
flat angles P-C4'-P energy: -95.394
tors. eta vs tors. theta energy: -205.967
Dist. restrs. and SS energy: 12.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -2163.290058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.290058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.637535 (E_RNA)
where:
Base-Base interactions energy: -1554.521
where: short stacking energy: -633.804
Base-Backbone interact. energy: -4.339
local terms energy: -613.777306
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -107.275
flat angles C4'-P-C4' energy: -133.517
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -187.734
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -2154.590412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.590412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.829366 (E_RNA)
where:
Base-Base interactions energy: -1521.151
where: short stacking energy: -623.249
Base-Backbone interact. energy: 0.081
local terms energy: -638.758729
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -107.332
flat angles C4'-P-C4' energy: -146.612
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -189.200
Dist. restrs. and SS energy: 5.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1844.698843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.698843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.116479 (E_RNA)
where:
Base-Base interactions energy: -1327.592
where: short stacking energy: -558.496
Base-Backbone interact. energy: -3.092
local terms energy: -539.432880
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -109.383
flat angles C4'-P-C4' energy: -116.092
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -151.858
Dist. restrs. and SS energy: 25.418 (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: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2750.384983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.384983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.708270 (E_RNA)
where:
Base-Base interactions energy: -1918.529
where: short stacking energy: -819.179
Base-Backbone interact. energy: -2.977
local terms energy: -832.201791
where:
bonds (distance) C4'-P energy: -149.821
bonds (distance) P-C4' energy: -145.282
flat angles C4'-P-C4' energy: -173.460
flat angles P-C4'-P energy: -116.927
tors. eta vs tors. theta energy: -246.713
Dist. restrs. and SS energy: 3.323 (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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2677.604181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.604181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.170434 (E_RNA)
where:
Base-Base interactions energy: -1889.257
where: short stacking energy: -815.339
Base-Backbone interact. energy: -0.964
local terms energy: -788.948968
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -136.221
flat angles C4'-P-C4' energy: -178.939
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -247.005
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2649.322708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.322708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.267007 (E_RNA)
where:
Base-Base interactions energy: -1881.343
where: short stacking energy: -804.347
Base-Backbone interact. energy: 4.831
local terms energy: -776.754742
where:
bonds (distance) C4'-P energy: -122.051
bonds (distance) P-C4' energy: -128.737
flat angles C4'-P-C4' energy: -167.582
flat angles P-C4'-P energy: -113.626
tors. eta vs tors. theta energy: -244.758
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: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2561.862307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.862307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.309424 (E_RNA)
where:
Base-Base interactions energy: -1814.911
where: short stacking energy: -735.735
Base-Backbone interact. energy: -4.380
local terms energy: -747.018294
where:
bonds (distance) C4'-P energy: -115.397
bonds (distance) P-C4' energy: -136.397
flat angles C4'-P-C4' energy: -157.585
flat angles P-C4'-P energy: -112.629
tors. eta vs tors. theta energy: -225.010
Dist. restrs. and SS energy: 4.447 (S_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: 494
Temperature: 1.100000
Total energy: -2435.399621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.399621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.066339 (E_RNA)
where:
Base-Base interactions energy: -1712.432
where: short stacking energy: -727.531
Base-Backbone interact. energy: 1.616
local terms energy: -732.249690
where:
bonds (distance) C4'-P energy: -133.992
bonds (distance) P-C4' energy: -130.483
flat angles C4'-P-C4' energy: -157.984
flat angles P-C4'-P energy: -103.189
tors. eta vs tors. theta energy: -206.602
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: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2438.734503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.734503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.242394 (E_RNA)
where:
Base-Base interactions energy: -1714.632
where: short stacking energy: -723.073
Base-Backbone interact. energy: 0.046
local terms energy: -727.656457
where:
bonds (distance) C4'-P energy: -116.552
bonds (distance) P-C4' energy: -120.129
flat angles C4'-P-C4' energy: -159.275
flat angles P-C4'-P energy: -98.297
tors. eta vs tors. theta energy: -233.403
Dist. restrs. and SS energy: 3.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2326.195714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.195714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.661784 (E_RNA)
where:
Base-Base interactions energy: -1645.166
where: short stacking energy: -691.576
Base-Backbone interact. energy: -4.092
local terms energy: -685.403190
where:
bonds (distance) C4'-P energy: -126.649
bonds (distance) P-C4' energy: -124.309
flat angles C4'-P-C4' energy: -139.676
flat angles P-C4'-P energy: -89.315
tors. eta vs tors. theta energy: -205.454
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: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2178.947924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.947924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.818058 (E_RNA)
where:
Base-Base interactions energy: -1545.934
where: short stacking energy: -634.969
Base-Backbone interact. energy: -3.182
local terms energy: -641.702507
where:
bonds (distance) C4'-P energy: -118.386
bonds (distance) P-C4' energy: -121.439
flat angles C4'-P-C4' energy: -133.335
flat angles P-C4'-P energy: -92.847
tors. eta vs tors. theta energy: -175.695
Dist. restrs. and SS energy: 11.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -2137.579115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.579115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.110523 (E_RNA)
where:
Base-Base interactions energy: -1504.829
where: short stacking energy: -631.775
Base-Backbone interact. energy: -0.943
local terms energy: -640.339062
where:
bonds (distance) C4'-P energy: -99.094
bonds (distance) P-C4' energy: -120.306
flat angles C4'-P-C4' energy: -140.829
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -196.802
Dist. restrs. and SS energy: 8.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1848.505378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.505378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.602480 (E_RNA)
where:
Base-Base interactions energy: -1302.634
where: short stacking energy: -508.478
Base-Backbone interact. energy: 4.310
local terms energy: -572.278717
where:
bonds (distance) C4'-P energy: -103.792
bonds (distance) P-C4' energy: -103.019
flat angles C4'-P-C4' energy: -121.601
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -160.669
Dist. restrs. and SS energy: 22.097 (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: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2749.677605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.677605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.659270 (E_RNA)
where:
Base-Base interactions energy: -1922.818
where: short stacking energy: -806.722
Base-Backbone interact. energy: -4.985
local terms energy: -824.855596
where:
bonds (distance) C4'-P energy: -144.251
bonds (distance) P-C4' energy: -140.227
flat angles C4'-P-C4' energy: -173.703
flat angles P-C4'-P energy: -126.640
tors. eta vs tors. theta energy: -240.035
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2704.320306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.320306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.880179 (E_RNA)
where:
Base-Base interactions energy: -1883.908
where: short stacking energy: -800.122
Base-Backbone interact. energy: -0.727
local terms energy: -822.244979
where:
bonds (distance) C4'-P energy: -146.256
bonds (distance) P-C4' energy: -154.362
flat angles C4'-P-C4' energy: -164.785
flat angles P-C4'-P energy: -113.655
tors. eta vs tors. theta energy: -243.187
Dist. restrs. and SS energy: 2.560 (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: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2661.922946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.922946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.747567 (E_RNA)
where:
Base-Base interactions energy: -1861.249
where: short stacking energy: -800.215
Base-Backbone interact. energy: -2.112
local terms energy: -802.386454
where:
bonds (distance) C4'-P energy: -124.505
bonds (distance) P-C4' energy: -154.071
flat angles C4'-P-C4' energy: -155.578
flat angles P-C4'-P energy: -119.237
tors. eta vs tors. theta energy: -248.995
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: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2579.956371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.956371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.798338 (E_RNA)
where:
Base-Base interactions energy: -1820.780
where: short stacking energy: -766.470
Base-Backbone interact. energy: -3.343
local terms energy: -759.674738
where:
bonds (distance) C4'-P energy: -141.078
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -156.284
flat angles P-C4'-P energy: -109.512
tors. eta vs tors. theta energy: -220.539
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2446.375534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.375534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.614468 (E_RNA)
where:
Base-Base interactions energy: -1690.735
where: short stacking energy: -729.999
Base-Backbone interact. energy: -2.809
local terms energy: -761.070892
where:
bonds (distance) C4'-P energy: -133.477
bonds (distance) P-C4' energy: -136.643
flat angles C4'-P-C4' energy: -168.507
flat angles P-C4'-P energy: -112.152
tors. eta vs tors. theta energy: -210.291
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: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2399.786749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.786749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.818032 (E_RNA)
where:
Base-Base interactions energy: -1699.105
where: short stacking energy: -717.362
Base-Backbone interact. energy: 1.623
local terms energy: -707.336112
where:
bonds (distance) C4'-P energy: -120.322
bonds (distance) P-C4' energy: -138.896
flat angles C4'-P-C4' energy: -157.737
flat angles P-C4'-P energy: -90.117
tors. eta vs tors. theta energy: -200.264
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2315.584305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.584305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.635209 (E_RNA)
where:
Base-Base interactions energy: -1626.784
where: short stacking energy: -691.051
Base-Backbone interact. energy: -2.872
local terms energy: -693.978470
where:
bonds (distance) C4'-P energy: -117.001
bonds (distance) P-C4' energy: -130.313
flat angles C4'-P-C4' energy: -147.326
flat angles P-C4'-P energy: -102.518
tors. eta vs tors. theta energy: -196.820
Dist. restrs. and SS energy: 8.051 (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: 495
Temperature: 1.250000
Total energy: -2202.221711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.221711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.648522 (E_RNA)
where:
Base-Base interactions energy: -1540.773
where: short stacking energy: -625.367
Base-Backbone interact. energy: -1.914
local terms energy: -666.961595
where:
bonds (distance) C4'-P energy: -119.189
bonds (distance) P-C4' energy: -122.172
flat angles C4'-P-C4' energy: -144.709
flat angles P-C4'-P energy: -84.133
tors. eta vs tors. theta energy: -196.758
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: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -2167.779456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.779456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.119021 (E_RNA)
where:
Base-Base interactions energy: -1545.848
where: short stacking energy: -656.843
Base-Backbone interact. energy: -0.849
local terms energy: -630.421192
where:
bonds (distance) C4'-P energy: -115.670
bonds (distance) P-C4' energy: -102.608
flat angles C4'-P-C4' energy: -129.033
flat angles P-C4'-P energy: -92.349
tors. eta vs tors. theta energy: -190.761
Dist. restrs. and SS energy: 9.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1837.017525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.017525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.949444 (E_RNA)
where:
Base-Base interactions energy: -1325.062
where: short stacking energy: -532.252
Base-Backbone interact. energy: 2.778
local terms energy: -546.665011
where:
bonds (distance) C4'-P energy: -100.531
bonds (distance) P-C4' energy: -103.407
flat angles C4'-P-C4' energy: -116.029
flat angles P-C4'-P energy: -78.296
tors. eta vs tors. theta energy: -148.402
Dist. restrs. and SS energy: 31.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2778.731613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.731613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.131143 (E_RNA)
where:
Base-Base interactions energy: -1966.545
where: short stacking energy: -850.896
Base-Backbone interact. energy: -0.462
local terms energy: -814.124333
where:
bonds (distance) C4'-P energy: -153.010
bonds (distance) P-C4' energy: -138.320
flat angles C4'-P-C4' energy: -166.538
flat angles P-C4'-P energy: -118.038
tors. eta vs tors. theta energy: -238.218
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2692.125458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.125458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.824409 (E_RNA)
where:
Base-Base interactions energy: -1906.414
where: short stacking energy: -802.210
Base-Backbone interact. energy: -0.552
local terms energy: -791.858610
where:
bonds (distance) C4'-P energy: -136.424
bonds (distance) P-C4' energy: -148.723
flat angles C4'-P-C4' energy: -171.489
flat angles P-C4'-P energy: -103.032
tors. eta vs tors. theta energy: -232.191
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: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2671.930158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.863907 (E_RNA)
where:
Base-Base interactions energy: -1861.851
where: short stacking energy: -794.348
Base-Backbone interact. energy: -2.182
local terms energy: -811.831299
where:
bonds (distance) C4'-P energy: -145.134
bonds (distance) P-C4' energy: -146.131
flat angles C4'-P-C4' energy: -153.690
flat angles P-C4'-P energy: -113.458
tors. eta vs tors. theta energy: -253.418
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: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2567.745993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.745993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.299654 (E_RNA)
where:
Base-Base interactions energy: -1817.209
where: short stacking energy: -766.216
Base-Backbone interact. energy: 1.534
local terms energy: -755.624104
where:
bonds (distance) C4'-P energy: -125.032
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -113.372
tors. eta vs tors. theta energy: -227.136
Dist. restrs. and SS energy: 3.554 (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: 496
Temperature: 1.100000
Total energy: -2443.997452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.997452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.177006 (E_RNA)
where:
Base-Base interactions energy: -1724.653
where: short stacking energy: -730.163
Base-Backbone interact. energy: -3.281
local terms energy: -719.243326
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -130.042
flat angles C4'-P-C4' energy: -158.716
flat angles P-C4'-P energy: -103.247
tors. eta vs tors. theta energy: -206.102
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2398.799856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.799856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.929244 (E_RNA)
where:
Base-Base interactions energy: -1704.169
where: short stacking energy: -702.879
Base-Backbone interact. energy: -2.205
local terms energy: -698.555792
where:
bonds (distance) C4'-P energy: -119.372
bonds (distance) P-C4' energy: -118.087
flat angles C4'-P-C4' energy: -155.775
flat angles P-C4'-P energy: -98.418
tors. eta vs tors. theta energy: -206.905
Dist. restrs. and SS energy: 6.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2314.615991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.615991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.813851 (E_RNA)
where:
Base-Base interactions energy: -1616.436
where: short stacking energy: -686.392
Base-Backbone interact. energy: -1.442
local terms energy: -705.936145
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -127.945
flat angles C4'-P-C4' energy: -148.619
flat angles P-C4'-P energy: -99.122
tors. eta vs tors. theta energy: -210.383
Dist. restrs. and SS energy: 9.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2181.092622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.092622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.305811 (E_RNA)
where:
Base-Base interactions energy: -1529.275
where: short stacking energy: -624.994
Base-Backbone interact. energy: 0.160
local terms energy: -658.190402
where:
bonds (distance) C4'-P energy: -107.417
bonds (distance) P-C4' energy: -126.373
flat angles C4'-P-C4' energy: -144.402
flat angles P-C4'-P energy: -88.282
tors. eta vs tors. theta energy: -191.717
Dist. restrs. and SS energy: 6.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -2192.412405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.412405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.059459 (E_RNA)
where:
Base-Base interactions energy: -1560.696
where: short stacking energy: -628.808
Base-Backbone interact. energy: -1.600
local terms energy: -637.763336
where:
bonds (distance) C4'-P energy: -106.033
bonds (distance) P-C4' energy: -121.866
flat angles C4'-P-C4' energy: -125.829
flat angles P-C4'-P energy: -85.898
tors. eta vs tors. theta energy: -198.138
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: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1882.141783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.141783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.621233 (E_RNA)
where:
Base-Base interactions energy: -1324.989
where: short stacking energy: -548.917
Base-Backbone interact. energy: 6.661
local terms energy: -585.293787
where:
bonds (distance) C4'-P energy: -112.138
bonds (distance) P-C4' energy: -117.277
flat angles C4'-P-C4' energy: -125.672
flat angles P-C4'-P energy: -78.455
tors. eta vs tors. theta energy: -151.752
Dist. restrs. and SS energy: 21.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2743.900776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.900776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.781447 (E_RNA)
where:
Base-Base interactions energy: -1942.966
where: short stacking energy: -820.311
Base-Backbone interact. energy: -0.450
local terms energy: -803.364733
where:
bonds (distance) C4'-P energy: -139.166
bonds (distance) P-C4' energy: -137.249
flat angles C4'-P-C4' energy: -161.557
flat angles P-C4'-P energy: -117.345
tors. eta vs tors. theta energy: -248.048
Dist. restrs. and SS energy: 2.881 (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: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2713.834646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.834646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.666152 (E_RNA)
where:
Base-Base interactions energy: -1913.041
where: short stacking energy: -784.460
Base-Backbone interact. energy: 0.027
local terms energy: -804.651600
where:
bonds (distance) C4'-P energy: -125.602
bonds (distance) P-C4' energy: -147.433
flat angles C4'-P-C4' energy: -177.426
flat angles P-C4'-P energy: -117.707
tors. eta vs tors. theta energy: -236.483
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2660.434145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.434145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.666678 (E_RNA)
where:
Base-Base interactions energy: -1873.191
where: short stacking energy: -794.325
Base-Backbone interact. energy: -2.990
local terms energy: -786.486381
where:
bonds (distance) C4'-P energy: -132.221
bonds (distance) P-C4' energy: -140.683
flat angles C4'-P-C4' energy: -164.800
flat angles P-C4'-P energy: -111.145
tors. eta vs tors. theta energy: -237.638
Dist. restrs. and SS energy: 2.233 (S_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: 497
Temperature: 1.050000
Total energy: -2597.448630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.448630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.570901 (E_RNA)
where:
Base-Base interactions energy: -1828.015
where: short stacking energy: -751.481
Base-Backbone interact. energy: -5.253
local terms energy: -768.302675
where:
bonds (distance) C4'-P energy: -120.379
bonds (distance) P-C4' energy: -148.452
flat angles C4'-P-C4' energy: -158.799
flat angles P-C4'-P energy: -117.146
tors. eta vs tors. theta energy: -223.527
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2461.723892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.723892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.256380 (E_RNA)
where:
Base-Base interactions energy: -1710.713
where: short stacking energy: -724.284
Base-Backbone interact. energy: -6.471
local terms energy: -749.071651
where:
bonds (distance) C4'-P energy: -128.761
bonds (distance) P-C4' energy: -130.627
flat angles C4'-P-C4' energy: -155.650
flat angles P-C4'-P energy: -110.274
tors. eta vs tors. theta energy: -223.761
Dist. restrs. and SS energy: 4.532 (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: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2361.916889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.916889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.855132 (E_RNA)
where:
Base-Base interactions energy: -1648.929
where: short stacking energy: -701.119
Base-Backbone interact. energy: -1.846
local terms energy: -720.079924
where:
bonds (distance) C4'-P energy: -119.969
bonds (distance) P-C4' energy: -123.676
flat angles C4'-P-C4' energy: -153.338
flat angles P-C4'-P energy: -105.431
tors. eta vs tors. theta energy: -217.666
Dist. restrs. and SS energy: 8.938 (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: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2339.630436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.630436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.926118 (E_RNA)
where:
Base-Base interactions energy: -1672.543
where: short stacking energy: -685.168
Base-Backbone interact. energy: -0.861
local terms energy: -672.522018
where:
bonds (distance) C4'-P energy: -129.055
bonds (distance) P-C4' energy: -109.599
flat angles C4'-P-C4' energy: -153.917
flat angles P-C4'-P energy: -79.201
tors. eta vs tors. theta energy: -200.750
Dist. restrs. and SS energy: 6.296 (S_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: 497
Temperature: 1.250000
Total energy: -2238.448151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.448151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.201240 (E_RNA)
where:
Base-Base interactions energy: -1578.600
where: short stacking energy: -652.457
Base-Backbone interact. energy: 3.095
local terms energy: -673.696219
where:
bonds (distance) C4'-P energy: -137.643
bonds (distance) P-C4' energy: -100.523
flat angles C4'-P-C4' energy: -145.645
flat angles P-C4'-P energy: -95.433
tors. eta vs tors. theta energy: -194.452
Dist. restrs. and SS energy: 10.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -2110.975926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.975926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.123735 (E_RNA)
where:
Base-Base interactions energy: -1497.598
where: short stacking energy: -607.867
Base-Backbone interact. energy: -2.478
local terms energy: -625.047539
where:
bonds (distance) C4'-P energy: -97.918
bonds (distance) P-C4' energy: -131.572
flat angles C4'-P-C4' energy: -134.157
flat angles P-C4'-P energy: -81.618
tors. eta vs tors. theta energy: -179.782
Dist. restrs. and SS energy: 14.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1863.449376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.449376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.466055 (E_RNA)
where:
Base-Base interactions energy: -1340.881
where: short stacking energy: -541.108
Base-Backbone interact. energy: 6.694
local terms energy: -559.278905
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -122.107
flat angles P-C4'-P energy: -85.402
tors. eta vs tors. theta energy: -140.761
Dist. restrs. and SS energy: 30.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2745.993720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.993720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.113179 (E_RNA)
where:
Base-Base interactions energy: -1907.156
where: short stacking energy: -830.455
Base-Backbone interact. energy: 3.401
local terms energy: -845.358071
where:
bonds (distance) C4'-P energy: -140.880
bonds (distance) P-C4' energy: -151.203
flat angles C4'-P-C4' energy: -175.244
flat angles P-C4'-P energy: -128.225
tors. eta vs tors. theta energy: -249.805
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2662.084852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.084852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.104691 (E_RNA)
where:
Base-Base interactions energy: -1876.870
where: short stacking energy: -801.253
Base-Backbone interact. energy: -2.627
local terms energy: -789.607556
where:
bonds (distance) C4'-P energy: -128.120
bonds (distance) P-C4' energy: -149.107
flat angles C4'-P-C4' energy: -150.387
flat angles P-C4'-P energy: -122.366
tors. eta vs tors. theta energy: -239.628
Dist. restrs. and SS energy: 7.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2626.478002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.478002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.134215 (E_RNA)
where:
Base-Base interactions energy: -1864.200
where: short stacking energy: -762.751
Base-Backbone interact. energy: 1.204
local terms energy: -767.138949
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -154.596
flat angles C4'-P-C4' energy: -159.515
flat angles P-C4'-P energy: -97.420
tors. eta vs tors. theta energy: -220.567
Dist. restrs. and SS energy: 3.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2630.174808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.174808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.722064 (E_RNA)
where:
Base-Base interactions energy: -1820.524
where: short stacking energy: -782.380
Base-Backbone interact. energy: -2.733
local terms energy: -810.464544
where:
bonds (distance) C4'-P energy: -130.793
bonds (distance) P-C4' energy: -145.852
flat angles C4'-P-C4' energy: -164.482
flat angles P-C4'-P energy: -118.826
tors. eta vs tors. theta energy: -250.512
Dist. restrs. and SS energy: 3.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2469.856209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.856209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.944892 (E_RNA)
where:
Base-Base interactions energy: -1719.824
where: short stacking energy: -751.190
Base-Backbone interact. energy: 2.709
local terms energy: -756.829681
where:
bonds (distance) C4'-P energy: -125.476
bonds (distance) P-C4' energy: -137.272
flat angles C4'-P-C4' energy: -156.032
flat angles P-C4'-P energy: -110.346
tors. eta vs tors. theta energy: -227.703
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: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2381.540412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.540412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.955666 (E_RNA)
where:
Base-Base interactions energy: -1684.667
where: short stacking energy: -713.216
Base-Backbone interact. energy: 0.173
local terms energy: -702.462453
where:
bonds (distance) C4'-P energy: -127.531
bonds (distance) P-C4' energy: -132.067
flat angles C4'-P-C4' energy: -130.216
flat angles P-C4'-P energy: -96.905
tors. eta vs tors. theta energy: -215.744
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: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2348.858119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.858119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.179736 (E_RNA)
where:
Base-Base interactions energy: -1691.353
where: short stacking energy: -704.015
Base-Backbone interact. energy: -5.924
local terms energy: -656.902753
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -120.814
flat angles C4'-P-C4' energy: -137.726
flat angles P-C4'-P energy: -80.203
tors. eta vs tors. theta energy: -200.991
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: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -2180.118992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.118992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.262871 (E_RNA)
where:
Base-Base interactions energy: -1552.646
where: short stacking energy: -650.157
Base-Backbone interact. energy: 1.281
local terms energy: -641.897564
where:
bonds (distance) C4'-P energy: -116.819
bonds (distance) P-C4' energy: -120.623
flat angles C4'-P-C4' energy: -127.238
flat angles P-C4'-P energy: -80.194
tors. eta vs tors. theta energy: -197.023
Dist. restrs. and SS energy: 13.144 (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: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -2113.911464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.911464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.895223 (E_RNA)
where:
Base-Base interactions energy: -1505.086
where: short stacking energy: -619.217
Base-Backbone interact. energy: -3.939
local terms energy: -622.870953
where:
bonds (distance) C4'-P energy: -122.881
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -127.425
flat angles P-C4'-P energy: -80.246
tors. eta vs tors. theta energy: -183.539
Dist. restrs. and SS energy: 17.984 (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: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1882.385288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.385288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.785344 (E_RNA)
where:
Base-Base interactions energy: -1338.750
where: short stacking energy: -540.040
Base-Backbone interact. energy: -1.059
local terms energy: -563.976264
where:
bonds (distance) C4'-P energy: -122.644
bonds (distance) P-C4' energy: -104.211
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -77.077
tors. eta vs tors. theta energy: -143.682
Dist. restrs. and SS energy: 21.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2741.300951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.300951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.646357 (E_RNA)
where:
Base-Base interactions energy: -1904.271
where: short stacking energy: -792.425
Base-Backbone interact. energy: -2.935
local terms energy: -838.439885
where:
bonds (distance) C4'-P energy: -160.134
bonds (distance) P-C4' energy: -150.870
flat angles C4'-P-C4' energy: -174.493
flat angles P-C4'-P energy: -114.770
tors. eta vs tors. theta energy: -238.174
Dist. restrs. and SS energy: 4.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2674.445398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.445398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.593228 (E_RNA)
where:
Base-Base interactions energy: -1888.175
where: short stacking energy: -791.987
Base-Backbone interact. energy: -2.458
local terms energy: -786.959674
where:
bonds (distance) C4'-P energy: -136.209
bonds (distance) P-C4' energy: -138.520
flat angles C4'-P-C4' energy: -164.834
flat angles P-C4'-P energy: -109.444
tors. eta vs tors. theta energy: -237.954
Dist. restrs. and SS energy: 3.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2615.779607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.779607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.473569 (E_RNA)
where:
Base-Base interactions energy: -1833.609
where: short stacking energy: -743.793
Base-Backbone interact. energy: -4.959
local terms energy: -779.905307
where:
bonds (distance) C4'-P energy: -133.479
bonds (distance) P-C4' energy: -150.631
flat angles C4'-P-C4' energy: -182.664
flat angles P-C4'-P energy: -96.546
tors. eta vs tors. theta energy: -216.586
Dist. restrs. and SS energy: 2.694 (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: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2609.315548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.315548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.433954 (E_RNA)
where:
Base-Base interactions energy: -1829.373
where: short stacking energy: -797.089
Base-Backbone interact. energy: -1.432
local terms energy: -782.629152
where:
bonds (distance) C4'-P energy: -138.376
bonds (distance) P-C4' energy: -137.534
flat angles C4'-P-C4' energy: -158.564
flat angles P-C4'-P energy: -103.559
tors. eta vs tors. theta energy: -244.596
Dist. restrs. and SS energy: 4.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2463.171535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.171535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.227903 (E_RNA)
where:
Base-Base interactions energy: -1747.628
where: short stacking energy: -734.274
Base-Backbone interact. energy: -4.755
local terms energy: -715.845163
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -127.933
flat angles C4'-P-C4' energy: -145.965
flat angles P-C4'-P energy: -104.275
tors. eta vs tors. theta energy: -216.280
Dist. restrs. and SS energy: 5.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2437.978676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.978676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.326726 (E_RNA)
where:
Base-Base interactions energy: -1720.782
where: short stacking energy: -725.609
Base-Backbone interact. energy: -1.746
local terms energy: -718.798633
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -129.641
flat angles C4'-P-C4' energy: -158.603
flat angles P-C4'-P energy: -104.974
tors. eta vs tors. theta energy: -220.940
Dist. restrs. and SS energy: 3.348 (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: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2314.270437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.270437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.280035 (E_RNA)
where:
Base-Base interactions energy: -1645.574
where: short stacking energy: -692.375
Base-Backbone interact. energy: 0.505
local terms energy: -678.210749
where:
bonds (distance) C4'-P energy: -116.605
bonds (distance) P-C4' energy: -125.091
flat angles C4'-P-C4' energy: -146.553
flat angles P-C4'-P energy: -90.831
tors. eta vs tors. theta energy: -199.132
Dist. restrs. and SS energy: 9.010 (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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2194.347113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.347113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.729066 (E_RNA)
where:
Base-Base interactions energy: -1548.161
where: short stacking energy: -621.276
Base-Backbone interact. energy: -1.025
local terms energy: -654.543125
where:
bonds (distance) C4'-P energy: -129.509
bonds (distance) P-C4' energy: -131.619
flat angles C4'-P-C4' energy: -131.232
flat angles P-C4'-P energy: -77.895
tors. eta vs tors. theta energy: -184.289
Dist. restrs. and SS energy: 9.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -2073.826640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.826640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.587017 (E_RNA)
where:
Base-Base interactions energy: -1491.822
where: short stacking energy: -604.553
Base-Backbone interact. energy: -4.531
local terms energy: -596.233748
where:
bonds (distance) C4'-P energy: -100.968
bonds (distance) P-C4' energy: -97.501
flat angles C4'-P-C4' energy: -133.948
flat angles P-C4'-P energy: -85.170
tors. eta vs tors. theta energy: -178.646
Dist. restrs. and SS energy: 18.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1877.941694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.941694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.564417 (E_RNA)
where:
Base-Base interactions energy: -1338.526
where: short stacking energy: -573.293
Base-Backbone interact. energy: -1.682
local terms energy: -566.355861
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -108.086
flat angles C4'-P-C4' energy: -140.842
flat angles P-C4'-P energy: -82.205
tors. eta vs tors. theta energy: -143.472
Dist. restrs. and SS energy: 28.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2745.455835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.455835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.715369 (E_RNA)
where:
Base-Base interactions energy: -1908.863
where: short stacking energy: -813.436
Base-Backbone interact. energy: -4.149
local terms energy: -836.702909
where:
bonds (distance) C4'-P energy: -125.433
bonds (distance) P-C4' energy: -161.981
flat angles C4'-P-C4' energy: -173.162
flat angles P-C4'-P energy: -130.325
tors. eta vs tors. theta energy: -245.801
Dist. restrs. and SS energy: 4.260 (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: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2678.467343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.467343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.525932 (E_RNA)
where:
Base-Base interactions energy: -1887.371
where: short stacking energy: -759.523
Base-Backbone interact. energy: -3.084
local terms energy: -792.070968
where:
bonds (distance) C4'-P energy: -137.138
bonds (distance) P-C4' energy: -141.196
flat angles C4'-P-C4' energy: -176.714
flat angles P-C4'-P energy: -111.021
tors. eta vs tors. theta energy: -226.001
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: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2645.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.865306 (E_RNA)
where:
Base-Base interactions energy: -1867.200
where: short stacking energy: -803.969
Base-Backbone interact. energy: 2.884
local terms energy: -783.549279
where:
bonds (distance) C4'-P energy: -112.850
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -158.330
flat angles P-C4'-P energy: -118.311
tors. eta vs tors. theta energy: -243.772
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2572.358616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.358616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.063382 (E_RNA)
where:
Base-Base interactions energy: -1804.661
where: short stacking energy: -745.530
Base-Backbone interact. energy: -1.718
local terms energy: -769.684436
where:
bonds (distance) C4'-P energy: -147.730
bonds (distance) P-C4' energy: -139.994
flat angles C4'-P-C4' energy: -162.174
flat angles P-C4'-P energy: -101.999
tors. eta vs tors. theta energy: -217.787
Dist. restrs. and SS energy: 3.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2477.894452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.894452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.473697 (E_RNA)
where:
Base-Base interactions energy: -1779.982
where: short stacking energy: -729.982
Base-Backbone interact. energy: -3.393
local terms energy: -698.098742
where:
bonds (distance) C4'-P energy: -133.497
bonds (distance) P-C4' energy: -113.467
flat angles C4'-P-C4' energy: -135.856
flat angles P-C4'-P energy: -89.094
tors. eta vs tors. theta energy: -226.184
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: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2419.990681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.990681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.439613 (E_RNA)
where:
Base-Base interactions energy: -1706.704
where: short stacking energy: -727.141
Base-Backbone interact. energy: -3.659
local terms energy: -714.076801
where:
bonds (distance) C4'-P energy: -113.865
bonds (distance) P-C4' energy: -121.144
flat angles C4'-P-C4' energy: -155.093
flat angles P-C4'-P energy: -106.429
tors. eta vs tors. theta energy: -217.546
Dist. restrs. and SS energy: 4.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2288.253922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.253922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.161812 (E_RNA)
where:
Base-Base interactions energy: -1649.281
where: short stacking energy: -684.576
Base-Backbone interact. energy: 3.995
local terms energy: -650.875516
where:
bonds (distance) C4'-P energy: -121.047
bonds (distance) P-C4' energy: -116.000
flat angles C4'-P-C4' energy: -143.541
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -181.352
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: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2216.226331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.226331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.569718 (E_RNA)
where:
Base-Base interactions energy: -1567.942
where: short stacking energy: -658.641
Base-Backbone interact. energy: -1.736
local terms energy: -660.892286
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -121.136
flat angles C4'-P-C4' energy: -133.574
flat angles P-C4'-P energy: -95.541
tors. eta vs tors. theta energy: -195.702
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: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -2087.112634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.112634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.279475 (E_RNA)
where:
Base-Base interactions energy: -1491.416
where: short stacking energy: -619.317
Base-Backbone interact. energy: 7.147
local terms energy: -611.010350
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -120.582
flat angles C4'-P-C4' energy: -130.348
flat angles P-C4'-P energy: -67.761
tors. eta vs tors. theta energy: -172.530
Dist. restrs. and SS energy: 8.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1902.148893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.148893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.764288 (E_RNA)
where:
Base-Base interactions energy: -1372.905
where: short stacking energy: -550.463
Base-Backbone interact. energy: -5.138
local terms energy: -563.721575
where:
bonds (distance) C4'-P energy: -97.153
bonds (distance) P-C4' energy: -121.154
flat angles C4'-P-C4' energy: -102.600
flat angles P-C4'-P energy: -71.879
tors. eta vs tors. theta energy: -170.935
Dist. restrs. and SS energy: 39.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/Snord17-7117432f_01
DONE
DONE